#------------------------------------------------------------------------------
#$Date: 2022-07-29 01:53:17 +0300 (Fri, 29 Jul 2022) $
#$Revision: 276987 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/08/7710836.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7710836
loop_
_publ_author_name
'Jiang, Wen'
'Zhang, Lijun'
'Zhang, Lixin'
_publ_section_title
;
 Reactivity of Mixed Methyl-Aminobenzyl Guanidinate Lutetium Complex
 towards iPrN=C=NiPr, CS2 and Ph2PH
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02008D
_journal_year                    2022
_chemical_formula_sum            'C123 H145 Lu2 N6 O2 P3'
_chemical_formula_weight         2182.29
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2022-01-10 deposited with the CCDC.	2022-07-28 downloaded from the CCDC.
;
_cell_angle_alpha                96.866(2)
_cell_angle_beta                 92.540(2)
_cell_angle_gamma                117.586(2)
_cell_formula_units_Z            2
_cell_length_a                   16.9768(7)
_cell_length_b                   18.2805(7)
_cell_length_c                   20.4588(8)
_cell_measurement_reflns_used    9957
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      54.83
_cell_measurement_theta_min      3.02
_cell_volume                     5551.2(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.0452
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            70607
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.904
_diffrn_reflns_theta_min         3.137
_exptl_absorpt_coefficient_mu    2.713
_exptl_absorpt_correction_T_max  0.544
_exptl_absorpt_correction_T_min  0.388
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_description       block
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.243
_refine_diff_density_min         -0.838
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       0.00156(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1422
_refine_ls_number_reflns         20964
_refine_ls_number_restraints     400
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0698
_refine_ls_R_factor_gt           0.0552
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0658P)²+12.5079P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1483
_refine_ls_wR_factor_ref         0.1566
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16881
_reflns_number_total             20964
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02008d2.cif
_cod_data_source_block           ga_90909b_a
_cod_original_cell_volume        5551.1(4)
_cod_database_code               7710836
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.497
_shelx_estimated_absorpt_t_max   0.773
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Lu1 Lu 0.27415(2) 0.40636(2) 0.75328(2) 0.02166(10) Uani 1 1 d . U . . .
Lu2 Lu 0.32674(2) 0.24243(2) 0.71013(2) 0.02839(11) Uani 1 1 d . . . . .
N1 N 0.3041(2) 0.5031(2) 0.6829(2) 0.0442(9) Uani 1 1 d . . . . .
N2 N 0.1639(2) 0.4272(2) 0.70401(19) 0.0435(9) Uani 1 1 d . . . . .
N3 N 0.1911(3) 0.5346(2) 0.6370(2) 0.0454(9) Uani 1 1 d . . . . .
N4 N 0.4268(3) 0.2036(2) 0.7544(2) 0.0448(9) Uani 1 1 d . . . . .
N5 N 0.2820(3) 0.1098(3) 0.7327(2) 0.0516(10) Uani 1 1 d . . . . .
N6 N 0.3846(3) 0.0579(3) 0.7560(2) 0.0502(10) Uani 1 1 d . . . . .
O1 O 0.3846(2) 0.3802(2) 0.73272(19) 0.0569(9) Uani 1 1 d . . . . .
O2 O 0.2175(2) 0.2702(2) 0.73590(18) 0.0523(8) Uani 1 1 d . . . . .
P1 P 0.31098(11) 0.47810(10) 0.88478(7) 0.0610(4) Uani 1 1 d . . . . .
P2 P 0.82204(9) 0.59199(9) 0.75940(7) 0.0555(3) Uani 1 1 d . . . . .
C1 C 0.3244(5) 0.2137(4) 0.5962(3) 0.0723(17) Uani 1 1 d . . . . .
H1A H 0.268265 0.206455 0.574203 0.109 Uiso 1 1 calc R U . . .
H1B H 0.329105 0.162317 0.585021 0.109 Uiso 1 1 calc R U . . .
H1C H 0.374949 0.260212 0.581365 0.109 Uiso 1 1 calc R U . . .
C2 C 0.2559(4) 0.5357(4) 0.9200(3) 0.0583(14) Uani 1 1 d . . . . .
C3 C 0.2264(4) 0.5303(4) 0.9836(3) 0.0666(16) Uani 1 1 d . . . . .
H3 H 0.235379 0.494981 1.010097 0.080 Uiso 1 1 calc R U . . .
C4 C 0.1842(4) 0.5760(4) 1.0080(3) 0.0751(18) Uani 1 1 d . . . . .
H4 H 0.163793 0.570177 1.050491 0.090 Uiso 1 1 calc R U . . .
C5 C 0.1715(5) 0.6288(5) 0.9723(4) 0.083(2) Uani 1 1 d . . . . .
H5 H 0.142739 0.659619 0.989337 0.100 Uiso 1 1 calc R U . . .
C6 C 0.2019(5) 0.6363(4) 0.9101(4) 0.083(2) Uani 1 1 d . . . . .
H6 H 0.193880 0.672929 0.884589 0.100 Uiso 1 1 calc R U . . .
C7 C 0.2429(4) 0.5922(4) 0.8853(3) 0.0677(16) Uani 1 1 d . . . . .
H7 H 0.263652 0.599732 0.843030 0.081 Uiso 1 1 calc R U . . .
C8 C 0.3041(4) 0.4122(4) 0.9476(3) 0.0594(14) Uani 1 1 d . . . . .
C9 C 0.3786(5) 0.4326(5) 0.9882(3) 0.083(2) Uani 1 1 d . . . . .
H9 H 0.432860 0.479426 0.982152 0.099 Uiso 1 1 calc R U . . .
C10 C 0.3791(7) 0.3882(8) 1.0382(4) 0.115(3) Uani 1 1 d . . . . .
H10 H 0.433477 0.403319 1.064555 0.138 Uiso 1 1 calc R U . . .
C11 C 0.3020(8) 0.3230(6) 1.0495(4) 0.098(3) Uani 1 1 d . . . . .
H11 H 0.301346 0.292310 1.083970 0.117 Uiso 1 1 calc R U . . .
C12 C 0.2270(8) 0.3030(6) 1.0114(5) 0.128(4) Uani 1 1 d . . . . .
H12 H 0.172724 0.257133 1.018810 0.153 Uiso 1 1 calc R U . . .
C13 C 0.2262(6) 0.3471(5) 0.9612(5) 0.121(4) Uani 1 1 d . . . . .
H13 H 0.171260 0.332424 0.935822 0.145 Uiso 1 1 calc R U . . .
C14 C 0.2194(3) 0.4900(3) 0.6725(2) 0.0412(10) Uani 1 1 d . . . . .
C15 C 0.3862(3) 0.5616(3) 0.6617(3) 0.0471(11) Uani 1 1 d . . . . .
C16 C 0.4057(3) 0.5463(3) 0.5966(3) 0.0532(12) Uani 1 1 d . . . . .
C17 C 0.4893(4) 0.5983(4) 0.5797(4) 0.0753(18) Uani 1 1 d . . . . .
H17 H 0.503364 0.588825 0.536065 0.090 Uiso 1 1 calc R U . . .
C18 C 0.5528(5) 0.6638(5) 0.6251(4) 0.101(3) Uani 1 1 d . . . . .
H18 H 0.610111 0.698589 0.612669 0.121 Uiso 1 1 calc R U . . .
C19 C 0.5334(4) 0.6787(4) 0.6880(4) 0.0796(19) Uani 1 1 d . . . . .
H19 H 0.577560 0.724009 0.718766 0.095 Uiso 1 1 calc R U . . .
C20 C 0.4500(3) 0.6284(3) 0.7076(3) 0.0563(13) Uani 1 1 d . . . . .
C21 C 0.3384(4) 0.4745(3) 0.5454(3) 0.0555(13) Uani 1 1 d . . . . .
H21 H 0.277583 0.465688 0.554863 0.067 Uiso 1 1 calc R U . . .
C22 C 0.3417(4) 0.3947(4) 0.5526(3) 0.0648(15) Uani 1 1 d . . . . .
H22A H 0.401051 0.401461 0.544748 0.097 Uiso 1 1 calc R U . . .
H22B H 0.296317 0.348696 0.520169 0.097 Uiso 1 1 calc R U . . .
H22C H 0.329759 0.382016 0.597418 0.097 Uiso 1 1 calc R U . . .
C23 C 0.3483(4) 0.4913(4) 0.4738(3) 0.0704(16) Uani 1 1 d . . . . .
H23A H 0.346309 0.543387 0.469919 0.106 Uiso 1 1 calc R U . . .
H23B H 0.299312 0.444944 0.443978 0.106 Uiso 1 1 calc R U . . .
H23C H 0.405619 0.496413 0.461625 0.106 Uiso 1 1 calc R U . . .
C24 C 0.4311(4) 0.6512(3) 0.7765(3) 0.0598(14) Uani 1 1 d . . . . .
H24 H 0.377426 0.601352 0.786852 0.072 Uiso 1 1 calc R U . . .
C25 C 0.5079(5) 0.6738(5) 0.8304(4) 0.092(2) Uani 1 1 d . . . . .
H25A H 0.525281 0.629368 0.826710 0.138 Uiso 1 1 calc R U . . .
H25B H 0.488314 0.679798 0.874134 0.138 Uiso 1 1 calc R U . . .
H25C H 0.559260 0.726571 0.824794 0.138 Uiso 1 1 calc R U . . .
C26 C 0.4076(5) 0.7224(4) 0.7782(4) 0.0806(19) Uani 1 1 d . . . . .
H26A H 0.459535 0.772709 0.769246 0.121 Uiso 1 1 calc R U . . .
H26B H 0.390908 0.733653 0.822076 0.121 Uiso 1 1 calc R U . . .
H26C H 0.357343 0.706597 0.744472 0.121 Uiso 1 1 calc R U . . .
C27 C 0.2510(3) 0.6051(3) 0.6055(3) 0.0490(12) Uani 1 1 d . . . . .
H27A H 0.306989 0.601777 0.600051 0.059 Uiso 1 1 calc R U . . .
H27B H 0.266774 0.657803 0.635464 0.059 Uiso 1 1 calc R U . . .
C28 C 0.2119(3) 0.6084(3) 0.5387(3) 0.0494(12) Uani 1 1 d . . . . .
C29 C 0.2159(4) 0.6827(4) 0.5256(3) 0.0574(13) Uani 1 1 d . . . . .
H29 H 0.238693 0.729814 0.559656 0.069 Uiso 1 1 calc R U . . .
C30 C 0.1866(4) 0.6885(4) 0.4627(3) 0.0683(16) Uani 1 1 d . . . . .
H30 H 0.190295 0.739873 0.454201 0.082 Uiso 1 1 calc R U . . .
C31 C 0.1525(4) 0.6208(4) 0.4128(3) 0.0686(17) Uani 1 1 d . . . . .
H31 H 0.132015 0.625131 0.370191 0.082 Uiso 1 1 calc R U . . .
C32 C 0.1481(4) 0.5466(4) 0.4253(3) 0.0667(15) Uani 1 1 d . . . . .
H32 H 0.125069 0.499625 0.391048 0.080 Uiso 1 1 calc R U . . .
C33 C 0.1773(4) 0.5405(4) 0.4875(3) 0.0610(14) Uani 1 1 d . . . . .
H33 H 0.173679 0.489013 0.495555 0.073 Uiso 1 1 calc R U . . .
C34 C 0.1033(3) 0.5316(3) 0.6430(3) 0.0501(12) Uani 1 1 d . . . . .
H34A H 0.069414 0.489273 0.670987 0.060 Uiso 1 1 calc R U . . .
H34B H 0.068937 0.513868 0.598562 0.060 Uiso 1 1 calc R U . . .
C35 C 0.1112(3) 0.6147(3) 0.6729(3) 0.0509(12) Uani 1 1 d . . . . .
C36 C 0.0677(4) 0.6508(4) 0.6401(3) 0.0595(14) Uani 1 1 d . . . . .
H36 H 0.032878 0.622523 0.598727 0.071 Uiso 1 1 calc R U . . .
C37 C 0.0741(4) 0.7260(4) 0.6662(4) 0.0703(17) Uani 1 1 d . . . . .
H37 H 0.042403 0.748381 0.643394 0.084 Uiso 1 1 calc R U . . .
C38 C 0.1260(5) 0.7696(4) 0.7250(4) 0.0740(17) Uani 1 1 d . . . . .
H38 H 0.131811 0.822576 0.742499 0.089 Uiso 1 1 calc R U . . .
C39 C 0.1708(5) 0.7340(4) 0.7593(4) 0.0775(18) Uani 1 1 d . . . . .
H39 H 0.206794 0.762861 0.800171 0.093 Uiso 1 1 calc R U . . .
C40 C 0.1618(4) 0.6572(4) 0.7328(3) 0.0653(15) Uani 1 1 d . . . . .
H40 H 0.190922 0.633068 0.756269 0.078 Uiso 1 1 calc R U . . .
C41 C 0.0702(3) 0.3713(3) 0.6897(2) 0.0424(10) Uani 1 1 d . . . . .
C42 C 0.0359(3) 0.3114(3) 0.6313(2) 0.0456(11) Uani 1 1 d . . . . .
C43 C -0.0524(3) 0.2484(3) 0.6250(3) 0.0518(12) Uani 1 1 d . . . . .
H43 H -0.075090 0.207135 0.586337 0.062 Uiso 1 1 calc R U . . .
C44 C -0.1075(3) 0.2443(3) 0.6732(3) 0.0551(13) Uani 1 1 d . . . . .
H44 H -0.167184 0.200185 0.668348 0.066 Uiso 1 1 calc R U . . .
C45 C -0.0750(3) 0.3050(3) 0.7289(3) 0.0531(13) Uani 1 1 d . . . . .
H45 H -0.113742 0.303363 0.761479 0.064 Uiso 1 1 calc R U . . .
C46 C 0.0131(3) 0.3685(3) 0.7382(2) 0.0476(11) Uani 1 1 d . . . . .
C47 C 0.0911(3) 0.3132(3) 0.5746(2) 0.0520(12) Uani 1 1 d . . . . .
H47 H 0.151313 0.363271 0.586407 0.062 Uiso 1 1 calc R U . . .
C48 C 0.0490(4) 0.3226(4) 0.5109(3) 0.0655(15) Uani 1 1 d . . . . .
H48A H -0.009217 0.273090 0.497027 0.098 Uiso 1 1 calc R U . . .
H48B H 0.088252 0.328232 0.476005 0.098 Uiso 1 1 calc R U . . .
H48C H 0.040731 0.372439 0.518599 0.098 Uiso 1 1 calc R U . . .
C49 C 0.1047(4) 0.2361(4) 0.5636(3) 0.0666(15) Uani 1 1 d . . . . .
H49A H 0.136410 0.233477 0.603717 0.100 Uiso 1 1 calc R U . . .
H49B H 0.139976 0.239292 0.526381 0.100 Uiso 1 1 calc R U . . .
H49C H 0.046368 0.185808 0.553601 0.100 Uiso 1 1 calc R U . . .
C50 C 0.0421(4) 0.4347(4) 0.7994(3) 0.0631(15) Uani 1 1 d . . . . .
H50 H 0.106693 0.474886 0.798948 0.076 Uiso 1 1 calc R U . . .
C51 C 0.0323(5) 0.3992(5) 0.8638(3) 0.092(2) Uani 1 1 d . . . . .
H51A H -0.030255 0.357854 0.864681 0.138 Uiso 1 1 calc R U . . .
H51B H 0.050466 0.444433 0.901308 0.138 Uiso 1 1 calc R U . . .
H51C H 0.070335 0.372286 0.866847 0.138 Uiso 1 1 calc R U . . .
C52 C -0.0110(5) 0.4843(4) 0.7990(4) 0.081(2) Uani 1 1 d . . . . .
H52A H -0.007167 0.505944 0.757051 0.122 Uiso 1 1 calc R U . . .
H52B H 0.014388 0.530988 0.835889 0.122 Uiso 1 1 calc R U . . .
H52C H -0.073755 0.447354 0.803839 0.122 Uiso 1 1 calc R U . . .
C53 C 0.3665(3) 0.1226(3) 0.7485(2) 0.0433(10) Uani 1 1 d . . . . .
C54 C 0.5220(3) 0.2436(3) 0.7670(2) 0.0438(10) Uani 1 1 d . . . . .
C55 C 0.5604(4) 0.2810(3) 0.8326(3) 0.0520(12) Uani 1 1 d . . . . .
C56 C 0.6518(5) 0.3281(4) 0.8454(4) 0.0795(19) Uani 1 1 d . . . . .
H56 H 0.678101 0.352485 0.889674 0.095 Uiso 1 1 calc R U . . .
C57 C 0.7066(5) 0.3409(5) 0.7947(5) 0.096(2) Uani 1 1 d . . . . .
H57 H 0.769602 0.374009 0.804112 0.115 Uiso 1 1 calc R U . . .
C58 C 0.6687(4) 0.3055(5) 0.7316(4) 0.084(2) Uani 1 1 d . . . . .
H58 H 0.706208 0.315631 0.696997 0.101 Uiso 1 1 calc R U . . .
C59 C 0.5763(4) 0.2545(4) 0.7156(3) 0.0599(14) Uani 1 1 d . . . . .
C60 C 0.5037(5) 0.2703(4) 0.8893(3) 0.0683(16) Uani 1 1 d . . . . .
H60 H 0.441560 0.226021 0.872124 0.082 Uiso 1 1 calc R U . . .
C61 C 0.5347(6) 0.2422(6) 0.9486(4) 0.111(3) Uani 1 1 d . . . . .
H61A H 0.540869 0.192418 0.933167 0.167 Uiso 1 1 calc R U . . .
H61B H 0.490493 0.228923 0.980476 0.167 Uiso 1 1 calc R U . . .
H61C H 0.592537 0.287218 0.969963 0.167 Uiso 1 1 calc R U . . .
C62 C 0.4993(11) 0.3480(7) 0.9114(6) 0.177(5) Uani 1 1 d . U . . .
H62A H 0.559729 0.395492 0.917916 0.266 Uiso 1 1 calc R U . . .
H62B H 0.472721 0.343990 0.953273 0.266 Uiso 1 1 calc R U . . .
H62C H 0.462383 0.356074 0.877740 0.266 Uiso 1 1 calc R U . . .
C63 C 0.5401(5) 0.2144(5) 0.6442(3) 0.0803(19) Uani 1 1 d . . . . .
H63 H 0.473533 0.181372 0.641911 0.096 Uiso 1 1 calc R U . . .
C64 C 0.5618(6) 0.2798(5) 0.5980(4) 0.097(2) Uani 1 1 d . . . . .
H64A H 0.541922 0.320167 0.615124 0.145 Uiso 1 1 calc R U . . .
H64B H 0.530935 0.252034 0.553567 0.145 Uiso 1 1 calc R U . . .
H64C H 0.626528 0.309074 0.595818 0.145 Uiso 1 1 calc R U . . .
C65 C 0.5759(8) 0.1541(6) 0.6211(4) 0.126(4) Uani 1 1 d . . . . .
H65A H 0.641118 0.185267 0.622098 0.189 Uiso 1 1 calc R U . . .
H65B H 0.549253 0.126424 0.575709 0.189 Uiso 1 1 calc R U . . .
H65C H 0.560480 0.112070 0.650470 0.189 Uiso 1 1 calc R U . . .
C66 C 0.3243(4) -0.0281(3) 0.7224(3) 0.0684(17) Uani 1 1 d . . . . .
H66A H 0.269288 -0.029860 0.702035 0.082 Uiso 1 1 calc R U . . .
H66B H 0.306680 -0.065949 0.755934 0.082 Uiso 1 1 calc R U . . .
C67 C 0.3646(4) -0.0605(4) 0.6693(3) 0.0655(16) Uani 1 1 d . . . . .
C68 C 0.3878(4) -0.1216(4) 0.6794(3) 0.0705(16) Uani 1 1 d . . . . .
H68 H 0.380097 -0.141574 0.720702 0.085 Uiso 1 1 calc R U . . .
C69 C 0.4223(6) -0.1549(5) 0.6306(4) 0.091(2) Uani 1 1 d . . . . .
H69 H 0.439046 -0.196194 0.638790 0.109 Uiso 1 1 calc R U . . .
C70 C 0.4314(6) -0.1273(6) 0.5713(4) 0.101(3) Uani 1 1 d . . . . .
H70 H 0.455004 -0.149485 0.537848 0.121 Uiso 1 1 calc R U . . .
C71 C 0.4066(7) -0.0668(6) 0.5585(4) 0.117(3) Uani 1 1 d . . . . .
H71 H 0.411508 -0.048993 0.516400 0.140 Uiso 1 1 calc R U . . .
C72 C 0.3741(6) -0.0331(5) 0.6094(4) 0.096(2) Uani 1 1 d . . . . .
H72 H 0.358683 0.009226 0.601991 0.115 Uiso 1 1 calc R U . . .
C80 C 0.2008(4) 0.0418(4) 0.7457(3) 0.0649(16) Uani 1 1 d . . . . .
C81 C 0.1344(4) -0.0076(4) 0.6927(5) 0.087(2) Uani 1 1 d . . . . .
C82 C 0.0515(5) -0.0655(5) 0.7074(6) 0.114(3) Uani 1 1 d . U . . .
H82 H 0.005675 -0.098151 0.672010 0.136 Uiso 1 1 calc R U . . .
C83 C 0.0337(6) -0.0770(6) 0.7699(7) 0.122(4) Uani 1 1 d . U . . .
H83 H -0.024088 -0.116938 0.777954 0.147 Uiso 1 1 calc R U . . .
C84 C 0.0996(6) -0.0307(6) 0.8226(6) 0.113(3) Uani 1 1 d . U . . .
H84 H 0.087429 -0.040472 0.866501 0.135 Uiso 1 1 calc R U . . .
C85 C 0.1845(4) 0.0305(5) 0.8112(4) 0.084(2) Uani 1 1 d . U . . .
C86 C 0.1496(6) 0.0004(4) 0.6212(4) 0.099(3) Uani 1 1 d . U . . .
H86 H 0.213758 0.041528 0.619959 0.119 Uiso 1 1 calc R U . . .
C87 C 0.1314(7) -0.0833(5) 0.5803(5) 0.136(4) Uani 1 1 d . U . . .
H87A H 0.167099 -0.105198 0.601510 0.204 Uiso 1 1 calc R U . . .
H87B H 0.147606 -0.074555 0.535483 0.204 Uiso 1 1 calc R U . . .
H87C H 0.067699 -0.123324 0.577987 0.204 Uiso 1 1 calc R U . . .
C88 C 0.0911(7) 0.0340(6) 0.5899(6) 0.148(5) Uani 1 1 d . U . . .
H88A H 0.028121 -0.002798 0.594165 0.222 Uiso 1 1 calc R U . . .
H88B H 0.099416 0.035623 0.542870 0.222 Uiso 1 1 calc R U . . .
H88C H 0.108668 0.090483 0.612662 0.222 Uiso 1 1 calc R U . . .
C89 C 0.2523(5) 0.0866(6) 0.8692(4) 0.092(2) Uani 1 1 d . U . . .
H89 H 0.312544 0.099541 0.855336 0.111 Uiso 1 1 calc R U . . .
C90 C 0.2514(6) 0.1714(7) 0.8849(4) 0.114(3) Uani 1 1 d . U . . .
H90A H 0.264460 0.199569 0.845869 0.171 Uiso 1 1 calc R U . . .
H90B H 0.296845 0.206682 0.922104 0.171 Uiso 1 1 calc R U . . .
H90C H 0.192296 0.161459 0.896651 0.171 Uiso 1 1 calc R U . . .
C91 C 0.2455(7) 0.0495(9) 0.9343(5) 0.158(5) Uani 1 1 d . U . . .
H91A H 0.194144 0.048172 0.955267 0.237 Uiso 1 1 calc R U . . .
H91B H 0.300372 0.084294 0.964457 0.237 Uiso 1 1 calc R U . . .
H91C H 0.237593 -0.007419 0.924249 0.237 Uiso 1 1 calc R U . . .
C92 C 0.4704(4) 0.4284(4) 0.7104(3) 0.0657(16) Uani 1 1 d . . . . .
H92A H 0.470397 0.476397 0.692454 0.079 Uiso 1 1 calc R U . . .
H92B H 0.479155 0.393209 0.673837 0.079 Uiso 1 1 calc R U . . .
C93 C 0.5455(4) 0.4600(4) 0.7624(3) 0.0624(15) Uani 1 1 d . . . . .
H93A H 0.544930 0.412339 0.781185 0.075 Uiso 1 1 calc R U . . .
H93B H 0.538050 0.496794 0.798374 0.075 Uiso 1 1 calc R U . . .
C94 C 0.6350(4) 0.5084(4) 0.7366(3) 0.0606(14) Uani 1 1 d . . . . .
H94A H 0.643534 0.471090 0.701775 0.073 Uiso 1 1 calc R U . . .
H94B H 0.634859 0.554929 0.716358 0.073 Uiso 1 1 calc R U . . .
C95 C 0.7121(4) 0.5435(4) 0.7912(3) 0.0654(15) Uani 1 1 d . . . . .
H95A H 0.707841 0.497908 0.814983 0.079 Uiso 1 1 calc R U . . .
H95B H 0.707205 0.585791 0.823396 0.079 Uiso 1 1 calc R U . . .
C96 C 0.8162(3) 0.6789(3) 0.7280(3) 0.0525(12) Uani 1 1 d . . . . .
C97 C 0.7908(4) 0.7329(4) 0.7642(3) 0.0635(15) Uani 1 1 d . . . . .
H97 H 0.777892 0.726523 0.808480 0.076 Uiso 1 1 calc R U . . .
C98 C 0.7841(4) 0.7956(4) 0.7365(4) 0.0743(17) Uani 1 1 d . . . . .
H98 H 0.767430 0.832210 0.761868 0.089 Uiso 1 1 calc R U . . .
C99 C 0.8015(4) 0.8046(4) 0.6728(4) 0.083(2) Uani 1 1 d . . . . .
H99 H 0.795740 0.846985 0.653656 0.099 Uiso 1 1 calc R U . . .
C100 C 0.8273(5) 0.7529(5) 0.6356(4) 0.081(2) Uani 1 1 d . . . . .
H100 H 0.840381 0.760273 0.591486 0.097 Uiso 1 1 calc R U . . .
C101 C 0.8340(4) 0.6897(4) 0.6634(3) 0.0647(15) Uani 1 1 d . . . . .
H101 H 0.851099 0.653614 0.637770 0.078 Uiso 1 1 calc R U . . .
C102 C 0.8969(4) 0.6458(4) 0.8370(3) 0.0575(13) Uani 1 1 d . . . . .
C103 C 0.8895(5) 0.6033(5) 0.8898(4) 0.095(2) Uani 1 1 d . . . . .
H103 H 0.842132 0.548015 0.887323 0.114 Uiso 1 1 calc R U . . .
C104 C 0.9498(6) 0.6400(6) 0.9461(4) 0.108(3) Uani 1 1 d . . . . .
H104 H 0.943323 0.609859 0.981994 0.130 Uiso 1 1 calc R U . . .
C105 C 1.0191(5) 0.7195(5) 0.9507(4) 0.084(2) Uani 1 1 d . . . . .
H105 H 1.059479 0.745197 0.990054 0.101 Uiso 1 1 calc R U . . .
C106 C 1.0293(5) 0.7610(5) 0.8984(4) 0.091(2) Uani 1 1 d . . . . .
H106 H 1.077986 0.815614 0.900784 0.109 Uiso 1 1 calc R U . . .
C107 C 0.9684(4) 0.7239(4) 0.8411(4) 0.082(2) Uani 1 1 d . . . . .
H107 H 0.976796 0.753297 0.804590 0.098 Uiso 1 1 calc R U . . .
C73 C 0.4801(15) 0.0766(14) 0.7822(12) 0.049(4) Uani 0.593(12) 1 d . U P A 1
H73A H 0.513380 0.135179 0.804937 0.059 Uiso 0.593(12) 1 calc R U P A 1
H73B H 0.511942 0.070457 0.744248 0.059 Uiso 0.593(12) 1 calc R U P A 1
C74 C 0.4793(7) 0.0176(7) 0.8309(6) 0.048(3) Uani 0.593(12) 1 d D U P A 1
C75 C 0.5369(8) -0.0157(7) 0.8251(6) 0.064(3) Uani 0.593(12) 1 d . U P A 1
H75 H 0.573305 -0.005010 0.789809 0.077 Uiso 0.593(12) 1 calc R U P A 1
C76 C 0.5426(9) -0.0649(7) 0.8698(7) 0.080(4) Uani 0.593(12) 1 d D U P A 1
H76 H 0.584361 -0.085791 0.866225 0.096 Uiso 0.593(12) 1 calc R U P A 1
C77 C 0.4866(15) -0.0834(15) 0.9203(10) 0.120(8) Uani 0.593(12) 1 d D U P A 1
H77 H 0.485668 -0.121196 0.948763 0.144 Uiso 0.593(12) 1 calc R U P A 1
C78 C 0.4343(13) -0.0470(12) 0.9278(9) 0.124(6) Uani 0.593(12) 1 d D U P A 1
H78 H 0.400716 -0.054885 0.964704 0.149 Uiso 0.593(12) 1 calc R U P A 1
C79 C 0.4275(10) 0.0028(10) 0.8825(7) 0.094(5) Uani 0.593(12) 1 d D U P A 1
H79 H 0.387737 0.025727 0.887529 0.112 Uiso 0.593(12) 1 calc R U P A 1
C73' C 0.458(2) 0.0617(19) 0.7903(17) 0.051(6) Uani 0.407(12) 1 d D U P A 2
H73C H 0.493501 0.118016 0.816834 0.061 Uiso 0.407(12) 1 calc R U P A 2
H73D H 0.496652 0.053545 0.758184 0.061 Uiso 0.407(12) 1 calc R U P A 2
C74' C 0.4348(10) -0.0029(8) 0.8359(6) 0.062(5) Uani 0.407(12) 1 d DG U P A 2
C75' C 0.3524(10) -0.0421(8) 0.8600(6) 0.078(5) Uani 0.407(12) 1 d G U P A 2
H75' H 0.306331 -0.028901 0.847773 0.094 Uiso 0.407(12) 1 calc R U P A 2
C76' C 0.3373(11) -0.1005(9) 0.9021(6) 0.107(7) Uani 0.407(12) 1 d G U P A 2
H76' H 0.280991 -0.127224 0.918575 0.128 Uiso 0.407(12) 1 calc R U P A 2
C77' C 0.4047(13) -0.1197(9) 0.9200(7) 0.117(8) Uani 0.407(12) 1 d G U P A 2
H77' H 0.394389 -0.159621 0.948734 0.140 Uiso 0.407(12) 1 calc R U P A 2
C78' C 0.4871(12) -0.0805(11) 0.8958(8) 0.082(7) Uani 0.407(12) 1 d G U P A 2
H78' H 0.533126 -0.093695 0.908092 0.099 Uiso 0.407(12) 1 calc R U P A 2
C79' C 0.5021(9) -0.0221(10) 0.8538(8) 0.090(7) Uani 0.407(12) 1 d G U P A 2
H79' H 0.558467 0.004628 0.837289 0.108 Uiso 0.407(12) 1 calc R U P A 2
P3 P -0.1508(2) 0.0200(2) 0.8135(3) 0.0929(14) Uani 0.598(4) 1 d D U P B 1
C108 C 0.1323(5) 0.2175(6) 0.7508(5) 0.103(3) Uani 0.598(4) 1 d D U P B 1
H10A H 0.090845 0.203702 0.710293 0.124 Uiso 0.598(4) 1 calc R U P B 1
H10B H 0.132068 0.164896 0.758239 0.124 Uiso 0.598(4) 1 calc R U P B 1
C109 C 0.0945(7) 0.2399(7) 0.8030(5) 0.068(3) Uani 0.598(4) 1 d D U P B 1
H10C H 0.099010 0.295079 0.798602 0.081 Uiso 0.598(4) 1 calc R U P B 1
H10D H 0.131112 0.247269 0.844643 0.081 Uiso 0.598(4) 1 calc R U P B 1
C110 C -0.0029(9) 0.1803(9) 0.8101(7) 0.104(5) Uani 0.598(4) 1 d D U P B 1
H11A H -0.018541 0.202266 0.851237 0.125 Uiso 0.598(4) 1 calc R U P B 1
H11B H -0.040680 0.181969 0.772652 0.125 Uiso 0.598(4) 1 calc R U P B 1
C111 C -0.0283(12) 0.0897(13) 0.8121(12) 0.132(7) Uani 0.598(4) 1 d D U P B 1
H11C H 0.004600 0.086705 0.852045 0.158 Uiso 0.598(4) 1 calc R U P B 1
H11D H -0.008602 0.068193 0.772915 0.158 Uiso 0.598(4) 1 calc R U P B 1
C112 C -0.2006(9) 0.0808(8) 0.8548(7) 0.073(4) Uani 0.598(4) 1 d D U P B 1
C113 C -0.2077(9) 0.0892(9) 0.9214(8) 0.087(4) Uani 0.598(4) 1 d D U P B 1
H113 H -0.189060 0.058991 0.947370 0.104 Uiso 0.598(4) 1 calc R U P B 1
C114 C -0.2397(12) 0.1381(11) 0.9526(11) 0.126(7) Uani 0.598(4) 1 d D U P B 1
H114 H -0.244600 0.142089 0.998829 0.151 Uiso 0.598(4) 1 calc R U P B 1
C115 C -0.2645(14) 0.1814(15) 0.9130(12) 0.114(7) Uani 0.598(4) 1 d D U P B 1
H115 H -0.288157 0.215534 0.932925 0.137 Uiso 0.598(4) 1 calc R U P B 1
C116 C -0.2571(10) 0.1781(8) 0.8481(10) 0.099(5) Uani 0.598(4) 1 d D U P B 1
H116 H -0.276198 0.207668 0.821902 0.119 Uiso 0.598(4) 1 calc R U P B 1
C117 C -0.2214(8) 0.1307(7) 0.8216(7) 0.077(3) Uani 0.598(4) 1 d D U P B 1
H117 H -0.209905 0.132345 0.776661 0.092 Uiso 0.598(4) 1 calc R U P B 1
C118 C -0.1909(8) 0.0050(7) 0.7263(4) 0.111(5) Uani 0.598(4) 1 d DG U P B 1
C119 C -0.1339(6) 0.0283(6) 0.6772(6) 0.129(6) Uani 0.598(4) 1 d G U P B 1
H119 H -0.071002 0.057643 0.688930 0.155 Uiso 0.598(4) 1 calc R U P B 1
C120 C -0.1691(9) 0.0088(7) 0.6111(5) 0.132(6) Uani 0.598(4) 1 d G U P B 1
H120 H -0.130125 0.024776 0.577513 0.158 Uiso 0.598(4) 1 calc R U P B 1
C121 C -0.2612(10) -0.0341(8) 0.5940(5) 0.160(8) Uani 0.598(4) 1 d G U P B 1
H121 H -0.285156 -0.047410 0.548718 0.192 Uiso 0.598(4) 1 calc R U P B 1
C122 C -0.3181(7) -0.0574(8) 0.6430(8) 0.157(7) Uani 0.598(4) 1 d G U P B 1
H122 H -0.381066 -0.086729 0.631340 0.188 Uiso 0.598(4) 1 calc R U P B 1
C123 C -0.2830(8) -0.0379(8) 0.7092(6) 0.157(8) Uani 0.598(4) 1 d G U P B 1
H123 H -0.321945 -0.053863 0.742757 0.189 Uiso 0.598(4) 1 calc R U P B 1
P3' P -0.1265(8) 0.0105(5) 0.8473(4) 0.136(3) Uani 0.402(4) 1 d D U P B -1
C208 C 0.1323(5) 0.2175(6) 0.7508(5) 0.103(3) Uani 0.402(4) 1 d D . P B -1
H20A H 0.107605 0.256959 0.758685 0.124 Uiso 0.402(4) 1 calc R U P B -1
H20B H 0.146009 0.208095 0.795611 0.124 Uiso 0.402(4) 1 calc R U P B -1
C209 C 0.0533(12) 0.1414(11) 0.7271(12) 0.133(9) Uani 0.402(4) 1 d D U P B -1
H20C H 0.071325 0.096991 0.726399 0.159 Uiso 0.402(4) 1 calc R U P B -1
H20D H 0.039478 0.143894 0.680126 0.159 Uiso 0.402(4) 1 calc R U P B -1
C210 C -0.0340(19) 0.1081(19) 0.7549(13) 0.155(11) Uani 0.402(4) 1 d D U P B -1
H21A H -0.074213 0.051111 0.731014 0.186 Uiso 0.402(4) 1 calc R U P B -1
H21B H -0.061954 0.143825 0.747526 0.186 Uiso 0.402(4) 1 calc R U P B -1
C211 C -0.0247(15) 0.1048(17) 0.8271(14) 0.110(8) Uani 0.402(4) 1 d D U P B -1
H21C H -0.019445 0.156556 0.852927 0.132 Uiso 0.402(4) 1 calc R U P B -1
H21D H 0.030051 0.100713 0.839169 0.132 Uiso 0.402(4) 1 calc R U P B -1
C212 C -0.1720(13) 0.0784(13) 0.8713(10) 0.095(9) Uani 0.402(4) 1 d D U P B -1
C213 C -0.2338(13) 0.0430(15) 0.9154(10) 0.105(8) Uani 0.402(4) 1 d D U P B -1
H213 H -0.243426 -0.008473 0.928310 0.126 Uiso 0.402(4) 1 calc R U P B -1
C214 C -0.2817(17) 0.0822(18) 0.9407(13) 0.139(10) Uani 0.402(4) 1 d D U P B -1
H214 H -0.323335 0.055245 0.970601 0.167 Uiso 0.402(4) 1 calc R U P B -1
C215 C -0.274(2) 0.1577(18) 0.9261(14) 0.107(11) Uani 0.402(4) 1 d D U P B -1
H215 H -0.306901 0.183618 0.944289 0.128 Uiso 0.402(4) 1 calc R U P B -1
C216 C -0.2114(19) 0.1904(19) 0.8814(13) 0.135(10) Uani 0.402(4) 1 d D U P B -1
H216 H -0.201858 0.241643 0.867955 0.161 Uiso 0.402(4) 1 calc R U P B -1
C217 C -0.162(2) 0.1526(14) 0.8552(14) 0.149(11) Uani 0.402(4) 1 d D U P B -1
H217 H -0.120417 0.179221 0.825257 0.179 Uiso 0.402(4) 1 calc R U P B -1
C218 C -0.0697(11) 0.0139(9) 0.9234(7) 0.085(5) Uani 0.402(4) 1 d D U P B -1
C219 C -0.0682(14) -0.0589(12) 0.9343(10) 0.091(6) Uani 0.402(4) 1 d D U P B -1
H219 H -0.098177 -0.107713 0.901922 0.109 Uiso 0.402(4) 1 calc R U P B -1
C220 C -0.0239(16) -0.0618(16) 0.9915(9) 0.077(5) Uani 0.402(4) 1 d D U P B -1
H220 H -0.030675 -0.113345 1.002437 0.092 Uiso 0.402(4) 1 calc R U P B -1
C221 C 0.0292(13) 0.0114(12) 1.0313(11) 0.087(6) Uani 0.402(4) 1 d D U P B -1
H221 H 0.072582 0.013449 1.063468 0.104 Uiso 0.402(4) 1 calc R U P B -1
C222 C 0.0231(17) 0.0824(15) 1.0269(9) 0.077(5) Uani 0.402(4) 1 d D . P B -1
H222 H 0.048841 0.128835 1.061670 0.092 Uiso 0.402(4) 1 calc R U P B -1
C223 C -0.0223(11) 0.0837(10) 0.9694(8) 0.078(5) Uani 0.402(4) 1 d D U P B -1
H223 H -0.020262 0.134833 0.961926 0.094 Uiso 0.402(4) 1 calc R U P B -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -21.3766 3.7544 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Lu1 O2 73.61(13) . . ?
O1 Lu1 N2 143.09(14) . . ?
O2 Lu1 N2 103.04(13) . . ?
O1 Lu1 N1 96.56(13) . . ?
O2 Lu1 N1 132.63(14) . . ?
N2 Lu1 N1 57.96(13) . . ?
O1 Lu1 P1 105.19(11) . . ?
O2 Lu1 P1 114.87(10) . . ?
N2 Lu1 P1 109.14(11) . . ?
N1 Lu1 P1 112.43(11) . . ?
O1 Lu1 C14 121.93(13) . . ?
O2 Lu1 C14 122.06(13) . . ?
N2 Lu1 C14 29.17(13) . . ?
N1 Lu1 C14 28.82(13) . . ?
P1 Lu1 C14 112.87(10) . . ?
O1 Lu1 Lu2 36.95(9) . . ?
O2 Lu1 Lu2 36.72(9) . . ?
N2 Lu1 Lu2 128.45(10) . . ?
N1 Lu1 Lu2 118.29(11) . . ?
P1 Lu1 Lu2 116.88(3) . . ?
C14 Lu1 Lu2 129.79(10) . . ?
O2 Lu2 O1 72.62(13) . . ?
O2 Lu2 N5 104.91(14) . . ?
O1 Lu2 N5 156.43(15) . . ?
O2 Lu2 N4 141.94(14) . . ?
O1 Lu2 N4 108.99(13) . . ?
N5 Lu2 N4 58.05(14) . . ?
O2 Lu2 C1 111.5(2) . . ?
O1 Lu2 C1 104.87(18) . . ?
N5 Lu2 C1 97.85(19) . . ?
N4 Lu2 C1 104.8(2) . . ?
O2 Lu2 C53 129.25(13) . . ?
O1 Lu2 C53 136.69(13) . . ?
N5 Lu2 C53 29.39(14) . . ?
N4 Lu2 C53 29.01(13) . . ?
C1 Lu2 C53 99.63(19) . . ?
O2 Lu2 Lu1 36.35(9) . . ?
O1 Lu2 Lu1 36.33(9) . . ?
N5 Lu2 Lu1 137.69(12) . . ?
N4 Lu2 Lu1 135.01(10) . . ?
C1 Lu2 Lu1 111.15(16) . . ?
C53 Lu2 Lu1 149.17(10) . . ?
C14 N1 C15 132.3(4) . . ?
C14 N1 Lu1 95.6(3) . . ?
C15 N1 Lu1 131.9(3) . . ?
C14 N2 C41 130.5(4) . . ?
C14 N2 Lu1 95.7(3) . . ?
C41 N2 Lu1 129.3(3) . . ?
C14 N3 C27 123.9(4) . . ?
C14 N3 C34 121.7(4) . . ?
C27 N3 C34 112.3(4) . . ?
C53 N4 C54 130.3(4) . . ?
C53 N4 Lu2 94.3(3) . . ?
C54 N4 Lu2 133.6(3) . . ?
C53 N5 C80 126.8(4) . . ?
C53 N5 Lu2 94.6(3) . . ?
C80 N5 Lu2 136.6(3) . . ?
C53 N6 C73' 128.1(15) . . ?
C53 N6 C66 121.1(5) . . ?
C73' N6 C66 110.8(15) . . ?
C53 N6 C73 120.1(9) . . ?
C66 N6 C73 116.5(10) . . ?
C92 O1 Lu1 132.9(3) . . ?
C92 O1 Lu2 116.4(4) . . ?
Lu1 O1 Lu2 106.72(14) . . ?
C208 O2 C108 0.0 . . ?
C208 O2 Lu1 122.3(4) . . ?
C108 O2 Lu1 122.3(4) . . ?
C208 O2 Lu2 129.9(4) . . ?
C108 O2 Lu2 129.9(4) . . ?
Lu1 O2 Lu2 106.92(13) . . ?
C2 P1 C8 102.1(3) . . ?
C2 P1 Lu1 121.82(17) . . ?
C8 P1 Lu1 118.20(19) . . ?
C96 P2 C102 101.2(3) . . ?
C96 P2 C95 99.4(3) . . ?
C102 P2 C95 101.1(3) . . ?
Lu2 C1 H1A 109.5 . . ?
Lu2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Lu2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C7 C2 C3 115.4(6) . . ?
C7 C2 P1 121.0(5) . . ?
C3 C2 P1 123.6(4) . . ?
C4 C3 C2 121.0(6) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C5 C4 C3 121.5(7) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 H4 119.2 . . ?
C4 C5 C6 118.2(7) . . ?
C4 C5 H5 120.9 . . ?
C6 C5 H5 120.9 . . ?
C7 C6 C5 121.2(7) . . ?
C7 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
C6 C7 C2 122.6(7) . . ?
C6 C7 H7 118.7 . . ?
C2 C7 H7 118.7 . . ?
C9 C8 C13 116.2(6) . . ?
C9 C8 P1 118.7(5) . . ?
C13 C8 P1 124.8(5) . . ?
C8 C9 C10 122.8(8) . . ?
C8 C9 H9 118.6 . . ?
C10 C9 H9 118.6 . . ?
C11 C10 C9 119.8(8) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C12 C11 C10 118.7(8) . . ?
C12 C11 H11 120.7 . . ?
C10 C11 H11 120.7 . . ?
C11 C12 C13 121.7(10) . . ?
C11 C12 H12 119.1 . . ?
C13 C12 H12 119.1 . . ?
C8 C13 C12 120.7(8) . . ?
C8 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
N1 C14 N2 110.6(4) . . ?
N1 C14 N3 126.0(4) . . ?
N2 C14 N3 123.4(4) . . ?
N1 C14 Lu1 55.6(2) . . ?
N2 C14 Lu1 55.2(2) . . ?
N3 C14 Lu1 175.5(3) . . ?
C20 C15 C16 120.6(5) . . ?
C20 C15 N1 119.4(5) . . ?
C16 C15 N1 119.6(4) . . ?
C17 C16 C15 118.5(5) . . ?
C17 C16 C21 119.3(5) . . ?
C15 C16 C21 122.2(5) . . ?
C18 C17 C16 121.1(7) . . ?
C18 C17 H17 119.5 . . ?
C16 C17 H17 119.5 . . ?
C19 C18 C17 120.2(6) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C18 C19 C20 121.1(6) . . ?
C18 C19 H19 119.4 . . ?
C20 C19 H19 119.4 . . ?
C19 C20 C15 118.5(6) . . ?
C19 C20 C24 118.4(5) . . ?
C15 C20 C24 123.0(5) . . ?
C22 C21 C16 110.7(5) . . ?
C22 C21 C23 110.4(5) . . ?
C16 C21 C23 114.0(5) . . ?
C22 C21 H21 107.1 . . ?
C16 C21 H21 107.1 . . ?
C23 C21 H21 107.1 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C20 C24 C26 110.2(5) . . ?
C20 C24 C25 113.5(6) . . ?
C26 C24 C25 110.2(5) . . ?
C20 C24 H24 107.5 . . ?
C26 C24 H24 107.5 . . ?
C25 C24 H24 107.5 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N3 C27 C28 114.1(4) . . ?
N3 C27 H27A 108.7 . . ?
C28 C27 H27A 108.7 . . ?
N3 C27 H27B 108.7 . . ?
C28 C27 H27B 108.7 . . ?
H27A C27 H27B 107.6 . . ?
C29 C28 C33 118.0(5) . . ?
C29 C28 C27 119.7(5) . . ?
C33 C28 C27 122.2(5) . . ?
C28 C29 C30 120.4(6) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C31 C30 C29 120.8(5) . . ?
C31 C30 H30 119.6 . . ?
C29 C30 H30 119.6 . . ?
C30 C31 C32 119.3(5) . . ?
C30 C31 H31 120.3 . . ?
C32 C31 H31 120.3 . . ?
C31 C32 C33 120.1(6) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 C28 121.4(5) . . ?
C32 C33 H33 119.3 . . ?
C28 C33 H33 119.3 . . ?
N3 C34 C35 112.8(4) . . ?
N3 C34 H34A 109.0 . . ?
C35 C34 H34A 109.0 . . ?
N3 C34 H34B 109.0 . . ?
C35 C34 H34B 109.0 . . ?
H34A C34 H34B 107.8 . . ?
C40 C35 C36 118.1(5) . . ?
C40 C35 C34 121.3(5) . . ?
C36 C35 C34 120.6(5) . . ?
C37 C36 C35 121.5(6) . . ?
C37 C36 H36 119.2 . . ?
C35 C36 H36 119.2 . . ?
C36 C37 C38 120.6(6) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 H37 119.7 . . ?
C37 C38 C39 118.8(6) . . ?
C37 C38 H38 120.6 . . ?
C39 C38 H38 120.6 . . ?
C40 C39 C38 119.5(6) . . ?
C40 C39 H39 120.2 . . ?
C38 C39 H39 120.2 . . ?
C39 C40 C35 121.3(6) . . ?
C39 C40 H40 119.3 . . ?
C35 C40 H40 119.3 . . ?
C46 C41 C42 119.4(4) . . ?
C46 C41 N2 119.3(4) . . ?
C42 C41 N2 120.8(4) . . ?
C43 C42 C41 118.9(5) . . ?
C43 C42 C47 118.3(5) . . ?
C41 C42 C47 122.8(4) . . ?
C44 C43 C42 121.7(5) . . ?
C44 C43 H43 119.2 . . ?
C42 C43 H43 119.2 . . ?
C43 C44 C45 119.3(5) . . ?
C43 C44 H44 120.4 . . ?
C45 C44 H44 120.4 . . ?
C44 C45 C46 121.4(5) . . ?
C44 C45 H45 119.3 . . ?
C46 C45 H45 119.3 . . ?
C45 C46 C41 119.3(5) . . ?
C45 C46 C50 117.9(5) . . ?
C41 C46 C50 122.8(5) . . ?
C42 C47 C48 111.1(4) . . ?
C42 C47 C49 111.9(4) . . ?
C48 C47 C49 110.4(5) . . ?
C42 C47 H47 107.8 . . ?
C48 C47 H47 107.8 . . ?
C49 C47 H47 107.8 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C46 C50 C51 113.2(5) . . ?
C46 C50 C52 111.4(5) . . ?
C51 C50 C52 108.4(6) . . ?
C46 C50 H50 107.9 . . ?
C51 C50 H50 107.9 . . ?
C52 C50 H50 107.9 . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
N4 C53 N5 111.8(4) . . ?
N4 C53 N6 126.1(4) . . ?
N5 C53 N6 122.2(4) . . ?
N4 C53 Lu2 56.7(2) . . ?
N5 C53 Lu2 56.0(2) . . ?
N6 C53 Lu2 170.0(3) . . ?
C59 C54 C55 120.3(5) . . ?
C59 C54 N4 121.9(5) . . ?
C55 C54 N4 117.4(4) . . ?
C56 C55 C54 119.1(6) . . ?
C56 C55 C60 119.2(6) . . ?
C54 C55 C60 121.7(5) . . ?
C55 C56 C57 121.3(7) . . ?
C55 C56 H56 119.4 . . ?
C57 C56 H56 119.4 . . ?
C58 C57 C56 119.1(6) . . ?
C58 C57 H57 120.5 . . ?
C56 C57 H57 120.5 . . ?
C57 C58 C59 122.4(6) . . ?
C57 C58 H58 118.8 . . ?
C59 C58 H58 118.8 . . ?
C54 C59 C58 117.8(6) . . ?
C54 C59 C63 123.3(5) . . ?
C58 C59 C63 118.9(6) . . ?
C62 C60 C55 110.6(6) . . ?
C62 C60 C61 109.9(7) . . ?
C55 C60 C61 114.0(6) . . ?
C62 C60 H60 107.4 . . ?
C55 C60 H60 107.4 . . ?
C61 C60 H60 107.4 . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C60 C62 H62A 109.5 . . ?
C60 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C60 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C59 C63 C65 110.5(7) . . ?
C59 C63 C64 111.9(6) . . ?
C65 C63 C64 110.4(6) . . ?
C59 C63 H63 107.9 . . ?
C65 C63 H63 107.9 . . ?
C64 C63 H63 107.9 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C63 C65 H65A 109.5 . . ?
C63 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C63 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N6 C66 C67 114.1(5) . . ?
N6 C66 H66A 108.7 . . ?
C67 C66 H66A 108.7 . . ?
N6 C66 H66B 108.7 . . ?
C67 C66 H66B 108.7 . . ?
H66A C66 H66B 107.6 . . ?
C72 C67 C68 119.0(6) . . ?
C72 C67 C66 120.7(7) . . ?
C68 C67 C66 120.2(6) . . ?
C67 C68 C69 121.7(7) . . ?
C67 C68 H68 119.1 . . ?
C69 C68 H68 119.1 . . ?
C70 C69 C68 118.8(8) . . ?
C70 C69 H69 120.6 . . ?
C68 C69 H69 120.6 . . ?
C69 C70 C71 121.3(8) . . ?
C69 C70 H70 119.4 . . ?
C71 C70 H70 119.4 . . ?
C70 C71 C72 118.4(8) . . ?
C70 C71 H71 120.8 . . ?
C72 C71 H71 120.8 . . ?
C67 C72 C71 120.8(8) . . ?
C67 C72 H72 119.6 . . ?
C71 C72 H72 119.6 . . ?
C85 C80 C81 120.8(6) . . ?
C85 C80 N5 119.8(6) . . ?
C81 C80 N5 119.1(6) . . ?
C82 C81 C80 118.1(9) . . ?
C82 C81 C86 119.1(8) . . ?
C80 C81 C86 122.8(6) . . ?
C83 C82 C81 122.4(9) . . ?
C83 C82 H82 118.8 . . ?
C81 C82 H82 118.8 . . ?
C82 C83 C84 120.1(8) . . ?
C82 C83 H83 119.9 . . ?
C84 C83 H83 119.9 . . ?
C83 C84 C85 120.3(9) . . ?
C83 C84 H84 119.9 . . ?
C85 C84 H84 119.9 . . ?
C80 C85 C84 118.3(8) . . ?
C80 C85 C89 121.8(6) . . ?
C84 C85 C89 119.7(8) . . ?
C81 C86 C87 111.8(6) . . ?
C81 C86 C88 110.8(9) . . ?
C87 C86 C88 110.0(7) . . ?
C81 C86 H86 108.0 . . ?
C87 C86 H86 108.0 . . ?
C88 C86 H86 108.0 . . ?
C86 C87 H87A 109.5 . . ?
C86 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C86 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C86 C88 H88A 109.5 . . ?
C86 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C86 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C85 C89 C91 116.3(8) . . ?
C85 C89 C90 111.5(6) . . ?
C91 C89 C90 108.5(8) . . ?
C85 C89 H89 106.7 . . ?
C91 C89 H89 106.7 . . ?
C90 C89 H89 106.7 . . ?
C89 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C89 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C89 C91 H91A 109.5 . . ?
C89 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C89 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
O1 C92 C93 113.7(5) . . ?
O1 C92 H92A 108.8 . . ?
C93 C92 H92A 108.8 . . ?
O1 C92 H92B 108.8 . . ?
C93 C92 H92B 108.8 . . ?
H92A C92 H92B 107.7 . . ?
C92 C93 C94 112.3(5) . . ?
C92 C93 H93A 109.1 . . ?
C94 C93 H93A 109.1 . . ?
C92 C93 H93B 109.1 . . ?
C94 C93 H93B 109.1 . . ?
H93A C93 H93B 107.9 . . ?
C95 C94 C93 111.9(5) . . ?
C95 C94 H94A 109.2 . . ?
C93 C94 H94A 109.2 . . ?
C95 C94 H94B 109.2 . . ?
C93 C94 H94B 109.2 . . ?
H94A C94 H94B 107.9 . . ?
C94 C95 P2 112.5(4) . . ?
C94 C95 H95A 109.1 . . ?
P2 C95 H95A 109.1 . . ?
C94 C95 H95B 109.1 . . ?
P2 C95 H95B 109.1 . . ?
H95A C95 H95B 107.8 . . ?
C101 C96 C97 118.0(6) . . ?
C101 C96 P2 118.0(5) . . ?
C97 C96 P2 124.0(4) . . ?
C98 C97 C96 121.1(6) . . ?
C98 C97 H97 119.4 . . ?
C96 C97 H97 119.4 . . ?
C99 C98 C97 119.8(7) . . ?
C99 C98 H98 120.1 . . ?
C97 C98 H98 120.1 . . ?
C98 C99 C100 120.9(7) . . ?
C98 C99 H99 119.6 . . ?
C100 C99 H99 119.6 . . ?
C99 C100 C101 119.4(7) . . ?
C99 C100 H100 120.3 . . ?
C101 C100 H100 120.3 . . ?
C96 C101 C100 120.8(6) . . ?
C96 C101 H101 119.6 . . ?
C100 C101 H101 119.6 . . ?
C107 C102 C103 117.8(6) . . ?
C107 C102 P2 121.5(5) . . ?
C103 C102 P2 120.1(5) . . ?
C104 C103 C102 121.0(7) . . ?
C104 C103 H103 119.5 . . ?
C102 C103 H103 119.5 . . ?
C105 C104 C103 120.6(8) . . ?
C105 C104 H104 119.7 . . ?
C103 C104 H104 119.7 . . ?
C106 C105 C104 119.3(7) . . ?
C106 C105 H105 120.3 . . ?
C104 C105 H105 120.3 . . ?
C105 C106 C107 120.3(7) . . ?
C105 C106 H106 119.9 . . ?
C107 C106 H106 119.9 . . ?
C102 C107 C106 120.9(7) . . ?
C102 C107 H107 119.5 . . ?
C106 C107 H107 119.5 . . ?
N6 C73 C74 112.4(12) . . ?
N6 C73 H73A 109.1 . . ?
C74 C73 H73A 109.1 . . ?
N6 C73 H73B 109.1 . . ?
C74 C73 H73B 109.1 . . ?
H73A C73 H73B 107.9 . . ?
C75 C74 C79 119.2(11) . . ?
C75 C74 C73 118.7(13) . . ?
C79 C74 C73 121.9(13) . . ?
C74 C75 C76 121.0(12) . . ?
C74 C75 H75 119.5 . . ?
C76 C75 H75 119.5 . . ?
C75 C76 C77 119.6(13) . . ?
C75 C76 H76 120.2 . . ?
C77 C76 H76 120.2 . . ?
C78 C77 C76 118.8(17) . . ?
C78 C77 H77 120.6 . . ?
C76 C77 H77 120.6 . . ?
C77 C78 C79 121.8(17) . . ?
C77 C78 H78 119.1 . . ?
C79 C78 H78 119.1 . . ?
C74 C79 C78 119.2(13) . . ?
C74 C79 H79 120.4 . . ?
C78 C79 H79 120.4 . . ?
N6 C73' C74' 113(2) . . ?
N6 C73' H73C 108.9 . . ?
C74' C73' H73C 108.9 . . ?
N6 C73' H73D 108.9 . . ?
C74' C73' H73D 108.9 . . ?
H73C C73' H73D 107.7 . . ?
C75' C74' C79' 120.0 . . ?
C75' C74' C73' 124.3(17) . . ?
C79' C74' C73' 115.7(17) . . ?
C76' C75' C74' 120.0 . . ?
C76' C75' H75' 120.0 . . ?
C74' C75' H75' 120.0 . . ?
C75' C76' C77' 120.0 . . ?
C75' C76' H76' 120.0 . . ?
C77' C76' H76' 120.0 . . ?
C78' C77' C76' 120.0 . . ?
C78' C77' H77' 120.0 . . ?
C76' C77' H77' 120.0 . . ?
C79' C78' C77' 120.0 . . ?
C79' C78' H78' 120.0 . . ?
C77' C78' H78' 120.0 . . ?
C78' C79' C74' 120.0 . . ?
C78' C79' H79' 120.0 . . ?
C74' C79' H79' 120.0 . . ?
P3' P3 C212 82.9(10) . . ?
P3' P3 C118 155.2(8) . . ?
C212 P3 C118 121.7(8) . . ?
P3' P3 C112 100.8(9) . . ?
C212 P3 C112 18.9(9) . . ?
C118 P3 C112 103.3(6) . . ?
P3' P3 C111 76.8(11) . . ?
C212 P3 C111 99.7(11) . . ?
C118 P3 C111 100.4(9) . . ?
C112 P3 C111 109.4(9) . . ?
P3' P3 C211 73.2(10) . . ?
C212 P3 C211 89.1(13) . . ?
C118 P3 C211 108.0(9) . . ?
C112 P3 C211 99.7(11) . . ?
C111 P3 C211 10.8(15) . . ?
C109 C108 O2 122.4(9) . . ?
C109 C108 C209 93.9(12) . . ?
O2 C108 C209 143.2(13) . . ?
C109 C108 H10A 106.7 . . ?
O2 C108 H10A 106.7 . . ?
C209 C108 H10A 51.8 . . ?
C109 C108 H10B 106.7 . . ?
O2 C108 H10B 106.7 . . ?
C209 C108 H10B 62.6 . . ?
H10A C108 H10B 106.6 . . ?
C208 C109 C108 0.0 . . ?
C208 C109 C110 117.4(10) . . ?
C108 C109 C110 117.4(10) . . ?
C208 C109 H10C 108.0 . . ?
C108 C109 H10C 108.0 . . ?
C110 C109 H10C 108.0 . . ?
C208 C109 H10D 108.0 . . ?
C108 C109 H10D 108.0 . . ?
C110 C109 H10D 108.0 . . ?
H10C C109 H10D 107.2 . . ?
C211 C110 C210 62.9(14) . . ?
C211 C110 C111 13.3(19) . . ?
C210 C110 C111 49.8(15) . . ?
C211 C110 C109 119.8(18) . . ?
C210 C110 C109 107.0(14) . . ?
C111 C110 C109 117.9(13) . . ?
C211 C110 H11A 95.3 . . ?
C210 C110 H11A 144.9 . . ?
C111 C110 H11A 107.8 . . ?
C109 C110 H11A 107.8 . . ?
C211 C110 H11B 117.0 . . ?
C210 C110 H11B 65.7 . . ?
C111 C110 H11B 107.8 . . ?
C109 C110 H11B 107.8 . . ?
H11A C110 H11B 107.2 . . ?
C210 C111 C110 64.5(16) . . ?
C210 C111 P3 96.8(19) . . ?
C110 C111 P3 114.5(14) . . ?
C210 C111 P3' 123(2) . . ?
C110 C111 P3' 128.0(15) . . ?
P3 C111 P3' 26.7(4) . . ?
C210 C111 H11C 153.8 . . ?
C110 C111 H11C 108.6 . . ?
P3 C111 H11C 108.6 . . ?
P3' C111 H11C 82.1 . . ?
C210 C111 H11D 56.3 . . ?
C110 C111 H11D 108.6 . . ?
P3 C111 H11D 108.6 . . ?
P3' C111 H11D 116.2 . . ?
H11C C111 H11D 107.6 . . ?
C212 C112 C217 97(3) . . ?
C212 C112 C117 146(3) . . ?
C217 C112 C117 49.4(13) . . ?
C212 C112 C113 66(3) . . ?
C217 C112 C113 93.4(19) . . ?
C117 C112 C113 115.0(12) . . ?
C212 C112 C213 68(3) . . ?
C217 C112 C213 123(2) . . ?
C117 C112 C213 131.1(14) . . ?
C113 C112 C213 29.5(9) . . ?
C212 C112 P3 64(2) . . ?
C217 C112 P3 116(2) . . ?
C117 C112 P3 120.4(11) . . ?
C113 C112 P3 124.0(11) . . ?
C213 C112 P3 105.8(11) . . ?
C212 C112 P3' 42(2) . . ?
C217 C112 P3' 118.7(19) . . ?
C117 C112 P3' 141.4(11) . . ?
C113 C112 P3' 101.3(10) . . ?
C213 C112 P3' 87.2(10) . . ?
P3 C112 P3' 23.0(3) . . ?
C213 C113 C212 84(2) . . ?
C213 C113 C214 82(2) . . ?
C212 C113 C214 143(2) . . ?
C213 C113 C114 122(2) . . ?
C212 C113 C114 143.9(18) . . ?
C214 C113 C114 41.0(14) . . ?
C213 C113 C112 85(2) . . ?
C212 C113 C112 25.9(11) . . ?
C214 C113 C112 118.6(17) . . ?
C114 C113 C112 124.0(15) . . ?
C213 C113 C217 124(3) . . ?
C212 C113 C217 47.8(12) . . ?
C214 C113 C217 117(2) . . ?
C114 C113 C217 96.3(15) . . ?
C112 C113 C217 38.9(11) . . ?
C213 C113 C215 119(2) . . ?
C212 C113 C215 122.7(16) . . ?
C214 C113 C215 42.8(14) . . ?
C114 C113 C215 25.1(13) . . ?
C112 C113 C215 99.7(12) . . ?
C217 C113 C215 78.8(13) . . ?
C213 C113 H113 62.2 . . ?
C212 C113 H113 95.6 . . ?
C214 C113 H113 107.1 . . ?
C114 C113 H113 118.0 . . ?
C112 C113 H113 118.0 . . ?
C217 C113 H113 135.4 . . ?
C215 C113 H113 141.7 . . ?
C214 C114 C215 93(3) . . ?
C214 C114 C113 65(2) . . ?
C215 C114 C113 119(3) . . ?
C214 C114 C115 106(3) . . ?
C215 C114 C115 16(2) . . ?
C113 C114 C115 115.8(19) . . ?
C214 C114 C216 112(3) . . ?
C215 C114 C216 50.3(18) . . ?
C113 C114 C216 83.9(16) . . ?
C115 C114 C216 37.4(16) . . ?
C214 C114 C213 46.2(16) . . ?
C215 C114 C213 118(2) . . ?
C113 C114 C213 19.7(9) . . ?
C115 C114 C213 120.1(18) . . ?
C216 C114 C213 96.1(15) . . ?
C214 C114 H114 97.4 . . ?
C215 C114 H114 116.6 . . ?
C113 C114 H114 122.1 . . ?
C115 C114 H114 122.1 . . ?
C216 C114 H114 147.8 . . ?
C213 C114 H114 114.4 . . ?
C215 C115 C216 117(6) . . ?
C215 C115 C116 127(6) . . ?
C216 C115 C116 43.7(17) . . ?
C215 C115 C114 32(5) . . ?
C216 C115 C114 93(2) . . ?
C116 C115 C114 123.5(19) . . ?
C215 C115 C214 18(5) . . ?
C216 C115 C214 99(2) . . ?
C116 C115 C214 110.9(17) . . ?
C114 C115 C214 28.6(11) . . ?
C215 C115 H115 105.1 . . ?
C216 C115 H115 135.3 . . ?
C116 C115 H115 118.2 . . ?
C114 C115 H115 118.2 . . ?
C214 C115 H115 123.5 . . ?
C216 C116 C115 54(3) . . ?
C216 C116 C117 79(2) . . ?
C115 C116 C117 116.9(16) . . ?
C216 C116 C215 55.8(19) . . ?
C115 C116 C215 13.7(17) . . ?
C117 C116 C215 106.1(15) . . ?
C216 C116 C217 46(2) . . ?
C115 C116 C217 93.0(15) . . ?
C117 C116 C217 33.9(10) . . ?
C215 C116 C217 87.4(15) . . ?
C216 C116 H116 137.7 . . ?
C115 C116 H116 121.6 . . ?
C117 C116 H116 121.6 . . ?
C215 C116 H116 131.5 . . ?
C217 C116 H116 137.9 . . ?
C217 C117 C116 101(2) . . ?
C217 C117 C112 55.8(16) . . ?
C116 C117 C112 124.5(13) . . ?
C217 C117 C216 64(2) . . ?
C116 C117 C216 38.0(14) . . ?
C112 C117 C216 95.5(16) . . ?
C217 C117 C212 45.8(12) . . ?
C116 C117 C212 124.2(13) . . ?
C112 C117 C212 10.3(10) . . ?
C216 C117 C212 91.1(15) . . ?
C217 C117 H117 113.0 . . ?
C116 C117 H117 117.8 . . ?
C112 C117 H117 117.8 . . ?
C216 C117 H117 137.9 . . ?
C212 C117 H117 116.9 . . ?
C119 C118 C123 120.0 . . ?
C119 C118 P3 122.9(8) . . ?
C123 C118 P3 116.9(8) . . ?
C120 C119 C118 120.0 . . ?
C120 C119 H119 120.0 . . ?
C118 C119 H119 120.0 . . ?
C119 C120 C121 120.0 . . ?
C119 C120 H120 120.0 . . ?
C121 C120 H120 120.0 . . ?
C122 C121 C120 120.0 . . ?
C122 C121 H121 120.0 . . ?
C120 C121 H121 120.0 . . ?
C121 C122 C123 120.0 . . ?
C121 C122 H122 120.0 . . ?
C123 C122 H122 120.0 . . ?
C122 C123 C118 120.0 . . ?
C122 C123 H123 120.0 . . ?
C118 C123 H123 120.0 . . ?
P3 P3' C218 167.6(10) . . ?
P3 P3' C212 68.2(10) . . ?
C218 P3' C212 101.7(9) . . ?
P3 P3' C111 76.6(10) . . ?
C218 P3' C111 98.0(11) . . ?
C212 P3' C111 95.6(11) . . ?
P3 P3' C211 80.9(11) . . ?
C218 P3' C211 91.9(11) . . ?
C212 P3' C211 87.8(13) . . ?
C111 P3' C211 11.2(15) . . ?
P3 P3' C112 56.2(8) . . ?
C218 P3' C112 114.3(8) . . ?
C212 P3' C112 13.1(9) . . ?
C111 P3' C112 96.6(9) . . ?
C211 P3' C112 90.7(11) . . ?
C109 C208 O2 122.4(9) . . ?
C109 C208 C209 93.9(12) . . ?
O2 C208 C209 143.2(13) . . ?
C109 C208 H20A 45.8 . . ?
O2 C208 H20A 101.1 . . ?
C209 C208 H20A 101.1 . . ?
C109 C208 H20B 61.5 . . ?
O2 C208 H20B 101.1 . . ?
C209 C208 H20B 101.1 . . ?
H20A C208 H20B 104.5 . . ?
C208 C209 C108 0.0 . . ?
C208 C209 C210 127.4(19) . . ?
C108 C209 C210 127.4(19) . . ?
C208 C209 H20C 105.4 . . ?
C108 C209 H20C 105.4 . . ?
C210 C209 H20C 105.4 . . ?
C208 C209 H20D 105.4 . . ?
C108 C209 H20D 105.4 . . ?
C210 C209 H20D 105.4 . . ?
H20C C209 H20D 106.0 . . ?
C111 C210 C209 112(2) . . ?
C111 C210 C211 12(2) . . ?
C209 C210 C211 113(2) . . ?
C111 C210 C110 65.7(17) . . ?
C209 C210 C110 94.2(19) . . ?
C211 C210 C110 53.6(16) . . ?
C111 C210 H21A 98.5 . . ?
C209 C210 H21A 109.1 . . ?
C211 C210 H21A 109.1 . . ?
C110 C210 H21A 155.8 . . ?
C111 C210 H21B 119.5 . . ?
C209 C210 H21B 109.1 . . ?
C211 C210 H21B 109.1 . . ?
C110 C210 H21B 68.9 . . ?
H21A C210 H21B 107.8 . . ?
C110 C211 C210 63.5(16) . . ?
C110 C211 P3' 139(2) . . ?
C210 C211 P3' 109.3(19) . . ?
C110 C211 P3 118.3(19) . . ?
C210 C211 P3 86.3(17) . . ?
P3' C211 P3 25.8(3) . . ?
C110 C211 H21C 48.8 . . ?
C210 C211 H21C 109.8 . . ?
P3' C211 H21C 109.8 . . ?
P3 C211 H21C 108.8 . . ?
C110 C211 H21D 110.1 . . ?
C210 C211 H21D 109.8 . . ?
P3' C211 H21D 109.8 . . ?
P3 C211 H21D 131.0 . . ?
H21C C211 H21D 108.3 . . ?
C112 C212 C113 88(3) . . ?
C112 C212 C217 57(3) . . ?
C113 C212 C217 89.4(19) . . ?
C112 C212 C213 88(3) . . ?
C113 C212 C213 32.0(11) . . ?
C217 C212 C213 116(2) . . ?
C112 C212 P3 97(3) . . ?
C113 C212 P3 153.3(16) . . ?
C217 C212 P3 115.4(18) . . ?
C213 C212 P3 121.6(15) . . ?
C112 C212 P3' 125(3) . . ?
C113 C212 P3' 133.0(17) . . ?
C217 C212 P3' 135(2) . . ?
C213 C212 P3' 108.4(15) . . ?
P3 C212 P3' 28.9(4) . . ?
C112 C212 C117 24(2) . . ?
C113 C212 C117 92.1(14) . . ?
C217 C212 C117 34.0(10) . . ?
C213 C212 C117 104.2(14) . . ?
P3 C212 C117 103.3(11) . . ?
P3' C212 C117 131.9(12) . . ?
C113 C213 C212 64(2) . . ?
C113 C213 C214 67(2) . . ?
C212 C213 C214 121(2) . . ?
C113 C213 C112 66(2) . . ?
C212 C213 C112 23.6(10) . . ?
C214 C213 C112 105(2) . . ?
C113 C213 C114 38.2(18) . . ?
C212 C213 C114 98.7(15) . . ?
C214 C213 C114 28.8(13) . . ?
C112 C213 C114 91.1(14) . . ?
C113 C213 H213 147.6 . . ?
C212 C213 H213 119.7 . . ?
C214 C213 H213 119.7 . . ?
C112 C213 H213 131.9 . . ?
C114 C213 H213 137.0 . . ?
C114 C214 C113 74(2) . . ?
C114 C214 C213 105(3) . . ?
C113 C214 C213 31.8(11) . . ?
C114 C214 C215 45(2) . . ?
C113 C214 C215 98(3) . . ?
C213 C214 C215 125(3) . . ?
C114 C214 C115 45.2(19) . . ?
C113 C214 C115 92.8(19) . . ?
C213 C214 C115 119(2) . . ?
C215 C214 C115 6.5(18) . . ?
C114 C214 H214 119.5 . . ?
C113 C214 H214 140.4 . . ?
C213 C214 H214 117.3 . . ?
C215 C214 H214 117.3 . . ?
C115 C214 H214 123.5 . . ?
C115 C215 C114 133(7) . . ?
C115 C215 C214 155(7) . . ?
C114 C215 C214 41.7(18) . . ?
C115 C215 C216 44(5) . . ?
C114 C215 C216 97(3) . . ?
C214 C215 C216 112(3) . . ?
C115 C215 C116 39(5) . . ?
C114 C215 C116 125(3) . . ?
C214 C215 C116 118(2) . . ?
C216 C215 C116 33.6(12) . . ?
C115 C215 C113 119(6) . . ?
C114 C215 C113 35.7(18) . . ?
C214 C215 C113 38.9(16) . . ?
C216 C215 C113 75(2) . . ?
C116 C215 C113 93.0(18) . . ?
C115 C215 H215 80.1 . . ?
C114 C215 H215 124.1 . . ?
C214 C215 H215 124.1 . . ?
C216 C215 H215 124.1 . . ?
C116 C215 H215 108.6 . . ?
C113 C215 H215 158.3 . . ?
C116 C216 C115 82(3) . . ?
C116 C216 C215 91(3) . . ?
C115 C216 C215 19(2) . . ?
C116 C216 C217 106(3) . . ?
C115 C216 C217 143(3) . . ?
C215 C216 C217 124(3) . . ?
C116 C216 C117 63(2) . . ?
C115 C216 C117 124(3) . . ?
C215 C216 C117 115(2) . . ?
C217 C216 C117 43.4(13) . . ?
C116 C216 C114 118(3) . . ?
C115 C216 C114 49.8(15) . . ?
C215 C216 C114 32.9(17) . . ?
C217 C216 C114 97(2) . . ?
C117 C216 C114 110(2) . . ?
C116 C216 H216 72.5 . . ?
C115 C216 H216 99.4 . . ?
C215 C216 H216 118.0 . . ?
C217 C216 H216 118.0 . . ?
C117 C216 H216 108.6 . . ?
C114 C216 H216 139.8 . . ?
C117 C217 C112 74.8(18) . . ?
C117 C217 C212 100.3(17) . . ?
C112 C217 C212 25.7(13) . . ?
C117 C217 C216 73(2) . . ?
C112 C217 C216 110(3) . . ?
C212 C217 C216 122(3) . . ?
C117 C217 C113 101(2) . . ?
C112 C217 C113 47.7(12) . . ?
C212 C217 C113 42.7(12) . . ?
C216 C217 C113 81(2) . . ?
C117 C217 C116 44.7(16) . . ?
C112 C217 C116 101(2) . . ?
C212 C217 C116 123(2) . . ?
C216 C217 C116 28.6(11) . . ?
C113 C217 C116 93.1(17) . . ?
C117 C217 H217 97.0 . . ?
C112 C217 H217 124.8 . . ?
C212 C217 H217 119.0 . . ?
C216 C217 H217 119.0 . . ?
C113 C217 H217 156.7 . . ?
C116 C217 H217 110.1 . . ?
C223 C218 C219 117.7(16) . . ?
C223 C218 P3' 125.1(13) . . ?
C219 C218 P3' 117.0(13) . . ?
C220 C219 C218 121(2) . . ?
C220 C219 H219 119.4 . . ?
C218 C219 H219 119.4 . . ?
C221 C220 C219 117(2) . . ?
C221 C220 H220 121.3 . . ?
C219 C220 H220 121.3 . . ?
C220 C221 C222 123(2) . . ?
C220 C221 H221 118.7 . . ?
C222 C221 H221 118.7 . . ?
C221 C222 C223 117.0(18) . . ?
C221 C222 H222 121.5 . . ?
C223 C222 H222 121.5 . . ?
C218 C223 C222 121.9(16) . . ?
C218 C223 H223 119.0 . . ?
C222 C223 H223 119.0 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Lu1 O1 2.184(4) . ?
Lu1 O2 2.188(3) . ?
Lu1 N2 2.291(4) . ?
Lu1 N1 2.302(4) . ?
Lu1 P1 2.7563(16) . ?
Lu1 C14 2.778(4) . ?
Lu1 Lu2 3.5317(4) . ?
Lu2 O2 2.207(3) . ?
Lu2 O1 2.217(4) . ?
Lu2 N5 2.294(4) . ?
Lu2 N4 2.312(4) . ?
Lu2 C1 2.321(6) . ?
Lu2 C53 2.758(5) . ?
N1 C14 1.346(6) . ?
N1 C15 1.436(6) . ?
N2 C14 1.361(6) . ?
N2 C41 1.429(6) . ?
N3 C14 1.377(6) . ?
N3 C27 1.467(6) . ?
N3 C34 1.478(6) . ?
N4 C53 1.341(6) . ?
N4 C54 1.427(6) . ?
N5 C53 1.358(6) . ?
N5 C80 1.429(6) . ?
N6 C53 1.375(6) . ?
N6 C73' 1.38(4) . ?
N6 C66 1.478(7) . ?
N6 C73 1.55(2) . ?
O1 C92 1.440(6) . ?
O2 C208 1.389(7) . ?
O2 C108 1.389(7) . ?
P1 C2 1.814(6) . ?
P1 C8 1.836(6) . ?
P2 C96 1.825(6) . ?
P2 C102 1.842(6) . ?
P2 C95 1.846(6) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C7 1.411(8) . ?
C2 C3 1.413(8) . ?
C3 C4 1.395(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.363(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.391(10) . ?
C5 H5 0.9500 . ?
C6 C7 1.358(9) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.350(8) . ?
C8 C13 1.377(10) . ?
C9 C10 1.382(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.355(13) . ?
C10 H10 0.9500 . ?
C11 C12 1.332(13) . ?
C11 H11 0.9500 . ?
C12 C13 1.383(11) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C15 C20 1.400(7) . ?
C15 C16 1.411(8) . ?
C16 C17 1.383(8) . ?
C16 C21 1.518(8) . ?
C17 C18 1.382(10) . ?
C17 H17 0.9500 . ?
C18 C19 1.369(10) . ?
C18 H18 0.9500 . ?
C19 C20 1.395(8) . ?
C19 H19 0.9500 . ?
C20 C24 1.511(8) . ?
C21 C22 1.510(8) . ?
C21 C23 1.534(8) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C26 1.524(8) . ?
C24 C25 1.535(8) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.512(7) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.388(7) . ?
C28 C33 1.393(8) . ?
C29 C30 1.391(8) . ?
C29 H29 0.9500 . ?
C30 C31 1.375(9) . ?
C30 H30 0.9500 . ?
C31 C32 1.380(9) . ?
C31 H31 0.9500 . ?
C32 C33 1.380(8) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C35 1.509(7) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C40 1.380(8) . ?
C35 C36 1.394(7) . ?
C36 C37 1.366(8) . ?
C36 H36 0.9500 . ?
C37 C38 1.373(10) . ?
C37 H37 0.9500 . ?
C38 C39 1.419(9) . ?
C38 H38 0.9500 . ?
C39 C40 1.377(9) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C46 1.407(7) . ?
C41 C42 1.414(7) . ?
C42 C43 1.392(7) . ?
C42 C47 1.517(7) . ?
C43 C44 1.375(8) . ?
C43 H43 0.9500 . ?
C44 C45 1.381(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.392(7) . ?
C45 H45 0.9500 . ?
C46 C50 1.518(8) . ?
C47 C48 1.524(7) . ?
C47 C49 1.525(8) . ?
C47 H47 1.0000 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C51 1.519(9) . ?
C50 C52 1.546(9) . ?
C50 H50 1.0000 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C54 C59 1.400(7) . ?
C54 C55 1.408(7) . ?
C55 C56 1.375(8) . ?
C55 C60 1.514(8) . ?
C56 C57 1.392(11) . ?
C56 H56 0.9500 . ?
C57 C58 1.356(11) . ?
C57 H57 0.9500 . ?
C58 C59 1.402(9) . ?
C58 H58 0.9500 . ?
C59 C63 1.515(9) . ?
C60 C62 1.475(11) . ?
C60 C61 1.535(9) . ?
C60 H60 1.0000 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C65 1.526(11) . ?
C63 C64 1.534(10) . ?
C63 H63 1.0000 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 C67 1.512(8) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C72 1.367(10) . ?
C67 C68 1.380(9) . ?
C68 C69 1.395(9) . ?
C68 H68 0.9500 . ?
C69 C70 1.358(11) . ?
C69 H69 0.9500 . ?
C70 C71 1.400(13) . ?
C70 H70 0.9500 . ?
C71 C72 1.407(11) . ?
C71 H71 0.9500 . ?
C72 H72 0.9500 . ?
C80 C85 1.400(10) . ?
C80 C81 1.405(9) . ?
C81 C82 1.388(11) . ?
C81 C86 1.509(12) . ?
C82 C83 1.345(15) . ?
C82 H82 0.9500 . ?
C83 C84 1.389(15) . ?
C83 H83 0.9500 . ?
C84 C85 1.408(10) . ?
C84 H84 0.9500 . ?
C85 C89 1.510(11) . ?
C86 C87 1.538(12) . ?
C86 C88 1.542(11) . ?
C86 H86 1.0000 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89 C91 1.551(10) . ?
C89 C90 1.552(12) . ?
C89 H89 1.0000 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 C93 1.463(8) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 C94 1.519(8) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95 1.514(8) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 C101 1.385(8) . ?
C96 C97 1.399(8) . ?
C97 C98 1.384(9) . ?
C97 H97 0.9500 . ?
C98 C99 1.361(10) . ?
C98 H98 0.9500 . ?
C99 C100 1.380(11) . ?
C99 H99 0.9500 . ?
C100 C101 1.394(9) . ?
C100 H100 0.9500 . ?
C101 H101 0.9500 . ?
C102 C107 1.370(9) . ?
C102 C103 1.382(9) . ?
C103 C104 1.377(10) . ?
C103 H103 0.9500 . ?
C104 C105 1.371(11) . ?
C104 H104 0.9500 . ?
C105 C106 1.356(10) . ?
C105 H105 0.9500 . ?
C106 C107 1.398(9) . ?
C106 H106 0.9500 . ?
C107 H107 0.9500 . ?
C73 C74 1.55(2) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.374(15) . ?
C74 C79 1.374(13) . ?
C75 C76 1.387(16) . ?
C75 H75 0.9500 . ?
C76 C77 1.400(16) . ?
C76 H76 0.9500 . ?
C77 C78 1.34(3) . ?
C77 H77 0.9500 . ?
C78 C79 1.411(14) . ?
C78 H78 0.9500 . ?
C79 H79 0.9500 . ?
C73' C74' 1.510(18) . ?
C73' H73C 0.9900 . ?
C73' H73D 0.9900 . ?
C74' C75' 1.3900 . ?
C74' C79' 1.3900 . ?
C75' C76' 1.3900 . ?
C75' H75' 0.9500 . ?
C76' C77' 1.3900 . ?
C76' H76' 0.9500 . ?
C77' C78' 1.3900 . ?
C77' H77' 0.9500 . ?
C78' C79' 1.3900 . ?
C78' H78' 0.9500 . ?
C79' H79' 0.9500 . ?
P3 P3' 0.864(8) . ?
P3 C212 1.662(19) . ?
P3 C118 1.823(10) . ?
P3 C112 1.837(12) . ?
P3 C111 1.873(17) . ?
P3 C211 1.96(2) . ?
C108 C109 1.386(11) . ?
C108 C209 1.423(14) . ?
C108 H10A 0.9900 . ?
C108 H10B 0.9900 . ?
C109 C208 1.386(11) . ?
C109 C110 1.527(15) . ?
C109 H10C 0.9900 . ?
C109 H10D 0.9900 . ?
C110 C211 1.35(3) . ?
C110 C210 1.50(3) . ?
C110 C111 1.511(18) . ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
C111 C210 1.27(4) . ?
C111 P3' 1.874(19) . ?
C111 H11C 0.9900 . ?
C111 H11D 0.9900 . ?
C112 C212 0.60(2) . ?
C112 C217 1.16(3) . ?
C112 C117 1.358(13) . ?
C112 C113 1.370(13) . ?
C112 C213 1.50(3) . ?
C112 P3' 2.172(16) . ?
C113 C213 0.74(2) . ?
C113 C212 1.25(3) . ?
C113 C214 1.29(3) . ?
C113 C114 1.359(14) . ?
C113 C217 1.85(3) . ?
C113 C215 2.03(4) . ?
C113 H113 0.9500 . ?
C114 C214 0.93(3) . ?
C114 C215 0.98(4) . ?
C114 C115 1.376(16) . ?
C114 C216 1.80(4) . ?
C114 C213 1.86(3) . ?
C114 H114 0.9500 . ?
C115 C215 0.50(4) . ?
C115 C216 1.09(4) . ?
C115 C116 1.336(17) . ?
C115 C214 1.86(4) . ?
C115 H115 0.9500 . ?
C116 C216 0.93(3) . ?
C116 C117 1.35(2) . ?
C116 C215 1.69(4) . ?
C116 C217 1.88(3) . ?
C116 H116 0.9500 . ?
C117 C217 1.07(3) . ?
C117 C216 1.49(3) . ?
C117 C212 1.88(2) . ?
C117 H117 0.9500 . ?
C118 C119 1.3900 . ?
C118 C123 1.3900 . ?
C119 C120 1.3900 . ?
C119 H119 0.9500 . ?
C120 C121 1.3900 . ?
C120 H120 0.9500 . ?
C121 C122 1.3900 . ?
C121 H121 0.9500 . ?
C122 C123 1.3900 . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
P3' C218 1.775(15) . ?
P3' C212 1.776(17) . ?
P3' C211 1.898(18) . ?
C208 C209 1.423(14) . ?
C208 H20A 0.9900 . ?
C208 H20B 0.9900 . ?
C209 C210 1.487(18) . ?
C209 H20C 0.9900 . ?
C209 H20D 0.9900 . ?
C210 C211 1.489(19) . ?
C210 H21A 0.9900 . ?
C210 H21B 0.9900 . ?
C211 H21C 0.9900 . ?
C211 H21D 0.9900 . ?
C212 C217 1.371(18) . ?
C212 C213 1.388(9) . ?
C213 C214 1.390(10) . ?
C213 H213 0.9500 . ?
C214 C215 1.394(10) . ?
C214 H214 0.9500 . ?
C215 C216 1.395(10) . ?
C215 H215 0.9500 . ?
C216 C217 1.40(4) . ?
C216 H216 0.9500 . ?
C217 H217 0.9500 . ?
C218 C223 1.363(15) . ?
C218 C219 1.388(16) . ?
C219 C220 1.382(17) . ?
C219 H219 0.9500 . ?
C220 C221 1.350(18) . ?
C220 H220 0.9500 . ?
C221 C222 1.361(17) . ?
C221 H221 0.9500 . ?
C222 C223 1.386(17) . ?
C222 H222 0.9500 . ?
C223 H223 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C8 P1 C2 C7 -177.2(5) . . . . ?
Lu1 P1 C2 C7 -42.6(5) . . . . ?
C8 P1 C2 C3 5.2(5) . . . . ?
Lu1 P1 C2 C3 139.8(4) . . . . ?
C7 C2 C3 C4 2.5(8) . . . . ?
P1 C2 C3 C4 -179.8(5) . . . . ?
C2 C3 C4 C5 -1.4(10) . . . . ?
C3 C4 C5 C6 0.0(10) . . . . ?
C4 C5 C6 C7 0.2(11) . . . . ?
C5 C6 C7 C2 1.0(11) . . . . ?
C3 C2 C7 C6 -2.3(9) . . . . ?
P1 C2 C7 C6 179.9(5) . . . . ?
C2 P1 C8 C9 -105.0(6) . . . . ?
Lu1 P1 C8 C9 118.4(5) . . . . ?
C2 P1 C8 C13 68.6(8) . . . . ?
Lu1 P1 C8 C13 -68.1(8) . . . . ?
C13 C8 C9 C10 3.9(12) . . . . ?
P1 C8 C9 C10 178.0(7) . . . . ?
C8 C9 C10 C11 -2.4(14) . . . . ?
C9 C10 C11 C12 0.5(14) . . . . ?
C10 C11 C12 C13 -0.4(16) . . . . ?
C9 C8 C13 C12 -3.7(14) . . . . ?
P1 C8 C13 C12 -177.4(8) . . . . ?
C11 C12 C13 C8 2.1(17) . . . . ?
C15 N1 C14 N2 -179.2(5) . . . . ?
Lu1 N1 C14 N2 -3.4(4) . . . . ?
C15 N1 C14 N3 -1.1(9) . . . . ?
Lu1 N1 C14 N3 174.8(4) . . . . ?
C15 N1 C14 Lu1 -175.8(6) . . . . ?
C41 N2 C14 N1 -153.9(5) . . . . ?
Lu1 N2 C14 N1 3.4(4) . . . . ?
C41 N2 C14 N3 27.9(8) . . . . ?
Lu1 N2 C14 N3 -174.8(4) . . . . ?
C41 N2 C14 Lu1 -157.3(6) . . . . ?
C27 N3 C14 N1 -1.0(8) . . . . ?
C34 N3 C14 N1 -163.1(5) . . . . ?
C27 N3 C14 N2 176.9(5) . . . . ?
C34 N3 C14 N2 14.8(7) . . . . ?
C14 N1 C15 C20 107.4(6) . . . . ?
Lu1 N1 C15 C20 -67.0(6) . . . . ?
C14 N1 C15 C16 -79.1(7) . . . . ?
Lu1 N1 C15 C16 106.5(5) . . . . ?
C20 C15 C16 C17 0.6(8) . . . . ?
N1 C15 C16 C17 -172.8(5) . . . . ?
C20 C15 C16 C21 -180.0(5) . . . . ?
N1 C15 C16 C21 6.6(7) . . . . ?
C15 C16 C17 C18 0.1(10) . . . . ?
C21 C16 C17 C18 -179.3(7) . . . . ?
C16 C17 C18 C19 -0.5(13) . . . . ?
C17 C18 C19 C20 0.2(13) . . . . ?
C18 C19 C20 C15 0.5(10) . . . . ?
C18 C19 C20 C24 -176.5(7) . . . . ?
C16 C15 C20 C19 -0.9(8) . . . . ?
N1 C15 C20 C19 172.5(5) . . . . ?
C16 C15 C20 C24 176.0(5) . . . . ?
N1 C15 C20 C24 -10.6(7) . . . . ?
C17 C16 C21 C22 95.0(6) . . . . ?
C15 C16 C21 C22 -84.4(6) . . . . ?
C17 C16 C21 C23 -30.2(7) . . . . ?
C15 C16 C21 C23 150.4(5) . . . . ?
C19 C20 C24 C26 79.1(7) . . . . ?
C15 C20 C24 C26 -97.8(6) . . . . ?
C19 C20 C24 C25 -45.1(7) . . . . ?
C15 C20 C24 C25 138.0(6) . . . . ?
C14 N3 C27 C28 141.7(5) . . . . ?
C34 N3 C27 C28 -54.7(6) . . . . ?
N3 C27 C28 C29 131.1(5) . . . . ?
N3 C27 C28 C33 -53.7(7) . . . . ?
C33 C28 C29 C30 -0.6(8) . . . . ?
C27 C28 C29 C30 174.9(5) . . . . ?
C28 C29 C30 C31 0.7(9) . . . . ?
C29 C30 C31 C32 -0.7(10) . . . . ?
C30 C31 C32 C33 0.5(9) . . . . ?
C31 C32 C33 C28 -0.4(9) . . . . ?
C29 C28 C33 C32 0.4(8) . . . . ?
C27 C28 C33 C32 -175.0(5) . . . . ?
C14 N3 C34 C35 114.7(5) . . . . ?
C27 N3 C34 C35 -49.3(6) . . . . ?
N3 C34 C35 C40 -53.7(7) . . . . ?
N3 C34 C35 C36 125.9(5) . . . . ?
C40 C35 C36 C37 -0.3(9) . . . . ?
C34 C35 C36 C37 -179.9(5) . . . . ?
C35 C36 C37 C38 1.8(9) . . . . ?
C36 C37 C38 C39 -1.8(10) . . . . ?
C37 C38 C39 C40 0.3(10) . . . . ?
C38 C39 C40 C35 1.2(10) . . . . ?
C36 C35 C40 C39 -1.2(9) . . . . ?
C34 C35 C40 C39 178.4(6) . . . . ?
C14 N2 C41 C46 -122.2(5) . . . . ?
Lu1 N2 C41 C46 87.6(5) . . . . ?
C14 N2 C41 C42 66.3(7) . . . . ?
Lu1 N2 C41 C42 -84.0(5) . . . . ?
C46 C41 C42 C43 -3.4(7) . . . . ?
N2 C41 C42 C43 168.1(4) . . . . ?
C46 C41 C42 C47 175.9(4) . . . . ?
N2 C41 C42 C47 -12.5(7) . . . . ?
C41 C42 C43 C44 1.7(7) . . . . ?
C47 C42 C43 C44 -177.7(5) . . . . ?
C42 C43 C44 C45 1.1(8) . . . . ?
C43 C44 C45 C46 -2.3(8) . . . . ?
C44 C45 C46 C41 0.5(7) . . . . ?
C44 C45 C46 C50 177.5(5) . . . . ?
C42 C41 C46 C45 2.3(7) . . . . ?
N2 C41 C46 C45 -169.3(4) . . . . ?
C42 C41 C46 C50 -174.5(5) . . . . ?
N2 C41 C46 C50 13.9(7) . . . . ?
C43 C42 C47 C48 59.9(6) . . . . ?
C41 C42 C47 C48 -119.4(5) . . . . ?
C43 C42 C47 C49 -63.9(6) . . . . ?
C41 C42 C47 C49 116.7(5) . . . . ?
C45 C46 C50 C51 60.1(7) . . . . ?
C41 C46 C50 C51 -123.0(6) . . . . ?
C45 C46 C50 C52 -62.4(6) . . . . ?
C41 C46 C50 C52 114.4(6) . . . . ?
C54 N4 C53 N5 -176.5(5) . . . . ?
Lu2 N4 C53 N5 -10.8(4) . . . . ?
C54 N4 C53 N6 2.6(8) . . . . ?
Lu2 N4 C53 N6 168.4(4) . . . . ?
C54 N4 C53 Lu2 -165.7(6) . . . . ?
C80 N5 C53 N4 -155.2(5) . . . . ?
Lu2 N5 C53 N4 10.9(4) . . . . ?
C80 N5 C53 N6 25.6(8) . . . . ?
Lu2 N5 C53 N6 -168.3(4) . . . . ?
C80 N5 C53 Lu2 -166.1(6) . . . . ?
C73' N6 C53 N4 22.6(18) . . . . ?
C66 N6 C53 N4 -153.7(5) . . . . ?
C73 N6 C53 N4 8.3(12) . . . . ?
C73' N6 C53 N5 -158.3(17) . . . . ?
C66 N6 C53 N5 25.3(7) . . . . ?
C73 N6 C53 N5 -172.6(11) . . . . ?
C53 N4 C54 C59 88.5(7) . . . . ?
Lu2 N4 C54 C59 -71.6(6) . . . . ?
C53 N4 C54 C55 -99.0(6) . . . . ?
Lu2 N4 C54 C55 100.9(5) . . . . ?
C59 C54 C55 C56 0.0(8) . . . . ?
N4 C54 C55 C56 -172.7(5) . . . . ?
C59 C54 C55 C60 -179.8(5) . . . . ?
N4 C54 C55 C60 7.5(7) . . . . ?
C54 C55 C56 C57 1.3(10) . . . . ?
C60 C55 C56 C57 -178.8(6) . . . . ?
C55 C56 C57 C58 -0.5(12) . . . . ?
C56 C57 C58 C59 -1.7(12) . . . . ?
C55 C54 C59 C58 -2.0(8) . . . . ?
N4 C54 C59 C58 170.3(5) . . . . ?
C55 C54 C59 C63 178.3(6) . . . . ?
N4 C54 C59 C63 -9.4(9) . . . . ?
C57 C58 C59 C54 2.9(11) . . . . ?
C57 C58 C59 C63 -177.4(7) . . . . ?
C56 C55 C60 C62 73.8(10) . . . . ?
C54 C55 C60 C62 -106.4(9) . . . . ?
C56 C55 C60 C61 -50.5(8) . . . . ?
C54 C55 C60 C61 129.3(6) . . . . ?
C54 C59 C63 C65 -117.2(7) . . . . ?
C58 C59 C63 C65 63.2(9) . . . . ?
C54 C59 C63 C64 119.3(7) . . . . ?
C58 C59 C63 C64 -60.4(9) . . . . ?
C53 N6 C66 C67 112.8(6) . . . . ?
C73' N6 C66 C67 -64.1(15) . . . . ?
C73 N6 C66 C67 -49.8(11) . . . . ?
N6 C66 C67 C72 -74.8(9) . . . . ?
N6 C66 C67 C68 108.8(6) . . . . ?
C72 C67 C68 C69 1.3(10) . . . . ?
C66 C67 C68 C69 177.7(6) . . . . ?
C67 C68 C69 C70 -1.3(11) . . . . ?
C68 C69 C70 C71 -0.3(13) . . . . ?
C69 C70 C71 C72 1.8(14) . . . . ?
C68 C67 C72 C71 0.4(12) . . . . ?
C66 C67 C72 C71 -176.1(8) . . . . ?
C70 C71 C72 C67 -1.9(14) . . . . ?
C53 N5 C80 C85 62.6(8) . . . . ?
Lu2 N5 C80 C85 -97.1(6) . . . . ?
C53 N5 C80 C81 -124.1(6) . . . . ?
Lu2 N5 C80 C81 76.3(8) . . . . ?
C85 C80 C81 C82 2.2(10) . . . . ?
N5 C80 C81 C82 -171.0(6) . . . . ?
C85 C80 C81 C86 -178.2(6) . . . . ?
N5 C80 C81 C86 8.6(9) . . . . ?
C80 C81 C82 C83 -1.6(12) . . . . ?
C86 C81 C82 C83 178.8(8) . . . . ?
C81 C82 C83 C84 -0.6(14) . . . . ?
C82 C83 C84 C85 2.2(13) . . . . ?
C81 C80 C85 C84 -0.7(10) . . . . ?
N5 C80 C85 C84 172.5(6) . . . . ?
C81 C80 C85 C89 -175.6(6) . . . . ?
N5 C80 C85 C89 -2.4(9) . . . . ?
C83 C84 C85 C80 -1.5(11) . . . . ?
C83 C84 C85 C89 173.5(7) . . . . ?
C82 C81 C86 C87 -57.0(10) . . . . ?
C80 C81 C86 C87 123.4(8) . . . . ?
C82 C81 C86 C88 66.0(9) . . . . ?
C80 C81 C86 C88 -113.6(8) . . . . ?
C80 C85 C89 C91 -156.4(7) . . . . ?
C84 C85 C89 C91 28.8(10) . . . . ?
C80 C85 C89 C90 78.5(8) . . . . ?
C84 C85 C89 C90 -96.3(8) . . . . ?
Lu1 O1 C92 C93 106.2(5) . . . . ?
Lu2 O1 C92 C93 -99.6(5) . . . . ?
O1 C92 C93 C94 178.4(5) . . . . ?
C92 C93 C94 C95 177.9(5) . . . . ?
C93 C94 C95 P2 173.4(4) . . . . ?
C96 P2 C95 C94 65.2(5) . . . . ?
C102 P2 C95 C94 168.7(5) . . . . ?
C102 P2 C96 C101 128.2(4) . . . . ?
C95 P2 C96 C101 -128.4(5) . . . . ?
C102 P2 C96 C97 -54.8(5) . . . . ?
C95 P2 C96 C97 48.6(5) . . . . ?
C101 C96 C97 C98 -0.3(8) . . . . ?
P2 C96 C97 C98 -177.3(4) . . . . ?
C96 C97 C98 C99 0.7(9) . . . . ?
C97 C98 C99 C100 -1.2(10) . . . . ?
C98 C99 C100 C101 1.2(10) . . . . ?
C97 C96 C101 C100 0.3(8) . . . . ?
P2 C96 C101 C100 177.5(5) . . . . ?
C99 C100 C101 C96 -0.8(9) . . . . ?
C96 P2 C102 C107 -37.9(6) . . . . ?
C95 P2 C102 C107 -140.0(6) . . . . ?
C96 P2 C102 C103 151.2(6) . . . . ?
C95 P2 C102 C103 49.2(6) . . . . ?
C107 C102 C103 C104 3.0(12) . . . . ?
P2 C102 C103 C104 174.2(7) . . . . ?
C102 C103 C104 C105 -0.4(14) . . . . ?
C103 C104 C105 C106 -1.9(14) . . . . ?
C104 C105 C106 C107 1.6(13) . . . . ?
C103 C102 C107 C106 -3.2(11) . . . . ?
P2 C102 C107 C106 -174.3(6) . . . . ?
C105 C106 C107 C102 1.0(12) . . . . ?
C53 N6 C73 C74 140.2(13) . . . . ?
C66 N6 C73 C74 -57(2) . . . . ?
N6 C73 C74 C75 136.7(15) . . . . ?
N6 C73 C74 C79 -48(2) . . . . ?
C79 C74 C75 C76 0.8(18) . . . . ?
C73 C74 C75 C76 176.1(14) . . . . ?
C74 C75 C76 C77 2(2) . . . . ?
C75 C76 C77 C78 -6(3) . . . . ?
C76 C77 C78 C79 6(3) . . . . ?
C75 C74 C79 C78 -1(2) . . . . ?
C73 C74 C79 C78 -175.7(17) . . . . ?
C77 C78 C79 C74 -3(3) . . . . ?
C53 N6 C73' C74' 131.8(18) . . . . ?
C66 N6 C73' C74' -52(3) . . . . ?
N6 C73' C74' C75' -22(4) . . . . ?
N6 C73' C74' C79' 158.6(19) . . . . ?
C79' C74' C75' C76' 0.0 . . . . ?
C73' C74' C75' C76' -180(2) . . . . ?
C74' C75' C76' C77' 0.0 . . . . ?
C75' C76' C77' C78' 0.0 . . . . ?
C76' C77' C78' C79' 0.0 . . . . ?
C77' C78' C79' C74' 0.0 . . . . ?
C75' C74' C79' C78' 0.0 . . . . ?
C73' C74' C79' C78' 180(2) . . . . ?
C208 O2 C108 C109 0(100) . . . . ?
Lu1 O2 C108 C109 -31.8(9) . . . . ?
Lu2 O2 C108 C109 136.0(7) . . . . ?
C208 O2 C108 C209 0(5) . . . . ?
Lu1 O2 C108 C209 138.7(18) . . . . ?
Lu2 O2 C108 C209 -53(2) . . . . ?
O2 C108 C109 C208 0(7) . . . . ?
C209 C108 C109 C208 0(100) . . . . ?
O2 C108 C109 C110 174.1(9) . . . . ?
C209 C108 C109 C110 -0.3(15) . . . . ?
C208 C109 C110 C211 68(2) . . . . ?
C108 C109 C110 C211 68(2) . . . . ?
C208 C109 C110 C210 0.0(19) . . . . ?
C108 C109 C110 C210 0.0(19) . . . . ?
C208 C109 C110 C111 53.1(19) . . . . ?
C108 C109 C110 C111 53.1(19) . . . . ?
C211 C110 C111 C210 169(8) . . . . ?
C109 C110 C111 C210 -89(2) . . . . ?
C211 C110 C111 P3 83(7) . . . . ?
C210 C110 C111 P3 -86(2) . . . . ?
C109 C110 C111 P3 -174.9(11) . . . . ?
C211 C110 C111 P3' 56(7) . . . . ?
C210 C110 C111 P3' -113(3) . . . . ?
C109 C110 C111 P3' 157.9(15) . . . . ?
P3' P3 C111 C210 168(2) . . . . ?
C212 P3 C111 C210 -112(2) . . . . ?
C118 P3 C111 C210 13(2) . . . . ?
C112 P3 C111 C210 -95(2) . . . . ?
C211 P3 C111 C210 -122(8) . . . . ?
P3' P3 C111 C110 -126.8(18) . . . . ?
C212 P3 C111 C110 -46.6(18) . . . . ?
C118 P3 C111 C110 78.4(16) . . . . ?
C112 P3 C111 C110 -29.8(19) . . . . ?
C211 P3 C111 C110 -57(7) . . . . ?
C212 P3 C111 P3' 80.3(10) . . . . ?
C118 P3 C111 P3' -154.8(9) . . . . ?
C112 P3 C111 P3' 97.0(10) . . . . ?
C211 P3 C111 P3' 70(7) . . . . ?
P3' P3 C112 C212 18(3) . . . . ?
C118 P3 C112 C212 -168(3) . . . . ?
C111 P3 C112 C212 -62(3) . . . . ?
C211 P3 C112 C212 -57(3) . . . . ?
P3' P3 C112 C217 102.8(19) . . . . ?
C212 P3 C112 C217 85(3) . . . . ?
C118 P3 C112 C217 -83.0(18) . . . . ?
C111 P3 C112 C217 23(2) . . . . ?
C211 P3 C112 C217 28.2(19) . . . . ?
P3' P3 C112 C117 159.2(13) . . . . ?
C212 P3 C112 C117 141(4) . . . . ?
C118 P3 C112 C117 -26.6(12) . . . . ?
C111 P3 C112 C117 79.6(14) . . . . ?
C211 P3 C112 C117 84.6(13) . . . . ?
P3' P3 C112 C113 -11.1(16) . . . . ?
C212 P3 C112 C113 -29(2) . . . . ?
C118 P3 C112 C113 163.0(12) . . . . ?
C111 P3 C112 C113 -90.8(15) . . . . ?
C211 P3 C112 C113 -85.8(15) . . . . ?
P3' P3 C112 C213 -37.1(15) . . . . ?
C212 P3 C112 C213 -55(3) . . . . ?
C118 P3 C112 C213 137.0(12) . . . . ?
C111 P3 C112 C213 -116.7(14) . . . . ?
C211 P3 C112 C213 -111.7(14) . . . . ?
C212 P3 C112 P3' -18(3) . . . . ?
C118 P3 C112 P3' 174.1(10) . . . . ?
C111 P3 C112 P3' -79.6(11) . . . . ?
C211 P3 C112 P3' -74.6(10) . . . . ?
C212 C112 C113 C213 -87(3) . . . . ?
C217 C112 C113 C213 177(3) . . . . ?
C117 C112 C113 C213 131(3) . . . . ?
P3 C112 C113 C213 -59(2) . . . . ?
P3' C112 C113 C213 -63(2) . . . . ?
C217 C112 C113 C212 -96(3) . . . . ?
C117 C112 C113 C212 -142(4) . . . . ?
C213 C112 C113 C212 87(3) . . . . ?
P3 C112 C113 C212 29(2) . . . . ?
P3' C112 C113 C212 24(3) . . . . ?
C212 C112 C113 C214 -165(3) . . . . ?
C217 C112 C113 C214 99(3) . . . . ?
C117 C112 C113 C214 53(2) . . . . ?
C213 C112 C113 C214 -77(2) . . . . ?
P3 C112 C113 C214 -136.1(18) . . . . ?
P3' C112 C113 C214 -140.5(18) . . . . ?
C212 C112 C113 C114 147(3) . . . . ?
C217 C112 C113 C114 51(2) . . . . ?
C117 C112 C113 C114 5(2) . . . . ?
C213 C112 C113 C114 -125(3) . . . . ?
P3 C112 C113 C114 176.0(12) . . . . ?
P3' C112 C113 C114 171.6(13) . . . . ?
C212 C112 C113 C217 96(3) . . . . ?
C117 C112 C113 C217 -46.3(17) . . . . ?
C213 C112 C113 C217 -177(3) . . . . ?
P3 C112 C113 C217 125(2) . . . . ?
P3' C112 C113 C217 120.2(19) . . . . ?
C212 C112 C113 C215 154(3) . . . . ?
C217 C112 C113 C215 58.3(19) . . . . ?
C117 C112 C113 C215 12.0(17) . . . . ?
C213 C112 C113 C215 -119(2) . . . . ?
P3 C112 C113 C215 -177.1(11) . . . . ?
P3' C112 C113 C215 178.5(9) . . . . ?
C213 C113 C114 C214 -11(3) . . . . ?
C212 C113 C114 C214 120(3) . . . . ?
C112 C113 C114 C214 96(3) . . . . ?
C217 C113 C114 C214 126(3) . . . . ?
C215 C113 C114 C214 80(3) . . . . ?
C213 C113 C114 C215 -91(4) . . . . ?
C212 C113 C114 C215 40(4) . . . . ?
C214 C113 C114 C215 -80(3) . . . . ?
C112 C113 C114 C215 16(3) . . . . ?
C217 C113 C114 C215 46(3) . . . . ?
C213 C113 C114 C115 -108(3) . . . . ?
C212 C113 C114 C115 23(4) . . . . ?
C214 C113 C114 C115 -97(3) . . . . ?
C112 C113 C114 C115 -1(3) . . . . ?
C217 C113 C114 C115 29(2) . . . . ?
C215 C113 C114 C115 -17(2) . . . . ?
C213 C113 C114 C216 -128(3) . . . . ?
C212 C113 C114 C216 2(3) . . . . ?
C214 C113 C114 C216 -117(3) . . . . ?
C112 C113 C114 C216 -21.1(18) . . . . ?
C217 C113 C114 C216 8.5(11) . . . . ?
C215 C113 C114 C216 -37(2) . . . . ?
C212 C113 C114 C213 130(5) . . . . ?
C214 C113 C114 C213 11(3) . . . . ?
C112 C113 C114 C213 107(4) . . . . ?
C217 C113 C114 C213 136(4) . . . . ?
C215 C113 C114 C213 91(4) . . . . ?
C214 C114 C115 C215 37(10) . . . . ?
C113 C114 C115 C215 107(9) . . . . ?
C216 C114 C115 C215 141(10) . . . . ?
C213 C114 C115 C215 85(9) . . . . ?
C214 C114 C115 C216 -105(3) . . . . ?
C215 C114 C115 C216 -141(10) . . . . ?
C113 C114 C115 C216 -34(3) . . . . ?
C213 C114 C115 C216 -56(3) . . . . ?
C214 C114 C115 C116 -71(3) . . . . ?
C215 C114 C115 C116 -108(10) . . . . ?
C113 C114 C115 C116 -1(3) . . . . ?
C216 C114 C115 C116 33.4(17) . . . . ?
C213 C114 C115 C116 -23(3) . . . . ?
C215 C114 C115 C214 -37(10) . . . . ?
C113 C114 C115 C214 70(2) . . . . ?
C216 C114 C115 C214 105(3) . . . . ?
C213 C114 C115 C214 48(2) . . . . ?
C215 C115 C116 C216 -92(8) . . . . ?
C114 C115 C116 C216 -53(3) . . . . ?
C214 C115 C116 C216 -82(3) . . . . ?
C215 C115 C116 C117 -41(8) . . . . ?
C216 C115 C116 C117 51(3) . . . . ?
C114 C115 C116 C117 -2(3) . . . . ?
C214 C115 C116 C117 -31(2) . . . . ?
C216 C115 C116 C215 92(8) . . . . ?
C114 C115 C116 C215 39(7) . . . . ?
C214 C115 C116 C215 10(6) . . . . ?
C215 C115 C116 C217 -66(8) . . . . ?
C216 C115 C116 C217 26(3) . . . . ?
C114 C115 C116 C217 -27(2) . . . . ?
C214 C115 C116 C217 -55.8(18) . . . . ?
C216 C116 C117 C217 -10(3) . . . . ?
C115 C116 C117 C217 -50(2) . . . . ?
C215 C116 C117 C217 -59(2) . . . . ?
C216 C116 C117 C112 46(3) . . . . ?
C115 C116 C117 C112 6(2) . . . . ?
C215 C116 C117 C112 -2.8(19) . . . . ?
C217 C116 C117 C112 56(2) . . . . ?
C115 C116 C117 C216 -40(2) . . . . ?
C215 C116 C117 C216 -49.3(19) . . . . ?
C217 C116 C117 C216 10(3) . . . . ?
C216 C116 C117 C212 34(3) . . . . ?
C115 C116 C117 C212 -6(2) . . . . ?
C215 C116 C117 C212 -15.3(19) . . . . ?
C217 C116 C117 C212 43.7(17) . . . . ?
C212 C112 C117 C217 -12(6) . . . . ?
C113 C112 C117 C217 72(3) . . . . ?
C213 C112 C117 C217 102(3) . . . . ?
P3 C112 C117 C217 -99(3) . . . . ?
P3' C112 C117 C217 -87(3) . . . . ?
C212 C112 C117 C116 -92(5) . . . . ?
C217 C112 C117 C116 -80(3) . . . . ?
C113 C112 C117 C116 -8(2) . . . . ?
C213 C112 C117 C116 22(3) . . . . ?
P3 C112 C117 C116 -179.3(11) . . . . ?
P3' C112 C117 C116 -166.5(13) . . . . ?
C212 C112 C117 C216 -65(5) . . . . ?
C217 C112 C117 C216 -53(3) . . . . ?
C113 C112 C117 C216 18.6(18) . . . . ?
C213 C112 C117 C216 48(2) . . . . ?
P3 C112 C117 C216 -152.6(14) . . . . ?
P3' C112 C117 C216 -139.8(18) . . . . ?
C217 C112 C117 C212 12(6) . . . . ?
C113 C112 C117 C212 84(5) . . . . ?
C213 C112 C117 C212 114(6) . . . . ?
P3 C112 C117 C212 -87(5) . . . . ?
P3' C112 C117 C212 -75(5) . . . . ?
P3' P3 C118 C119 -69(2) . . . . ?
C212 P3 C118 C119 120.1(10) . . . . ?
C112 P3 C118 C119 124.7(7) . . . . ?
C111 P3 C118 C119 11.8(10) . . . . ?
C211 P3 C118 C119 19.7(13) . . . . ?
P3' P3 C118 C123 106(2) . . . . ?
C212 P3 C118 C123 -65.2(11) . . . . ?
C112 P3 C118 C123 -60.6(7) . . . . ?
C111 P3 C118 C123 -173.5(9) . . . . ?
C211 P3 C118 C123 -165.6(12) . . . . ?
C123 C118 C119 C120 0.0 . . . . ?
P3 C118 C119 C120 174.6(8) . . . . ?
C118 C119 C120 C121 0.0 . . . . ?
C119 C120 C121 C122 0.0 . . . . ?
C120 C121 C122 C123 0.0 . . . . ?
C121 C122 C123 C118 0.0 . . . . ?
C119 C118 C123 C122 0.0 . . . . ?
P3 C118 C123 C122 -174.9(8) . . . . ?
C212 P3 P3' C218 -36(6) . . . . ?
C118 P3 P3' C218 152(5) . . . . ?
C112 P3 P3' C218 -42(6) . . . . ?
C111 P3 P3' C218 65(6) . . . . ?
C211 P3 P3' C218 55(6) . . . . ?
C118 P3 P3' C212 -172(2) . . . . ?
C112 P3 P3' C212 -5.8(10) . . . . ?
C111 P3 P3' C212 101.7(11) . . . . ?
C211 P3 P3' C212 91.2(13) . . . . ?
C212 P3 P3' C111 -101.7(11) . . . . ?
C118 P3 P3' C111 86(2) . . . . ?
C112 P3 P3' C111 -107.5(9) . . . . ?
C211 P3 P3' C111 -10.5(16) . . . . ?
C212 P3 P3' C211 -91.2(13) . . . . ?
C118 P3 P3' C211 97(2) . . . . ?
C112 P3 P3' C211 -97.0(12) . . . . ?
C111 P3 P3' C211 10.5(16) . . . . ?
C212 P3 P3' C112 5.8(10) . . . . ?
C118 P3 P3' C112 -166(2) . . . . ?
C111 P3 P3' C112 107.5(9) . . . . ?
C211 P3 P3' C112 97.0(12) . . . . ?
C210 C111 P3' P3 -14(3) . . . . ?
C110 C111 P3' P3 68(2) . . . . ?
C210 C111 P3' C218 177(3) . . . . ?
C110 C111 P3' C218 -101(2) . . . . ?
P3 C111 P3' C218 -168.7(11) . . . . ?
C210 C111 P3' C212 -80(3) . . . . ?
C110 C111 P3' C212 2(2) . . . . ?
P3 C111 P3' C212 -66.0(10) . . . . ?
C210 C111 P3' C211 -126(9) . . . . ?
C110 C111 P3' C211 -44(7) . . . . ?
P3 C111 P3' C211 -112(8) . . . . ?
C210 C111 P3' C112 -67(3) . . . . ?
C110 C111 P3' C112 15(2) . . . . ?
P3 C111 P3' C112 -52.9(7) . . . . ?
C108 C109 C208 O2 0(100) . . . . ?
C110 C109 C208 O2 174.1(9) . . . . ?
C108 C109 C208 C209 0(12) . . . . ?
C110 C109 C208 C209 -0.3(15) . . . . ?
C108 O2 C208 C109 0(100) . . . . ?
Lu1 O2 C208 C109 -31.8(9) . . . . ?
Lu2 O2 C208 C109 136.0(7) . . . . ?
C108 O2 C208 C209 0(5) . . . . ?
Lu1 O2 C208 C209 138.7(18) . . . . ?
Lu2 O2 C208 C209 -53(2) . . . . ?
C109 C208 C209 C108 0(100) . . . . ?
O2 C208 C209 C108 0(86) . . . . ?
C109 C208 C209 C210 0(2) . . . . ?
O2 C208 C209 C210 -171.5(16) . . . . ?
C109 C108 C209 C208 0(100) . . . . ?
O2 C108 C209 C208 0(86) . . . . ?
C109 C108 C209 C210 0(2) . . . . ?
O2 C108 C209 C210 -171.5(16) . . . . ?
C110 C111 C210 C209 85(2) . . . . ?
P3 C111 C210 C209 -161(2) . . . . ?
P3' C111 C210 C209 -155.2(19) . . . . ?
C110 C111 C210 C211 -11(7) . . . . ?
P3 C111 C210 C211 103(8) . . . . ?
P3' C111 C210 C211 109(8) . . . . ?
P3 C111 C210 C110 114.0(13) . . . . ?
P3' C111 C210 C110 120(2) . . . . ?
C208 C209 C210 C111 -66(4) . . . . ?
C108 C209 C210 C111 -66(4) . . . . ?
C208 C209 C210 C211 -53(4) . . . . ?
C108 C209 C210 C211 -53(4) . . . . ?
C208 C209 C210 C110 0(3) . . . . ?
C108 C209 C210 C110 0(3) . . . . ?
C211 C110 C210 C111 -3(2) . . . . ?
C109 C110 C210 C111 112.5(16) . . . . ?
C211 C110 C210 C209 -115(2) . . . . ?
C111 C110 C210 C209 -112(2) . . . . ?
C109 C110 C210 C209 0(2) . . . . ?
C111 C110 C210 C211 3(2) . . . . ?
C109 C110 C210 C211 115.3(19) . . . . ?
C111 C110 C211 C210 -10(7) . . . . ?
C109 C110 C211 C210 -95(2) . . . . ?
C210 C110 C211 P3' -89(3) . . . . ?
C111 C110 C211 P3' -99(8) . . . . ?
C109 C110 C211 P3' 176(2) . . . . ?
C210 C110 C211 P3 -69(2) . . . . ?
C111 C110 C211 P3 -79(7) . . . . ?
C109 C110 C211 P3 -164.4(13) . . . . ?
C111 C210 C211 C110 168(8) . . . . ?
C209 C210 C211 C110 78(2) . . . . ?
C111 C210 C211 P3' -56(7) . . . . ?
C209 C210 C211 P3' -146(2) . . . . ?
C110 C210 C211 P3' 136(2) . . . . ?
C111 C210 C211 P3 -68(7) . . . . ?
C209 C210 C211 P3 -158(2) . . . . ?
C110 C210 C211 P3 124.3(19) . . . . ?
P3 P3' C211 C110 43(3) . . . . ?
C218 P3' C211 C110 -127(3) . . . . ?
C212 P3' C211 C110 -25(3) . . . . ?
C111 P3' C211 C110 110(9) . . . . ?
C112 P3' C211 C110 -12(3) . . . . ?
P3 P3' C211 C210 -28(2) . . . . ?
C218 P3' C211 C210 162(2) . . . . ?
C212 P3' C211 C210 -97(2) . . . . ?
C111 P3' C211 C210 38(6) . . . . ?
C112 P3' C211 C210 -84(2) . . . . ?
C218 P3' C211 P3 -169.9(11) . . . . ?
C212 P3' C211 P3 -68.3(10) . . . . ?
C111 P3' C211 P3 66(8) . . . . ?
C112 P3' C211 P3 -55.5(8) . . . . ?
C217 C112 C212 C113 91(2) . . . . ?
C117 C112 C212 C113 100(5) . . . . ?
C213 C112 C212 C113 -32.1(10) . . . . ?
P3 C112 C212 C113 -153.7(18) . . . . ?
P3' C112 C212 C113 -143(3) . . . . ?
C117 C112 C212 C217 9(4) . . . . ?
C113 C112 C212 C217 -91(2) . . . . ?
C213 C112 C212 C217 -123(2) . . . . ?
P3 C112 C212 C217 116(2) . . . . ?
P3' C112 C212 C217 126(3) . . . . ?
C217 C112 C212 C213 123(2) . . . . ?
C117 C112 C212 C213 132(5) . . . . ?
C113 C112 C212 C213 32.1(10) . . . . ?
P3 C112 C212 C213 -121.7(16) . . . . ?
P3' C112 C212 C213 -111(3) . . . . ?
C217 C112 C212 P3 -116(2) . . . . ?
C117 C112 C212 P3 -106(5) . . . . ?
C113 C112 C212 P3 153.7(18) . . . . ?
C213 C112 C212 P3 121.7(16) . . . . ?
P3' C112 C212 P3 10.4(17) . . . . ?
C217 C112 C212 P3' -126(3) . . . . ?
C117 C112 C212 P3' -117(4) . . . . ?
C113 C112 C212 P3' 143(3) . . . . ?
C213 C112 C212 P3' 111(3) . . . . ?
P3 C112 C212 P3' -10.4(17) . . . . ?
C217 C112 C212 C117 -9(4) . . . . ?
C113 C112 C212 C117 -100(5) . . . . ?
C213 C112 C212 C117 -132(5) . . . . ?
P3 C112 C212 C117 106(5) . . . . ?
P3' C112 C212 C117 117(4) . . . . ?
C213 C113 C212 C112 90(3) . . . . ?
C214 C113 C212 C112 23(4) . . . . ?
C114 C113 C212 C112 -49(4) . . . . ?
C217 C113 C212 C112 -57(3) . . . . ?
C215 C113 C212 C112 -31(3) . . . . ?
C213 C113 C212 C217 148(2) . . . . ?
C214 C113 C212 C217 80(3) . . . . ?
C114 C113 C212 C217 8(3) . . . . ?
C112 C113 C212 C217 57(3) . . . . ?
C215 C113 C212 C217 26.9(15) . . . . ?
C214 C113 C212 C213 -67(3) . . . . ?
C114 C113 C212 C213 -140(4) . . . . ?
C112 C113 C212 C213 -90(3) . . . . ?
C217 C113 C212 C213 -148(2) . . . . ?
C215 C113 C212 C213 -121(3) . . . . ?
C213 C113 C212 P3 -12(6) . . . . ?
C214 C113 C212 P3 -79(6) . . . . ?
C114 C113 C212 P3 -151(3) . . . . ?
C112 C113 C212 P3 -102(5) . . . . ?
C217 C113 C212 P3 -160(4) . . . . ?
C215 C113 C212 P3 -133(4) . . . . ?
C213 C113 C212 P3' -48(4) . . . . ?
C214 C113 C212 P3' -115(4) . . . . ?
C114 C113 C212 P3' 172.9(19) . . . . ?
C112 C113 C212 P3' -138(4) . . . . ?
C217 C113 C212 P3' 165(2) . . . . ?
C215 C113 C212 P3' -168.4(19) . . . . ?
C213 C113 C212 C117 114(2) . . . . ?
C214 C113 C212 C117 46(3) . . . . ?
C114 C113 C212 C117 -26(3) . . . . ?
C112 C113 C212 C117 24(2) . . . . ?
C217 C113 C212 C117 -33.9(10) . . . . ?
C215 C113 C212 C117 -6.9(16) . . . . ?
P3' P3 C212 C112 -162(3) . . . . ?
C118 P3 C212 C112 14(3) . . . . ?
C111 P3 C212 C112 123(3) . . . . ?
C211 P3 C212 C112 125(3) . . . . ?
P3' P3 C212 C113 -62(4) . . . . ?
C118 P3 C212 C113 114(4) . . . . ?
C112 P3 C212 C113 100(5) . . . . ?
C111 P3 C212 C113 -137(4) . . . . ?
C211 P3 C212 C113 -135(4) . . . . ?
P3' P3 C212 C217 140.5(17) . . . . ?
C118 P3 C212 C217 -43.4(17) . . . . ?
C112 P3 C212 C217 -57(3) . . . . ?
C111 P3 C212 C217 65.3(16) . . . . ?
C211 P3 C212 C217 67.3(16) . . . . ?
P3' P3 C212 C213 -69.6(17) . . . . ?
C118 P3 C212 C213 106.5(15) . . . . ?
C112 P3 C212 C213 93(3) . . . . ?
C111 P3 C212 C213 -144.8(16) . . . . ?
C211 P3 C212 C213 -142.8(17) . . . . ?
C118 P3 C212 P3' 176.1(11) . . . . ?
C112 P3 C212 P3' 162(3) . . . . ?
C111 P3 C212 P3' -75.2(11) . . . . ?
C211 P3 C212 P3' -73.2(10) . . . . ?
P3' P3 C212 C117 174.3(12) . . . . ?
C118 P3 C212 C117 -9.6(14) . . . . ?
C112 P3 C212 C117 -24(2) . . . . ?
C111 P3 C212 C117 99.1(11) . . . . ?
C211 P3 C212 C117 101.1(12) . . . . ?
P3 P3' C212 C112 22(4) . . . . ?
C218 P3' C212 C112 -166(4) . . . . ?
C111 P3' C212 C112 95(4) . . . . ?
C211 P3' C212 C112 103(4) . . . . ?
P3 P3' C212 C113 147(2) . . . . ?
C218 P3' C212 C113 -40(2) . . . . ?
C111 P3' C212 C113 -140(2) . . . . ?
C211 P3' C212 C113 -132(2) . . . . ?
C112 P3' C212 C113 125(5) . . . . ?
P3 P3' C212 C217 -54.9(19) . . . . ?
C218 P3' C212 C217 117.6(17) . . . . ?
C111 P3' C212 C217 18(2) . . . . ?
C211 P3' C212 C217 26(2) . . . . ?
C112 P3' C212 C217 -77(4) . . . . ?
P3 P3' C212 C213 122.7(14) . . . . ?
C218 P3' C212 C213 -64.7(12) . . . . ?
C111 P3' C212 C213 -164.1(13) . . . . ?
C211 P3' C212 C213 -156.1(14) . . . . ?
C112 P3' C212 C213 101(4) . . . . ?
C218 P3' C212 P3 172.6(12) . . . . ?
C111 P3' C212 P3 73.1(10) . . . . ?
C211 P3' C212 P3 81.1(11) . . . . ?
C112 P3' C212 P3 -22(4) . . . . ?
P3 P3' C212 C117 -7.5(16) . . . . ?
C218 P3' C212 C117 165.1(15) . . . . ?
C111 P3' C212 C117 65.6(18) . . . . ?
C211 P3' C212 C117 73.6(18) . . . . ?
C112 P3' C212 C117 -29(3) . . . . ?
C217 C117 C212 C112 166(6) . . . . ?
C116 C117 C212 C112 95(5) . . . . ?
C216 C117 C212 C112 115(5) . . . . ?
C217 C117 C212 C113 86(3) . . . . ?
C116 C117 C212 C113 15.1(18) . . . . ?
C112 C117 C212 C113 -80(5) . . . . ?
C216 C117 C212 C113 35.2(16) . . . . ?
C116 C117 C212 C217 -71(3) . . . . ?
C112 C117 C212 C217 -166(6) . . . . ?
C216 C117 C212 C217 -51(3) . . . . ?
C217 C117 C212 C213 116(3) . . . . ?
C116 C117 C212 C213 45.1(17) . . . . ?
C112 C117 C212 C213 -50(5) . . . . ?
C216 C117 C212 C213 65.3(16) . . . . ?
C217 C117 C212 P3 -116(3) . . . . ?
C116 C117 C212 P3 173.1(12) . . . . ?
C112 C117 C212 P3 78(5) . . . . ?
C216 C117 C212 P3 -166.8(14) . . . . ?
C217 C117 C212 P3' -112(3) . . . . ?
C116 C117 C212 P3' 176.8(15) . . . . ?
C112 C117 C212 P3' 82(5) . . . . ?
C216 C117 C212 P3' -163.1(19) . . . . ?
C214 C113 C213 C212 146.0(18) . . . . ?
C114 C113 C213 C212 153(3) . . . . ?
C112 C113 C213 C212 26.0(11) . . . . ?
C217 C113 C213 C212 28.4(19) . . . . ?
C215 C113 C213 C212 124(3) . . . . ?
C212 C113 C213 C214 -146.0(18) . . . . ?
C114 C113 C213 C214 7(2) . . . . ?
C112 C113 C213 C214 -120.0(15) . . . . ?
C217 C113 C213 C214 -118(3) . . . . ?
C215 C113 C213 C214 -21.8(16) . . . . ?
C212 C113 C213 C112 -26.0(11) . . . . ?
C214 C113 C213 C112 120.0(15) . . . . ?
C114 C113 C213 C112 127(3) . . . . ?
C217 C113 C213 C112 2(2) . . . . ?
C215 C113 C213 C112 98(2) . . . . ?
C212 C113 C213 C114 -153(3) . . . . ?
C214 C113 C213 C114 -7(2) . . . . ?
C112 C113 C213 C114 -127(3) . . . . ?
C217 C113 C213 C114 -125(4) . . . . ?
C215 C113 C213 C114 -28.9(17) . . . . ?
C112 C212 C213 C113 -89(3) . . . . ?
C217 C212 C213 C113 -37(2) . . . . ?
P3 C212 C213 C113 174(3) . . . . ?
P3' C212 C213 C113 145(3) . . . . ?
C117 C212 C213 C113 -71(2) . . . . ?
C112 C212 C213 C214 -52(2) . . . . ?
C113 C212 C213 C214 37(2) . . . . ?
C217 C212 C213 C214 0.0(6) . . . . ?
P3 C212 C213 C214 -149.7(17) . . . . ?
P3' C212 C213 C214 -178.1(15) . . . . ?
C117 C212 C213 C214 -34.0(9) . . . . ?
C113 C212 C213 C112 89(3) . . . . ?
C217 C212 C213 C112 52(2) . . . . ?
P3 C212 C213 C112 -98(3) . . . . ?
P3' C212 C213 C112 -126(3) . . . . ?
C117 C212 C213 C112 18(2) . . . . ?
C112 C212 C213 C114 -72(3) . . . . ?
C113 C212 C213 C114 16(2) . . . . ?
C217 C212 C213 C114 -20.1(12) . . . . ?
P3 C212 C213 C114 -169.8(16) . . . . ?
P3' C212 C213 C114 161.7(15) . . . . ?
C117 C212 C213 C114 -54.1(12) . . . . ?
C212 C112 C213 C113 80(3) . . . . ?
C217 C112 C213 C113 -4(3) . . . . ?
C117 C112 C213 C113 -66(3) . . . . ?
P3 C112 C213 C113 133(2) . . . . ?
P3' C112 C213 C113 119(2) . . . . ?
C217 C112 C213 C212 -84(4) . . . . ?
C117 C112 C213 C212 -146(4) . . . . ?
C113 C112 C213 C212 -80(3) . . . . ?
P3 C112 C213 C212 53(2) . . . . ?
P3' C112 C213 C212 39(2) . . . . ?
C212 C112 C213 C214 135(2) . . . . ?
C217 C112 C213 C214 51(3) . . . . ?
C117 C112 C213 C214 -11(2) . . . . ?
C113 C112 C213 C214 55(2) . . . . ?
P3 C112 C213 C214 -172.1(10) . . . . ?
P3' C112 C213 C214 174.2(11) . . . . ?
C212 C112 C213 C114 110(3) . . . . ?
C217 C112 C213 C114 26(2) . . . . ?
C117 C112 C213 C114 -37(2) . . . . ?
C113 C112 C213 C114 29.6(18) . . . . ?
P3 C112 C213 C114 162.2(9) . . . . ?
P3' C112 C213 C114 148.6(10) . . . . ?
C214 C114 C213 C113 166(4) . . . . ?
C215 C114 C213 C113 100(4) . . . . ?
C115 C114 C213 C113 83(4) . . . . ?
C216 C114 C213 C113 52(3) . . . . ?
C214 C114 C213 C212 142(3) . . . . ?
C215 C114 C213 C212 76(3) . . . . ?
C113 C114 C213 C212 -24(3) . . . . ?
C115 C114 C213 C212 58.4(19) . . . . ?
C216 C114 C213 C212 27.8(14) . . . . ?
C215 C114 C213 C214 -66(3) . . . . ?
C113 C114 C213 C214 -166(4) . . . . ?
C115 C114 C213 C214 -84(3) . . . . ?
C216 C114 C213 C214 -114(3) . . . . ?
C214 C114 C213 C112 120(3) . . . . ?
C215 C114 C213 C112 53(3) . . . . ?
C113 C114 C213 C112 -47(3) . . . . ?
C115 C114 C213 C112 36(2) . . . . ?
C216 C114 C213 C112 5.4(15) . . . . ?
C215 C114 C214 C113 121(3) . . . . ?
C115 C114 C214 C113 111.4(19) . . . . ?
C216 C114 C214 C113 72(2) . . . . ?
C213 C114 C214 C113 -5.1(17) . . . . ?
C215 C114 C214 C213 126(3) . . . . ?
C113 C114 C214 C213 5.1(17) . . . . ?
C115 C114 C214 C213 116.5(19) . . . . ?
C216 C114 C214 C213 77(3) . . . . ?
C113 C114 C214 C215 -121(3) . . . . ?
C115 C114 C214 C215 -9(3) . . . . ?
C216 C114 C214 C215 -48(2) . . . . ?
C213 C114 C214 C215 -126(3) . . . . ?
C215 C114 C214 C115 9(3) . . . . ?
C113 C114 C214 C115 -111.4(19) . . . . ?
C216 C114 C214 C115 -39(2) . . . . ?
C213 C114 C214 C115 -116.5(19) . . . . ?
C213 C113 C214 C114 171(3) . . . . ?
C212 C113 C214 C114 -121(3) . . . . ?
C112 C113 C214 C114 -110(2) . . . . ?
C217 C113 C214 C114 -66(2) . . . . ?
C215 C113 C214 C114 -38(2) . . . . ?
C212 C113 C214 C213 68(3) . . . . ?
C114 C113 C214 C213 -171(3) . . . . ?
C112 C113 C214 C213 79(3) . . . . ?
C217 C113 C214 C213 124(3) . . . . ?
C215 C113 C214 C213 151(2) . . . . ?
C213 C113 C214 C215 -151(2) . . . . ?
C212 C113 C214 C215 -83(3) . . . . ?
C114 C113 C214 C215 38(2) . . . . ?
C112 C113 C214 C215 -72.2(16) . . . . ?
C217 C113 C214 C215 -27.9(16) . . . . ?
C213 C113 C214 C115 -148(2) . . . . ?
C212 C113 C214 C115 -80(3) . . . . ?
C114 C113 C214 C115 41.4(19) . . . . ?
C112 C113 C214 C115 -68.6(19) . . . . ?
C217 C113 C214 C115 -24.3(19) . . . . ?
C215 C113 C214 C115 3.6(15) . . . . ?
C113 C213 C214 C114 -9(3) . . . . ?
C212 C213 C214 C114 -45(3) . . . . ?
C112 C213 C214 C114 -64(3) . . . . ?
C212 C213 C214 C113 -36(2) . . . . ?
C112 C213 C214 C113 -55(2) . . . . ?
C114 C213 C214 C113 9(3) . . . . ?
C113 C213 C214 C215 35(2) . . . . ?
C212 C213 C214 C215 -0.2(6) . . . . ?
C112 C213 C214 C215 -19.3(13) . . . . ?
C114 C213 C214 C215 45(3) . . . . ?
C113 C213 C214 C115 37(3) . . . . ?
C212 C213 C214 C115 1.8(16) . . . . ?
C112 C213 C214 C115 -17(2) . . . . ?
C114 C213 C214 C115 47(2) . . . . ?
C215 C115 C214 C114 -83(14) . . . . ?
C216 C115 C214 C114 79(3) . . . . ?
C116 C115 C214 C114 122(3) . . . . ?
C215 C115 C214 C113 -147(13) . . . . ?
C216 C115 C214 C113 15(3) . . . . ?
C116 C115 C214 C113 59(2) . . . . ?
C114 C115 C214 C113 -63(2) . . . . ?
C215 C115 C214 C213 -166(13) . . . . ?
C216 C115 C214 C213 -4(3) . . . . ?
C116 C115 C214 C213 40(3) . . . . ?
C114 C115 C214 C213 -82(3) . . . . ?
C216 C115 C214 C215 162(16) . . . . ?
C116 C115 C214 C215 -154(15) . . . . ?
C114 C115 C214 C215 83(14) . . . . ?
C216 C115 C215 C114 45(11) . . . . ?
C116 C115 C215 C114 95(9) . . . . ?
C214 C115 C215 C114 65(13) . . . . ?
C216 C115 C215 C214 -20(17) . . . . ?
C116 C115 C215 C214 31(18) . . . . ?
C114 C115 C215 C214 -65(13) . . . . ?
C116 C115 C215 C216 51(4) . . . . ?
C114 C115 C215 C216 -45(11) . . . . ?
C214 C115 C215 C216 20(17) . . . . ?
C216 C115 C215 C116 -51(4) . . . . ?
C114 C115 C215 C116 -95(9) . . . . ?
C214 C115 C215 C116 -31(18) . . . . ?
C216 C115 C215 C113 3(8) . . . . ?
C116 C115 C215 C113 54(8) . . . . ?
C114 C115 C215 C113 -41(6) . . . . ?
C214 C115 C215 C113 23(10) . . . . ?
C214 C114 C215 C115 -145(9) . . . . ?
C113 C114 C215 C115 -81(9) . . . . ?
C216 C114 C215 C115 -30(8) . . . . ?
C213 C114 C215 C115 -104(9) . . . . ?
C113 C114 C215 C214 64(2) . . . . ?
C115 C114 C215 C214 145(9) . . . . ?
C216 C114 C215 C214 115(3) . . . . ?
C213 C114 C215 C214 41.4(19) . . . . ?
C214 C114 C215 C216 -115(3) . . . . ?
C113 C114 C215 C216 -52(3) . . . . ?
C115 C114 C215 C216 30(8) . . . . ?
C213 C114 C215 C216 -74(2) . . . . ?
C214 C114 C215 C116 -95(3) . . . . ?
C113 C114 C215 C116 -31(4) . . . . ?
C115 C114 C215 C116 50(8) . . . . ?
C216 C114 C215 C116 20(2) . . . . ?
C213 C114 C215 C116 -54(3) . . . . ?
C214 C114 C215 C113 -64(2) . . . . ?
C115 C114 C215 C113 81(9) . . . . ?
C216 C114 C215 C113 52(3) . . . . ?
C213 C114 C215 C113 -22.4(12) . . . . ?
C114 C214 C215 C115 90(14) . . . . ?
C113 C214 C215 C115 34(13) . . . . ?
C213 C214 C215 C115 16(13) . . . . ?
C113 C214 C215 C114 -57(2) . . . . ?
C213 C214 C215 C114 -75(3) . . . . ?
C115 C214 C215 C114 -90(14) . . . . ?
C114 C214 C215 C216 75(3) . . . . ?
C113 C214 C215 C216 18.6(15) . . . . ?
C213 C214 C215 C216 0.5(12) . . . . ?
C115 C214 C215 C216 -15(13) . . . . ?
C114 C214 C215 C116 112(3) . . . . ?
C113 C214 C215 C116 55(2) . . . . ?
C213 C214 C215 C116 37.0(19) . . . . ?
C115 C214 C215 C116 22(13) . . . . ?
C114 C214 C215 C113 57(2) . . . . ?
C213 C214 C215 C113 -18.0(11) . . . . ?
C115 C214 C215 C113 -34(13) . . . . ?
C216 C116 C215 C115 79(8) . . . . ?
C117 C116 C215 C115 143(8) . . . . ?
C217 C116 C215 C115 114(8) . . . . ?
C216 C116 C215 C114 -38(4) . . . . ?
C115 C116 C215 C114 -117(9) . . . . ?
C117 C116 C215 C114 26(3) . . . . ?
C217 C116 C215 C114 -3(3) . . . . ?
C216 C116 C215 C214 -87(4) . . . . ?
C115 C116 C215 C214 -166(9) . . . . ?
C117 C116 C215 C214 -23(2) . . . . ?
C217 C116 C215 C214 -52(2) . . . . ?
C115 C116 C215 C216 -79(8) . . . . ?
C117 C116 C215 C216 64(3) . . . . ?
C217 C116 C215 C216 36(3) . . . . ?
C216 C116 C215 C113 -56(3) . . . . ?
C115 C116 C215 C113 -135(8) . . . . ?
C117 C116 C215 C113 8.1(15) . . . . ?
C217 C116 C215 C113 -20.5(12) . . . . ?
C117 C116 C216 C115 -135(2) . . . . ?
C215 C116 C216 C115 -17(2) . . . . ?
C217 C116 C216 C115 -142(4) . . . . ?
C115 C116 C216 C215 17(2) . . . . ?
C117 C116 C216 C215 -118(2) . . . . ?
C217 C116 C216 C215 -126(4) . . . . ?
C115 C116 C216 C217 142(4) . . . . ?
C117 C116 C216 C217 8(2) . . . . ?
C215 C116 C216 C217 126(4) . . . . ?
C115 C116 C216 C117 135(2) . . . . ?
C215 C116 C216 C117 118(2) . . . . ?
C217 C116 C216 C117 -8(2) . . . . ?
C115 C116 C216 C114 35.2(19) . . . . ?
C117 C116 C216 C114 -100(3) . . . . ?
C215 C116 C216 C114 18(2) . . . . ?
C217 C116 C216 C114 -107(4) . . . . ?
C215 C115 C216 C116 117(7) . . . . ?
C114 C115 C216 C116 138(3) . . . . ?
C214 C115 C216 C116 110(3) . . . . ?
C116 C115 C216 C215 -117(7) . . . . ?
C114 C115 C216 C215 22(6) . . . . ?
C214 C115 C216 C215 -6(5) . . . . ?
C215 C115 C216 C217 11(10) . . . . ?
C116 C115 C216 C217 -105(5) . . . . ?
C114 C115 C216 C217 33(5) . . . . ?
C214 C115 C216 C217 5(5) . . . . ?
C215 C115 C216 C117 67(8) . . . . ?
C116 C115 C216 C117 -49(2) . . . . ?
C114 C115 C216 C117 89(3) . . . . ?
C214 C115 C216 C117 61(4) . . . . ?
C215 C115 C216 C114 -22(6) . . . . ?
C116 C115 C216 C114 -138(3) . . . . ?
C214 C115 C216 C114 -28.0(12) . . . . ?
C115 C215 C216 C116 -62(7) . . . . ?
C114 C215 C216 C116 149(3) . . . . ?
C214 C215 C216 C116 109(3) . . . . ?
C113 C215 C216 C116 121(3) . . . . ?
C114 C215 C216 C115 -149(8) . . . . ?
C214 C215 C216 C115 171(8) . . . . ?
C116 C215 C216 C115 62(7) . . . . ?
C113 C215 C216 C115 -177(7) . . . . ?
C115 C215 C216 C217 -172(7) . . . . ?
C114 C215 C216 C217 40(2) . . . . ?
C214 C215 C216 C217 -0.7(17) . . . . ?
C116 C215 C216 C217 -110(3) . . . . ?
C113 C215 C216 C217 11.3(13) . . . . ?
C115 C215 C216 C117 -122(8) . . . . ?
C114 C215 C216 C117 89(3) . . . . ?
C214 C215 C216 C117 49(2) . . . . ?
C116 C215 C216 C117 -60.1(18) . . . . ?
C113 C215 C216 C117 61(2) . . . . ?
C115 C215 C216 C114 149(8) . . . . ?
C214 C215 C216 C114 -40.3(18) . . . . ?
C116 C215 C216 C114 -149(3) . . . . ?
C113 C215 C216 C114 -28.3(17) . . . . ?
C217 C117 C216 C116 169(3) . . . . ?
C112 C117 C216 C116 -143(2) . . . . ?
C212 C117 C216 C116 -152(2) . . . . ?
C217 C117 C216 C115 -133(4) . . . . ?
C116 C117 C216 C115 58(3) . . . . ?
C112 C117 C216 C115 -85(4) . . . . ?
C212 C117 C216 C115 -95(3) . . . . ?
C217 C117 C216 C215 -114(3) . . . . ?
C116 C117 C216 C215 77(2) . . . . ?
C112 C117 C216 C215 -66(2) . . . . ?
C212 C117 C216 C215 -76(2) . . . . ?
C116 C117 C216 C217 -169(3) . . . . ?
C112 C117 C216 C217 47(2) . . . . ?
C212 C117 C216 C217 38.1(17) . . . . ?
C217 C117 C216 C114 -78(3) . . . . ?
C116 C117 C216 C114 112(3) . . . . ?
C112 C117 C216 C114 -31(2) . . . . ?
C212 C117 C216 C114 -40.1(19) . . . . ?
C214 C114 C216 C116 40(4) . . . . ?
C215 C114 C216 C116 -36(4) . . . . ?
C113 C114 C216 C116 101(4) . . . . ?
C115 C114 C216 C116 -48(3) . . . . ?
C213 C114 C216 C116 85(4) . . . . ?
C214 C114 C216 C115 89(3) . . . . ?
C215 C114 C216 C115 13(3) . . . . ?
C113 C114 C216 C115 149(3) . . . . ?
C213 C114 C216 C115 134(3) . . . . ?
C214 C114 C216 C215 76(3) . . . . ?
C113 C114 C216 C215 137(3) . . . . ?
C115 C114 C216 C215 -13(4) . . . . ?
C213 C114 C216 C215 121(2) . . . . ?
C214 C114 C216 C217 -72(3) . . . . ?
C215 C114 C216 C217 -148(2) . . . . ?
C113 C114 C216 C217 -11.3(15) . . . . ?
C115 C114 C216 C217 -161(3) . . . . ?
C213 C114 C216 C217 -26.8(15) . . . . ?
C214 C114 C216 C117 -29(3) . . . . ?
C215 C114 C216 C117 -105(3) . . . . ?
C113 C114 C216 C117 31(2) . . . . ?
C115 C114 C216 C117 -118(3) . . . . ?
C213 C114 C216 C117 16(2) . . . . ?
C116 C117 C217 C112 124.1(15) . . . . ?
C216 C117 C217 C112 118(2) . . . . ?
C212 C117 C217 C112 -3.0(14) . . . . ?
C116 C117 C217 C212 127.1(19) . . . . ?
C112 C117 C217 C212 3.0(14) . . . . ?
C216 C117 C217 C212 121(3) . . . . ?
C116 C117 C217 C216 7(2) . . . . ?
C112 C117 C217 C216 -118(2) . . . . ?
C212 C117 C217 C216 -121(3) . . . . ?
C116 C117 C217 C113 83.7(15) . . . . ?
C112 C117 C217 C113 -40.5(10) . . . . ?
C216 C117 C217 C113 77(2) . . . . ?
C212 C117 C217 C113 -43.5(14) . . . . ?
C112 C117 C217 C116 -124.1(15) . . . . ?
C216 C117 C217 C116 -7(2) . . . . ?
C212 C117 C217 C116 -127.1(19) . . . . ?
C212 C112 C217 C117 173(3) . . . . ?
C113 C112 C217 C117 -120.4(19) . . . . ?
C213 C112 C217 C117 -118.5(19) . . . . ?
P3 C112 C217 C117 109(2) . . . . ?
P3' C112 C217 C117 134.7(17) . . . . ?
C117 C112 C217 C212 -173(3) . . . . ?
C113 C112 C217 C212 66(3) . . . . ?
C213 C112 C217 C212 68(3) . . . . ?
P3 C112 C217 C212 -64(2) . . . . ?
P3' C112 C217 C212 -38(2) . . . . ?
C212 C112 C217 C216 -122(3) . . . . ?
C117 C112 C217 C216 64.6(19) . . . . ?
C113 C112 C217 C216 -55.8(18) . . . . ?
C213 C112 C217 C216 -54(2) . . . . ?
P3 C112 C217 C216 173.5(13) . . . . ?
P3' C112 C217 C216 -160.7(13) . . . . ?
C212 C112 C217 C113 -66(3) . . . . ?
C117 C112 C217 C113 120.4(19) . . . . ?
C213 C112 C217 C113 1.9(16) . . . . ?
P3 C112 C217 C113 -130.6(16) . . . . ?
P3' C112 C217 C113 -104.9(15) . . . . ?
C212 C112 C217 C116 -150(3) . . . . ?
C117 C112 C217 C116 36.4(13) . . . . ?
C113 C112 C217 C116 -84.0(15) . . . . ?
C213 C112 C217 C116 -82.1(19) . . . . ?
P3 C112 C217 C116 145.4(13) . . . . ?
P3' C112 C217 C116 171.1(11) . . . . ?
C112 C212 C217 C117 -7(3) . . . . ?
C113 C212 C217 C117 -95(3) . . . . ?
C213 C212 C217 C117 -76(3) . . . . ?
P3 C212 C217 C117 75(3) . . . . ?
P3' C212 C217 C117 101(3) . . . . ?
C113 C212 C217 C112 -88(3) . . . . ?
C213 C212 C217 C112 -69(3) . . . . ?
P3 C212 C217 C112 82(3) . . . . ?
P3' C212 C217 C112 108(4) . . . . ?
C117 C212 C217 C112 7(3) . . . . ?
C112 C212 C217 C216 69(3) . . . . ?
C113 C212 C217 C216 -18.6(15) . . . . ?
C213 C212 C217 C216 -0.2(13) . . . . ?
P3 C212 C217 C216 151.4(18) . . . . ?
P3' C212 C217 C216 177(2) . . . . ?
C117 C212 C217 C216 76(3) . . . . ?
C112 C212 C217 C113 88(3) . . . . ?
C213 C212 C217 C113 18.4(10) . . . . ?
P3 C212 C217 C113 170(2) . . . . ?
P3' C212 C217 C113 -164(3) . . . . ?
C117 C212 C217 C113 95(3) . . . . ?
C112 C212 C217 C116 35(3) . . . . ?
C113 C212 C217 C116 -53(2) . . . . ?
C213 C212 C217 C116 -34.2(19) . . . . ?
P3 C212 C217 C116 117(2) . . . . ?
P3' C212 C217 C116 143(2) . . . . ?
C117 C212 C217 C116 42.0(16) . . . . ?
C116 C216 C217 C117 -10(3) . . . . ?
C115 C216 C217 C117 88(4) . . . . ?
C215 C216 C217 C117 92(2) . . . . ?
C114 C216 C217 C117 112.5(18) . . . . ?
C116 C216 C217 C112 -76(4) . . . . ?
C115 C216 C217 C112 22(5) . . . . ?
C215 C216 C217 C112 26(2) . . . . ?
C117 C216 C217 C112 -65.9(18) . . . . ?
C114 C216 C217 C112 46.6(19) . . . . ?
C116 C216 C217 C212 -101(3) . . . . ?
C115 C216 C217 C212 -4(4) . . . . ?
C215 C216 C217 C212 0.6(18) . . . . ?
C117 C216 C217 C212 -91.5(19) . . . . ?
C114 C216 C217 C212 21.0(15) . . . . ?
C116 C216 C217 C113 -114(3) . . . . ?
C115 C216 C217 C113 -16(4) . . . . ?
C215 C216 C217 C113 -12.1(14) . . . . ?
C117 C216 C217 C113 -104.1(18) . . . . ?
C114 C216 C217 C113 8.3(11) . . . . ?
C115 C216 C217 C116 97(5) . . . . ?
C215 C216 C217 C116 102(3) . . . . ?
C117 C216 C217 C116 10(3) . . . . ?
C114 C216 C217 C116 122(3) . . . . ?
C213 C113 C217 C117 54(4) . . . . ?
C212 C113 C217 C117 94(2) . . . . ?
C214 C113 C217 C117 -45(3) . . . . ?
C114 C113 C217 C117 -81(2) . . . . ?
C112 C113 C217 C117 57.8(18) . . . . ?
C215 C113 C217 C117 -63(2) . . . . ?
C213 C113 C217 C112 -4(3) . . . . ?
C212 C113 C217 C112 35.9(17) . . . . ?
C214 C113 C217 C112 -102(2) . . . . ?
C114 C113 C217 C112 -139.3(19) . . . . ?
C215 C113 C217 C112 -121.3(18) . . . . ?
C213 C113 C217 C212 -40(3) . . . . ?
C214 C113 C217 C212 -138(2) . . . . ?
C114 C113 C217 C212 -175.2(18) . . . . ?
C112 C113 C217 C212 -35.9(17) . . . . ?
C215 C113 C217 C212 -157.1(14) . . . . ?
C213 C113 C217 C216 124(3) . . . . ?
C212 C113 C217 C216 164.1(14) . . . . ?
C214 C113 C217 C216 25.9(16) . . . . ?
C114 C113 C217 C216 -11.1(14) . . . . ?
C112 C113 C217 C216 128(2) . . . . ?
C215 C113 C217 C216 7.0(9) . . . . ?
C213 C113 C217 C116 98(3) . . . . ?
C212 C113 C217 C116 138.1(14) . . . . ?
C214 C113 C217 C116 -0.1(18) . . . . ?
C114 C113 C217 C116 -37.0(13) . . . . ?
C112 C113 C217 C116 102.3(18) . . . . ?
C215 C113 C217 C116 -19.0(12) . . . . ?
C216 C116 C217 C117 167(4) . . . . ?
C115 C116 C217 C117 137(2) . . . . ?
C215 C116 C217 C117 125(2) . . . . ?
C216 C116 C217 C112 112(4) . . . . ?
C115 C116 C217 C112 83(2) . . . . ?
C117 C116 C217 C112 -54.5(16) . . . . ?
C215 C116 C217 C112 70(2) . . . . ?
C216 C116 C217 C212 97(4) . . . . ?
C115 C116 C217 C212 68(2) . . . . ?
C117 C116 C217 C212 -69.3(19) . . . . ?
C215 C116 C217 C212 55(2) . . . . ?
C115 C116 C217 C216 -30(3) . . . . ?
C117 C116 C217 C216 -167(4) . . . . ?
C215 C116 C217 C216 -42(3) . . . . ?
C216 C116 C217 C113 65(3) . . . . ?
C115 C116 C217 C113 35.1(15) . . . . ?
C117 C116 C217 C113 -101.9(19) . . . . ?
C215 C116 C217 C113 22.6(14) . . . . ?
P3 P3' C218 C223 -5(7) . . . . ?
C212 P3' C218 C223 -39.4(18) . . . . ?
C111 P3' C218 C223 58.0(18) . . . . ?
C211 P3' C218 C223 48.7(19) . . . . ?
C112 P3' C218 C223 -43.0(18) . . . . ?
P3 P3' C218 C219 180(100) . . . . ?
C212 P3' C218 C219 145.6(15) . . . . ?
C111 P3' C218 C219 -116.9(15) . . . . ?
C211 P3' C218 C219 -126.3(17) . . . . ?
C112 P3' C218 C219 142.1(13) . . . . ?
C223 C218 C219 C220 3(3) . . . . ?
P3' C218 C219 C220 178.6(16) . . . . ?
C218 C219 C220 C221 -10(3) . . . . ?
C219 C220 C221 C222 17(4) . . . . ?
C220 C221 C222 C223 -17(4) . . . . ?
C219 C218 C223 C222 -3(3) . . . . ?
P3' C218 C223 C222 -177.7(16) . . . . ?
C221 C222 C223 C218 9(3) . . . . ?
