#------------------------------------------------------------------------------
#$Date: 2018-10-31 01:27:16 +0200 (Wed, 31 Oct 2018) $
#$Revision: 211710 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/01/1550161.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_1550161
loop_
_publ_author_name
'Lu, Xing'
'Shen, Wangqiang'
'Bao, Lipiao'
'Hu, Shuaifeng'
'Yang, Le'
'Jin, Peng'
'Xie, Yun-Peng'
'Akasaka, Takeshi'
_publ_section_title
;
 Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster
 Selection by Cage Size
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/C8SC03886D
_journal_year                    2019
_chemical_formula_moiety         '2(Lu3 N C88), 3(C36 H44 N4 Ni), 2(C6 H6)'
_chemical_formula_sum            'C296 H144 Lu6 N14 Ni3'
_chemical_formula_weight         5122.19
_chemical_name_common            'Lu3N@D2-C88 Ni(OEP)'
_chemical_name_systematic        'Lu3N@D2-C88 Ni(OEP)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-07-19 deposited with the CCDC.
2018-10-29 downloaded from the CCDC.
;
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 103.220(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            2
_cell_length_a                   24.634(5)
_cell_length_b                   17.744(5)
_cell_length_c                   23.328(5)
_cell_measurement_reflns_used    9767
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.362
_cell_measurement_theta_min      2.265
_cell_volume                     9927(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD MX300-HE'
_diffrn_measurement_method       'phi scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6525
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_unetI/netI     0.0247
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            41924
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        23.048
_diffrn_reflns_theta_max         23.226
_diffrn_reflns_theta_min         2.602
_diffrn_source                   'SSRF, Beamline BL17B'
_exptl_absorpt_coefficient_mu    2.679
_exptl_absorpt_correction_T_max  0.7449
_exptl_absorpt_correction_T_min  0.5094
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_description       Block
_exptl_crystal_F_000             5056
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.879
_refine_diff_density_min         -6.281
_refine_diff_density_rms         0.207
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     908
_refine_ls_number_reflns         9471
_refine_ls_number_restraints     859
_refine_ls_restrained_S_all      1.135
_refine_ls_R_factor_all          0.1766
_refine_ls_R_factor_gt           0.1516
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0455P)²+462.2852P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3278
_refine_ls_wR_factor_ref         0.3417
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7593
_reflns_number_total             9471
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8sc03886d2.cif
_cod_data_source_block           Lu3N@D2-C88
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               1550161
_shelx_shelxl_version_number     2014/7
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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 0.7488(3) 0.5472(4) 0.3329(3) 0.1041(17) Uani 0.1611 1 d . U P A 1
N1 N 0.7875(4) 0.5000 0.2666(5) 0.0344(9) Uani 1 2 d S T P A 1
Lu2 Lu 0.74962(15) 0.3777(2) 0.2456(2) 0.0973(12) Uani 0.2322 1 d . U P A 1
Lu3 Lu 0.7110(3) 0.5000 0.2927(3) 0.122(2) Uani 0.2124 2 d S TU P A 1
Lu4 Lu 0.7696(3) 0.5000 0.3518(3) 0.150(2) Uani 0.2933 2 d S TU P A 1
Lu5 Lu 0.7776(3) 0.4013(3) 0.2025(3) 0.182(2) Uani 0.2621 1 d . U P A 1
Lu6 Lu 0.8093(5) 0.3821(5) 0.3062(5) 0.144(3) Uani 0.1421 1 d . U P A 1
Lu7 Lu 0.7225(4) 0.4291(7) 0.2835(5) 0.141(3) Uani 0.1218 1 d . U P A 1
Lu8 Lu 0.7900(5) 0.5695(8) 0.3452(5) 0.121(3) Uani 0.1009 1 d . U P A 1
Lu9 Lu 0.8407(6) 0.3960(8) 0.2777(7) 0.170(5) Uani 0.1155 1 d . U P A 1
Lu10 Lu 0.8134(8) 0.4556(10) 0.1856(8) 0.226(5) Uani 0.1113 1 d . U P A 1
C1 C 0.6631(2) 0.3624(4) 0.1714(3) 0.102(8) Uani 0.5 1 d G U P A -1
C2 C 0.63833(19) 0.3912(4) 0.2192(3) 0.098(7) Uani 0.5 1 d G U P A -1
C3 C 0.6559(2) 0.3409(4) 0.2699(3) 0.100(7) Uani 0.5 1 d G U P A -1
C4 C 0.6948(3) 0.2842(4) 0.2541(3) 0.117(8) Uani 0.5 1 d G U P A -1
C5 C 0.7028(3) 0.3013(3) 0.1943(3) 0.114(8) Uani 0.5 1 d G U P A -1
C6 C 0.7548(3) 0.2869(3) 0.1695(3) 0.116(8) Uani 0.5 1 d G U P A -1
C7 C 0.7685(3) 0.3349(4) 0.1214(2) 0.110(7) Uani 0.5 1 d G U P A -1
C8 C 0.7208(3) 0.3951(4) 0.10919(19) 0.097(7) Uani 0.5 1 d G U P A -1
C9 C 0.6772(2) 0.4220(4) 0.1332(2) 0.096(7) Uani 0.5 1 d G U P A -1
C10 C 0.66222(19) 0.5038(4) 0.1398(2) 0.072(5) Uani 0.5 1 d G U P A -1
C11 C 0.63933(14) 0.5213(4) 0.1823(3) 0.079(6) Uani 0.5 1 d G U P A -1
C12 C 0.62584(14) 0.4660(4) 0.2323(3) 0.086(6) Uani 0.5 1 d G U P A -1
C13 C 0.62329(16) 0.4885(5) 0.2869(3) 0.089(6) Uani 0.5 1 d G U P A -1
C14 C 0.6443(2) 0.4402(5) 0.3355(3) 0.097(7) Uani 0.5 1 d G U P A -1
C15 C 0.6604(2) 0.3757(5) 0.3318(3) 0.089(6) Uani 0.5 1 d G U P A -1
C16 C 0.7095(3) 0.3394(5) 0.3750(3) 0.088(6) Uani 0.5 1 d G U P A -1
C17 C 0.7458(3) 0.2795(4) 0.3589(3) 0.115(7) Uani 0.5 1 d G U P A -1
C18 C 0.7525(3) 0.2655(3) 0.2964(3) 0.111(7) Uani 0.5 1 d G U P A -1
C19 C 0.7999(4) 0.2428(3) 0.2695(4) 0.110(7) Uani 0.5 1 d G U P A -1
C20 C 0.8100(4) 0.2648(3) 0.2093(3) 0.116(8) Uani 0.5 1 d G U P A -1
C21 C 0.8564(3) 0.2979(4) 0.1848(3) 0.106(7) Uani 0.5 1 d G U P A -1
C22 C 0.8312(3) 0.3415(4) 0.1314(3) 0.102(7) Uani 0.5 1 d G U P A -1
C23 C 0.8633(3) 0.4039(4) 0.1221(3) 0.103(7) Uani 0.5 1 d G U P A -1
C24 C 0.8223(3) 0.4448(4) 0.09074(19) 0.101(7) Uani 0.5 1 d G U P A -1
C25 C 0.7580(3) 0.4417(4) 0.08352(15) 0.091(7) Uani 0.5 1 d G U P A -1
C26 C 0.7371(3) 0.5249(4) 0.08264(14) 0.075(6) Uani 0.5 1 d G U P A -1
C27 C 0.6929(2) 0.5414(4) 0.10764(18) 0.072(6) Uani 0.5 1 d G U P A -1
C28 C 0.6955(2) 0.6254(4) 0.1279(2) 0.065(5) Uani 0.5 1 d G U P A -1
C29 C 0.6707(2) 0.6441(4) 0.1770(3) 0.081(7) Uani 0.5 1 d G U P A -1
C30 C 0.64341(17) 0.5973(4) 0.2086(3) 0.096(7) Uani 0.5 1 d G U P A -1
C31 C 0.6410(2) 0.6152(4) 0.2670(3) 0.099(7) Uani 0.5 1 d G U P A -1
C32 C 0.6320(2) 0.5634(5) 0.3077(3) 0.103(7) Uani 0.5 1 d G U P A -1
C33 C 0.6605(3) 0.5607(5) 0.3670(3) 0.108(7) Uani 0.5 1 d G U P A -1
C34 C 0.6699(3) 0.4844(5) 0.3848(3) 0.105(7) Uani 0.5 1 d G U P A -1
C35 C 0.7075(3) 0.4614(5) 0.4158(2) 0.104(7) Uani 0.5 1 d G U P A -1
C36 C 0.7455(3) 0.3842(5) 0.4225(2) 0.096(6) Uani 0.5 1 d G U P A -1
C37 C 0.8046(3) 0.3622(5) 0.4261(2) 0.095(4) Uani 0.5 1 d G U P A -1
C38 C 0.8041(3) 0.3037(4) 0.3793(3) 0.095(4) Uani 0.5 1 d G U P A -1
C39 C 0.8572(3) 0.2962(4) 0.3604(3) 0.095(4) Uani 0.5 1 d G U P A -1
C40 C 0.8672(3) 0.2724(4) 0.3026(3) 0.095(4) Uani 0.5 1 d G U P A -1
C41 C 0.9136(3) 0.3173(4) 0.2901(3) 0.085(6) Uani 0.5 1 d G U P A -1
C42 C 0.9071(3) 0.3237(4) 0.2201(3) 0.099(7) Uani 0.5 1 d G U P A -1
C43 C 0.9323(2) 0.3936(5) 0.2148(3) 0.101(7) Uani 0.5 1 d G U P A -1
C44 C 0.9115(3) 0.4320(5) 0.1595(3) 0.094(6) Uani 0.5 1 d G U P A -1
C45 C 0.9221(2) 0.5120(5) 0.1691(3) 0.104(6) Uani 0.5 1 d G U P A -1
C46 C 0.8840(3) 0.5519(4) 0.1321(3) 0.094(6) Uani 0.5 1 d G U P A -1
C47 C 0.8417(3) 0.5280(4) 0.0960(2) 0.086(6) Uani 0.5 1 d G U P A -1
C48 C 0.7879(3) 0.5779(4) 0.08500(19) 0.074(6) Uani 0.5 1 d G U P A -1
C49 C 0.7935(3) 0.6502(4) 0.1108(3) 0.080(6) Uani 0.5 1 d G U P A -1
C50 C 0.7418(3) 0.6762(4) 0.1284(3) 0.063(5) Uani 0.5 1 d G U P A -1
C51 C 0.7428(3) 0.7264(3) 0.1785(3) 0.090(7) Uani 0.5 1 d G U P A -1
C52 C 0.6971(3) 0.7098(3) 0.2057(3) 0.094(7) Uani 0.5 1 d G U P A -1
C53 C 0.7027(3) 0.7184(4) 0.2656(3) 0.126(8) Uani 0.5 1 d G U P A -1
C54 C 0.6711(3) 0.6767(4) 0.2939(3) 0.120(8) Uani 0.5 1 d G U P A -1
C55 C 0.6967(3) 0.6740(4) 0.3519(3) 0.122(7) Uani 0.5 1 d G U P A -1
C56 C 0.7009(3) 0.6134(5) 0.3880(3) 0.115(7) Uani 0.5 1 d G U P A -1
C57 C 0.7428(3) 0.5665(5) 0.4331(2) 0.105(7) Uani 0.5 1 d G U P A -1
C58 C 0.7653(3) 0.4936(6) 0.44884(17) 0.121(6) Uani 0.5 1 d G U P A -1
C59 C 0.8227(3) 0.4951(6) 0.44776(14) 0.130(7) Uani 0.5 1 d G U P A -1
C60 C 0.8412(3) 0.4178(5) 0.43763(17) 0.122(7) Uani 0.5 1 d G U P A -1
C61 C 0.8839(2) 0.4294(5) 0.40563(19) 0.141(8) Uani 0.5 1 d G U P A -1
C62 C 0.8948(2) 0.3612(5) 0.3792(3) 0.109(7) Uani 0.5 1 d G U P A -1
C63 C 0.9294(2) 0.3741(5) 0.3360(3) 0.097(7) Uani 0.5 1 d G U P A -1
C64 C 0.95172(15) 0.4458(5) 0.3212(3) 0.120(7) Uani 0.5 1 d G U P A -1
C65 C 0.95338(16) 0.4499(5) 0.2596(3) 0.109(7) Uani 0.5 1 d G U P A -1
C66 C 0.95124(17) 0.5225(5) 0.2296(3) 0.110(7) Uani 0.5 1 d G U P A -1
C67 C 0.95098(16) 0.5882(5) 0.2686(3) 0.117(7) Uani 0.5 1 d G U P A -1
C68 C 0.9213(2) 0.6415(4) 0.2256(3) 0.112(7) Uani 0.5 1 d G U P A -1
C69 C 0.8933(3) 0.6290(4) 0.1640(3) 0.098(6) Uani 0.5 1 d G U P A -1
C70 C 0.8456(3) 0.6795(4) 0.1491(3) 0.098(7) Uani 0.5 1 d G U P A -1
C71 C 0.8447(3) 0.7254(3) 0.2011(3) 0.107(7) Uani 0.5 1 d G U P A -1
C72 C 0.7935(3) 0.7488(3) 0.2191(4) 0.114(7) Uani 0.5 1 d G U P A -1
C73 C 0.7912(3) 0.7473(3) 0.2815(4) 0.127(8) Uani 0.5 1 d G U P A -1
C74 C 0.7447(3) 0.7460(4) 0.3084(4) 0.129(8) Uani 0.5 1 d G U P A -1
C75 C 0.7486(3) 0.6967(4) 0.3550(3) 0.132(7) Uani 0.5 1 d G U P A -1
C76 C 0.7953(4) 0.6886(5) 0.4024(3) 0.131(6) Uani 0.5 1 d G U P A -1
C77 C 0.7863(3) 0.6129(5) 0.4224(2) 0.131(6) Uani 0.5 1 d G U P A -1
C78 C 0.8357(3) 0.5688(5) 0.43140(17) 0.140(6) Uani 0.5 1 d DG U P A -1
C79 C 0.8845(3) 0.5643(5) 0.4188(2) 0.142(6) Uani 0.5 1 d G U P A -1
C80 C 0.9100(2) 0.5030(5) 0.3988(2) 0.134(6) Uani 0.5 1 d G U P A -1
C81 C 0.93613(15) 0.5117(5) 0.3524(3) 0.136(7) Uani 0.5 1 d G U P A -1
C82 C 0.93674(17) 0.5818(5) 0.3259(3) 0.142(8) Uani 0.5 1 d G U P A -1
C83 C 0.9112(2) 0.6432(5) 0.3459(3) 0.148(9) Uani 0.5 1 d G U P A -1
C84 C 0.8919(3) 0.7060(4) 0.3088(3) 0.136(8) Uani 0.5 1 d G U P A -1
C85 C 0.8917(3) 0.7019(4) 0.2477(4) 0.127(8) Uani 0.5 1 d G U P A -1
C86 C 0.8425(3) 0.7299(4) 0.3262(3) 0.128(8) Uani 0.5 1 d G U P A -1
C87 C 0.8455(3) 0.6947(5) 0.3815(3) 0.131(8) Uani 0.5 1 d G U P A -1
C88 C 0.8851(3) 0.6344(5) 0.3924(3) 0.131(8) Uani 0.5 1 d DG U P A -1
Ni1A Ni 0.54414(5) 0.5000 0.07083(6) 0.0187(3) Uani 1 2 d S T P B 2
C1A C 0.7126(4) 0.3797(6) -0.0688(5) 0.043(2) Uani 1 1 d . . . B 2
H1AA H 0.7266 0.3447 -0.0933 0.064 Uiso 1 1 calc R U . B 2
H1AB H 0.7091 0.3549 -0.0332 0.064 Uiso 1 1 calc R U . B 2
H1AC H 0.7381 0.4213 -0.0592 0.064 Uiso 1 1 calc R U . B 2
N2A N 0.5455(3) 0.3898(4) 0.0718(3) 0.0344(9) Uani 1 1 d . . . B 2
C2A C 0.6554(3) 0.4090(5) -0.1017(4) 0.0285(18) Uani 1 1 d . . . B 2
H2AA H 0.6594 0.4349 -0.1371 0.034 Uiso 1 1 calc R U . B 2
H2AB H 0.6306 0.3665 -0.1136 0.034 Uiso 1 1 calc R U . B 2
Ni2A Ni 1.0000 0.5000 0.5000 0.0313(5) Uani 1 4 d S T P C 2
N3A N 0.5065(4) 0.5000 0.1367(5) 0.0344(9) Uani 1 2 d S T P B 2
C3A C 0.6296(3) 0.4618(4) -0.0650(3) 0.0223(16) Uani 1 1 d . . . B 2
C4A C 0.6007(3) 0.4390(4) -0.0210(3) 0.0199(15) Uani 1 1 d . . . B 2
N4A N 1.0352(3) 0.4217(4) 0.4619(3) 0.0344(9) Uani 1 1 d . . . C 2
C5A C 0.5922(3) 0.3649(5) -0.0074(4) 0.0240(16) Uani 1 1 d . . . B 2
H5A H 0.6044 0.3277 -0.0296 0.029 Uiso 1 1 calc R U . B 2
C6A C 0.5674(3) 0.3423(4) 0.0362(4) 0.0222(16) Uani 1 1 d . . . B 2
C7A C 0.5609(3) 0.2638(4) 0.0513(4) 0.0281(18) Uani 1 1 d . . . B 2
C8A C 0.5807(4) 0.1984(5) 0.0206(5) 0.035(2) Uani 1 1 d . . . B 2
H8AA H 0.5733 0.2086 -0.0213 0.042 Uiso 1 1 calc R U . B 2
H8AB H 0.5601 0.1536 0.0263 0.042 Uiso 1 1 calc R U . B 2
C9A C 0.6435(4) 0.1838(6) 0.0439(5) 0.054(3) Uani 1 1 d . . . B 2
H9AA H 0.6549 0.1428 0.0225 0.081 Uiso 1 1 calc R U . B 2
H9AB H 0.6507 0.1712 0.0850 0.081 Uiso 1 1 calc R U . B 2
H9AC H 0.6640 0.2283 0.0388 0.081 Uiso 1 1 calc R U . B 2
C10A C 0.5353(3) 0.2644(5) 0.0963(4) 0.0308(19) Uani 1 1 d . . . B 2
C11A C 0.5191(4) 0.1985(5) 0.1297(5) 0.039(2) Uani 1 1 d . . . B 2
H11A H 0.5164 0.1536 0.1054 0.047 Uiso 1 1 calc R U . B 2
H11B H 0.4826 0.2079 0.1373 0.047 Uiso 1 1 calc R U . B 2
C12A C 0.5607(5) 0.1841(7) 0.1883(5) 0.061(3) Uani 1 1 d . . . B 2
H12A H 0.5970 0.1747 0.1811 0.092 Uiso 1 1 calc R U . B 2
H12B H 0.5490 0.1410 0.2072 0.092 Uiso 1 1 calc R U . B 2
H12C H 0.5623 0.2274 0.2132 0.092 Uiso 1 1 calc R U . B 2
C13A C 0.5253(3) 0.3422(4) 0.1088(3) 0.0221(16) Uani 1 1 d . . . B 2
C14A C 0.4990(3) 0.3650(5) 0.1516(4) 0.0274(18) Uani 1 1 d . . . B 2
H14A H 0.4864 0.3278 0.1734 0.033 Uiso 1 1 calc R U . B 2
C15A C 0.4899(3) 0.4386(5) 0.1645(3) 0.0238(16) Uani 1 1 d . . . B 2
C16A C 0.4632(3) 0.4624(5) 0.2106(4) 0.0304(18) Uani 1 1 d . . . B 2
C17A C 0.4425(4) 0.4089(6) 0.2511(4) 0.038(2) Uani 1 1 d . . . B 2
H17A H 0.4225 0.3680 0.2278 0.045 Uiso 1 1 calc R U . B 2
H17B H 0.4162 0.4354 0.2691 0.045 Uiso 1 1 calc R U . B 2
C18A C 0.4883(5) 0.3756(7) 0.2994(4) 0.054(3) Uani 1 1 d . . . B 2
H18A H 0.5148 0.3498 0.2820 0.082 Uiso 1 1 calc R U . B 2
H18B H 0.4722 0.3407 0.3223 0.082 Uiso 1 1 calc R U . B 2
H18C H 0.5067 0.4153 0.3244 0.082 Uiso 1 1 calc R U . B 2
C19A C 1.0000 0.3080(7) 0.5000 0.039(3) Uani 1 2 d S T P C 2
H19A H 1.0000 0.2555 0.5000 0.047 Uiso 1 2 calc R U P C 2
C20A C 1.0314(4) 0.3442(5) 0.4669(4) 0.037(2) Uani 1 1 d . . . C 2
C21A C 1.0647(4) 0.3060(5) 0.4327(4) 0.041(2) Uani 1 1 d . . . C 2
C22A C 1.0728(5) 0.2223(6) 0.4306(5) 0.053(3) Uani 1 1 d . . . C 2
H22A H 1.0817 0.2091 0.3934 0.063 Uiso 1 1 calc R U . C 2
H22B H 1.0382 0.1972 0.4323 0.063 Uiso 1 1 calc R U . C 2
C23A C 1.1189(6) 0.1940(7) 0.4807(6) 0.073(4) Uani 1 1 d . . . C 2
H23A H 1.1245 0.1411 0.4757 0.109 Uiso 1 1 calc R U . C 2
H23B H 1.1085 0.2023 0.5174 0.109 Uiso 1 1 calc R U . C 2
H23C H 1.1527 0.2207 0.4806 0.109 Uiso 1 1 calc R U . C 2
C24A C 1.0886(5) 0.3599(6) 0.4058(5) 0.048(3) Uani 1 1 d . . . C 2
C25A C 1.1297(6) 0.3520(7) 0.3672(5) 0.064(3) Uani 1 1 d . . . C 2
H25A H 1.1277 0.3010 0.3519 0.077 Uiso 1 1 calc R U . C 2
H25B H 1.1191 0.3861 0.3341 0.077 Uiso 1 1 calc R U . C 2
C26A C 1.1879(6) 0.3682(8) 0.3983(7) 0.076(4) Uani 1 1 d . . . C 2
H26A H 1.2118 0.3637 0.3713 0.114 Uiso 1 1 calc R U . C 2
H26B H 1.1994 0.3329 0.4300 0.114 Uiso 1 1 calc R U . C 2
H26C H 1.1902 0.4185 0.4139 0.114 Uiso 1 1 calc R U . C 2
C27A C 1.0701(4) 0.4312(5) 0.4239(4) 0.042(2) Uani 1 1 d . . . C 2
C28A C 1.0860(7) 0.5000 0.4056(6) 0.044(3) Uani 1 2 d S T P C 2
H28A H 1.1089 0.5000 0.3790 0.053 Uiso 1 2 calc R U P C 2
N1A N 0.5833(4) 0.5000 0.0057(5) 0.0344(9) Uani 1 2 d S T P B 2
C1D C 0.732(3) 0.0000 0.182(3) 0.31(5) Uani 1 2 d S T P D 3
H1D H 0.7409 0.0000 0.1451 0.376 Uiso 1 2 calc R U P D 3
C4D C 0.6745(17) 0.0000 0.2555(19) 0.163(18) Uani 1 2 d S T P D 3
H4D H 0.6492 0.0000 0.2796 0.195 Uiso 1 2 calc R U P D 3
C2D C 0.7261(14) 0.0606(12) 0.2046(14) 0.193(16) Uani 1 1 d . . . D 3
H2D H 0.7456 0.1031 0.1975 0.232 Uiso 1 1 calc R U . D 3
C3D C 0.6922(9) 0.0633(10) 0.2387(8) 0.110(7) Uani 1 1 d . . . D 3
H3D H 0.6806 0.1092 0.2511 0.132 Uiso 1 1 calc R U . D 3
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0027 0.0014 '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'
N N 0.0053 0.0028 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3436 0.9622 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.2922 5.1425 '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
Lu4 Lu1 Lu8 80.6(10) . .
Lu4 Lu1 Lu7 140.1(10) . 6_565
Lu8 Lu1 Lu7 112.4(12) . 6_565
Lu4 Lu1 Lu3 89.4(8) . .
Lu8 Lu1 Lu3 146.1(8) . .
Lu7 Lu1 Lu3 58.3(7) 6_565 .
Lu4 Lu1 Lu1 35.4(7) . 6_565
Lu8 Lu1 Lu1 111.8(9) . 6_565
Lu7 Lu1 Lu1 109.5(7) 6_565 6_565
Lu3 Lu1 Lu1 54.2(3) . 6_565
Lu4 Lu1 Lu6 106.8(7) . 6_565
Lu8 Lu1 Lu6 34.8(8) . 6_565
Lu7 Lu1 Lu6 77.6(7) 6_565 6_565
Lu3 Lu1 Lu6 122.9(5) . 6_565
Lu1 Lu1 Lu6 125.7(3) 6_565 6_565
Lu4 Lu1 N1 74.5(5) . .
Lu8 Lu1 N1 77.7(7) . .
Lu7 Lu1 N1 72.1(6) 6_565 .
Lu3 Lu1 N1 68.4(4) . .
Lu1 Lu1 N1 67.2(2) 6_565 .
Lu6 Lu1 N1 64.5(3) 6_565 .
Lu4 Lu1 C56 116.9(7) . .
Lu8 Lu1 C56 104.1(8) . .
Lu7 Lu1 C56 97.0(6) 6_565 .
Lu3 Lu1 C56 109.3(5) . .
Lu1 Lu1 C56 121.3(3) 6_565 .
Lu6 Lu1 C56 110.4(5) 6_565 .
N1 Lu1 C56 168.5(5) . .
Lu4 Lu1 Lu8 17.8(5) . 6_565
Lu8 Lu1 Lu8 86.2(11) . 6_565
Lu7 Lu1 Lu8 122.4(7) 6_565 6_565
Lu3 Lu1 Lu8 75.9(4) . 6_565
Lu1 Lu1 Lu8 25.5(3) 6_565 6_565
Lu6 Lu1 Lu8 104.3(4) 6_565 6_565
N1 Lu1 Lu8 59.0(3) . 6_565
C56 Lu1 Lu8 132.1(5) . 6_565
Lu4 Lu1 C77 88.1(7) . .
Lu8 Lu1 C77 55.1(7) . .
Lu7 Lu1 C77 130.8(8) 6_565 .
Lu3 Lu1 C77 157.4(5) . .
Lu1 Lu1 C77 119.3(3) 6_565 .
Lu6 Lu1 C77 79.2(4) 6_565 .
N1 Lu1 C77 132.0(5) . .
C56 Lu1 C77 52.93(16) . .
Lu8 Lu1 C77 105.1(5) 6_565 .
Lu4 Lu1 C57 80.4(6) . .
Lu8 Lu1 C57 87.3(8) . .
Lu7 Lu1 C57 135.4(6) 6_565 .
Lu3 Lu1 C57 123.0(5) . .
Lu1 Lu1 C57 98.2(3) 6_565 .
Lu6 Lu1 C57 113.6(5) 6_565 .
N1 Lu1 C57 152.5(5) . .
C56 Lu1 C57 38.43(10) . .
Lu8 Lu1 C57 97.5(5) 6_565 .
C77 Lu1 C57 34.52(11) . .
Lu4 Lu1 Lu7 63.2(7) . .
Lu8 Lu1 Lu7 125.9(9) . .
Lu7 Lu1 Lu7 80.0(9) 6_565 .
Lu3 Lu1 Lu7 27.6(4) . .
Lu1 Lu1 Lu7 29.5(3) 6_565 .
Lu6 Lu1 Lu7 119.9(4) 6_565 .
N1 Lu1 Lu7 55.6(3) . .
C56 Lu1 Lu7 127.3(5) . .
Lu8 Lu1 Lu7 48.5(4) 6_565 .
C77 Lu1 Lu7 148.5(5) . .
C57 Lu1 Lu7 121.4(5) . .
Lu3 N1 Lu4 48.8(4) . .
Lu3 N1 Lu7 36.1(4) . 6_565
Lu4 N1 Lu7 60.4(5) . 6_565
Lu3 N1 Lu7 36.1(4) . .
Lu4 N1 Lu7 60.4(5) . .
Lu7 N1 Lu7 72.0(8) 6_565 .
Lu3 N1 Lu1 39.1(3) . 6_565
Lu4 N1 Lu1 27.7(2) . 6_565
Lu7 N1 Lu1 68.1(5) 6_565 6_565
Lu7 N1 Lu1 34.0(4) . 6_565
Lu3 N1 Lu1 39.1(3) . .
Lu4 N1 Lu1 27.7(2) . .
Lu7 N1 Lu1 34.0(4) 6_565 .
Lu7 N1 Lu1 68.1(5) . .
Lu1 N1 Lu1 45.6(5) 6_565 .
Lu3 N1 Lu8 67.4(5) . 6_565
Lu4 N1 Lu8 36.4(4) . 6_565
Lu7 N1 Lu8 93.3(6) 6_565 6_565
Lu7 N1 Lu8 52.9(5) . 6_565
Lu1 N1 Lu8 28.3(3) 6_565 6_565
Lu1 N1 Lu8 63.5(5) . 6_565
Lu3 N1 Lu8 67.4(5) . .
Lu4 N1 Lu8 36.4(4) . .
Lu7 N1 Lu8 52.9(5) 6_565 .
Lu7 N1 Lu8 93.3(6) . .
Lu1 N1 Lu8 63.5(5) 6_565 .
Lu1 N1 Lu8 28.3(3) . .
Lu8 N1 Lu8 68.3(8) 6_565 .
Lu3 N1 Lu9 120.3(5) . 6_565
Lu4 N1 Lu9 97.7(6) . 6_565
Lu7 N1 Lu9 86.5(6) 6_565 6_565
Lu7 N1 Lu9 154.7(8) . 6_565
Lu1 N1 Lu9 125.3(7) 6_565 6_565
Lu1 N1 Lu9 86.6(6) . 6_565
Lu8 N1 Lu9 117.5(7) 6_565 6_565
Lu8 N1 Lu9 62.5(6) . 6_565
Lu3 N1 Lu9 120.3(5) . .
Lu4 N1 Lu9 97.7(6) . .
Lu7 N1 Lu9 154.7(8) 6_565 .
Lu7 N1 Lu9 86.4(6) . .
Lu1 N1 Lu9 86.6(6) 6_565 .
Lu1 N1 Lu9 125.3(7) . .
Lu8 N1 Lu9 62.5(6) 6_565 .
Lu8 N1 Lu9 117.5(7) . .
Lu9 N1 Lu9 110.6(9) 6_565 .
Lu3 N1 Lu10 132.9(7) . 6_565
Lu4 N1 Lu10 159.0(5) . 6_565
Lu7 N1 Lu10 108.3(6) 6_565 6_565
Lu7 N1 Lu10 136.1(7) . 6_565
Lu1 N1 Lu10 169.7(7) 6_565 6_565
Lu1 N1 Lu10 135.6(5) . 6_565
Lu8 N1 Lu10 158.3(7) 6_565 6_565
Lu8 N1 Lu10 122.7(6) . 6_565
Lu9 N1 Lu10 62.7(7) 6_565 6_565
Lu9 N1 Lu10 96.4(8) . 6_565
Lu3 N1 Lu10 132.9(7) . .
Lu4 N1 Lu10 159.0(5) . .
Lu7 N1 Lu10 136.1(7) 6_565 .
Lu7 N1 Lu10 108.3(6) . .
Lu1 N1 Lu10 135.6(5) 6_565 .
Lu1 N1 Lu10 169.7(7) . .
Lu8 N1 Lu10 122.7(6) 6_565 .
Lu8 N1 Lu10 158.3(7) . .
Lu9 N1 Lu10 96.4(8) 6_565 .
Lu9 N1 Lu10 62.7(7) . .
Lu10 N1 Lu10 40.6(10) 6_565 .
Lu5 Lu2 Lu7 125.9(5) . .
Lu5 Lu2 Lu6 95.9(5) . .
Lu7 Lu2 Lu6 84.7(6) . .
Lu5 Lu2 C5 94.8(4) . .
Lu7 Lu2 C5 119.0(5) . .
Lu6 Lu2 C5 139.6(4) . .
Lu5 Lu2 C4 135.0(4) . .
Lu7 Lu2 C4 92.3(5) . .
Lu6 Lu2 C4 112.1(4) . .
C5 Lu2 C4 41.44(11) . .
Lu5 Lu2 Lu9 64.8(5) . .
Lu7 Lu2 Lu9 105.1(5) . .
Lu6 Lu2 Lu9 31.2(5) . .
C5 Lu2 Lu9 134.7(5) . .
C4 Lu2 Lu9 133.0(5) . .
Lu5 Lu2 C18 131.4(4) . .
Lu7 Lu2 C18 100.7(5) . .
Lu6 Lu2 C18 73.2(4) . .
C5 Lu2 C18 70.57(19) . .
C4 Lu2 C18 40.82(11) . .
Lu9 Lu2 C18 92.5(5) . .
Lu5 Lu2 N1 69.0(4) . .
Lu7 Lu2 N1 62.4(4) . .
Lu6 Lu2 N1 65.4(4) . .
C5 Lu2 N1 153.4(4) . .
C4 Lu2 N1 154.5(4) . .
Lu9 Lu2 N1 58.4(4) . .
C18 Lu2 N1 136.0(4) . .
Lu5 Lu2 C6 63.7(3) . .
Lu7 Lu2 C6 157.7(4) . .
Lu6 Lu2 C6 115.8(5) . .
C5 Lu2 C6 39.38(13) . .
C4 Lu2 C6 72.41(19) . .
Lu9 Lu2 C6 97.2(5) . .
C18 Lu2 C6 78.6(2) . .
N1 Lu2 C6 132.6(4) . .
Lu5 Lu2 C1 90.9(3) . .
Lu7 Lu2 C1 92.9(4) . .
Lu6 Lu2 C1 172.9(5) . .
C5 Lu2 C1 37.31(10) . .
C4 Lu2 C1 61.29(14) . .
Lu9 Lu2 C1 155.2(5) . .
C18 Lu2 C1 100.9(2) . .
N1 Lu2 C1 119.2(3) . .
C6 Lu2 C1 65.70(16) . .
Lu5 Lu2 Lu1 122.2(3) . 6_565
Lu7 Lu2 Lu1 26.0(4) . 6_565
Lu6 Lu2 Lu1 58.7(5) . 6_565
C5 Lu2 Lu1 139.5(4) . 6_565
C4 Lu2 Lu1 102.5(3) . 6_565
Lu9 Lu2 Lu1 80.8(5) . 6_565
C18 Lu2 Lu1 92.8(3) . 6_565
N1 Lu2 Lu1 53.5(3) . 6_565
C6 Lu2 Lu1 171.1(3) . 6_565
C1 Lu2 Lu1 118.8(3) . 6_565
Lu5 Lu2 Lu8 113.5(4) . 6_565
Lu7 Lu2 Lu8 51.0(5) . 6_565
Lu6 Lu2 Lu8 33.7(5) . 6_565
C5 Lu2 Lu8 150.4(4) . 6_565
C4 Lu2 Lu8 109.0(4) . 6_565
Lu9 Lu2 Lu8 58.3(5) . 6_565
C18 Lu2 Lu8 83.5(4) . 6_565
N1 Lu2 Lu8 53.7(4) . 6_565
C6 Lu2 Lu8 149.0(4) . 6_565
C1 Lu2 Lu8 143.5(4) . 6_565
Lu1 Lu2 Lu8 25.0(3) 6_565 6_565
Lu7 Lu3 Lu7 145.2(11) 6_565 .
Lu7 Lu3 Lu1 122.3(8) 6_565 6_565
Lu7 Lu3 Lu1 54.3(5) . 6_565
Lu7 Lu3 Lu1 54.3(5) 6_565 .
Lu7 Lu3 Lu1 122.3(8) . .
Lu1 Lu3 Lu1 71.7(7) 6_565 .
Lu7 Lu3 Lu4 87.7(6) 6_565 .
Lu7 Lu3 Lu4 87.7(6) . .
Lu1 Lu3 Lu4 35.9(3) 6_565 .
Lu1 Lu3 Lu4 35.9(3) . .
Lu7 Lu3 N1 73.3(5) 6_565 .
Lu7 Lu3 N1 73.3(5) . .
Lu1 Lu3 N1 72.4(4) 6_565 .
Lu1 Lu3 N1 72.4(4) . .
Lu4 Lu3 N1 66.2(4) . .
Lu7 Lu3 C13 109.4(6) 6_565 .
Lu7 Lu3 C13 98.6(5) . .
Lu1 Lu3 C13 118.8(4) 6_565 .
Lu1 Lu3 C13 126.4(5) . .
Lu4 Lu3 C13 133.4(5) . .
N1 Lu3 C13 159.4(5) . .
Lu7 Lu3 C12 110.2(6) 6_565 .
Lu7 Lu3 C12 81.4(6) . .
Lu1 Lu3 C12 127.4(4) 6_565 .
Lu1 Lu3 C12 155.7(4) . .
Lu4 Lu3 C12 160.7(3) . .
N1 Lu3 C12 124.5(5) . .
C13 Lu3 C12 34.89(12) . .
Lu7 Lu3 C32 77.5(5) 6_565 .
Lu7 Lu3 C32 134.5(6) . .
Lu1 Lu3 C32 128.5(5) 6_565 .
Lu1 Lu3 C32 93.4(4) . .
Lu4 Lu3 C32 116.5(4) . .
N1 Lu3 C32 150.5(2) . .
C13 Lu3 C32 36.44(11) . .
C12 Lu3 C32 63.25(19) . .
Lu7 Lu3 C14 134.0(6) 6_565 .
Lu7 Lu3 C14 80.6(6) . .
Lu1 Lu3 C14 82.6(4) 6_565 .
Lu1 Lu3 C14 113.5(5) . .
Lu4 Lu3 C14 101.3(4) . .
N1 Lu3 C14 151.2(3) . .
C13 Lu3 C14 36.42(11) . .
C12 Lu3 C14 61.41(17) . .
C32 Lu3 C14 58.04(16) . .
Lu7 Lu3 Lu8 53.9(6) 6_565 .
Lu7 Lu3 Lu8 113.3(7) . .
Lu1 Lu3 Lu8 68.6(5) 6_565 .
Lu1 Lu3 Lu8 14.4(3) . .
Lu4 Lu3 Lu8 33.9(3) . .
N1 Lu3 Lu8 58.1(4) . .
C13 Lu3 Lu8 140.6(4) . .
C12 Lu3 Lu8 163.9(4) . .
C32 Lu3 Lu8 106.4(4) . .
C14 Lu3 Lu8 125.4(5) . .
Lu7 Lu3 Lu8 113.3(7) 6_565 6_565
Lu7 Lu3 Lu8 53.9(6) . 6_565
Lu1 Lu3 Lu8 14.4(3) 6_565 6_565
Lu1 Lu3 Lu8 68.6(5) . 6_565
Lu4 Lu3 Lu8 33.9(3) . 6_565
N1 Lu3 Lu8 58.1(4) . 6_565
C13 Lu3 Lu8 132.4(4) . 6_565
C12 Lu3 Lu8 133.9(4) . 6_565
C32 Lu3 Lu8 141.2(5) . 6_565
C14 Lu3 Lu8 96.7(4) . 6_565
Lu8 Lu3 Lu8 62.1(7) . 6_565
Lu1 Lu4 Lu1 109.2(14) 6_565 .
Lu1 Lu4 Lu8 50.9(6) 6_565 6_565
Lu1 Lu4 Lu8 148.8(10) . 6_565
Lu1 Lu4 Lu8 148.8(10) 6_565 .
Lu1 Lu4 Lu8 50.9(6) . .
Lu8 Lu4 Lu8 131.2(12) 6_565 .
Lu1 Lu4 Lu3 54.7(7) 6_565 .
Lu1 Lu4 Lu3 54.7(7) . .
Lu8 Lu4 Lu3 99.8(7) 6_565 .
Lu8 Lu4 Lu3 99.8(7) . .
Lu1 Lu4 N1 77.8(5) 6_565 .
Lu1 Lu4 N1 77.8(5) . .
Lu8 Lu4 N1 74.4(5) 6_565 .
Lu8 Lu4 N1 74.4(5) . .
Lu3 Lu4 N1 64.9(4) . .
Lu1 Lu4 Lu7 22.0(6) 6_565 .
Lu1 Lu4 Lu7 91.5(8) . .
Lu8 Lu4 Lu7 62.2(7) 6_565 .
Lu8 Lu4 Lu7 126.8(7) . .
Lu3 Lu4 Lu7 37.8(3) . .
N1 Lu4 Lu7 60.0(4) . .
Lu1 Lu4 Lu7 91.5(8) 6_565 6_565
Lu1 Lu4 Lu7 22.0(6) . 6_565
Lu8 Lu4 Lu7 126.8(7) 6_565 6_565
Lu8 Lu4 Lu7 62.2(7) . 6_565
Lu3 Lu4 Lu7 37.8(3) . 6_565
N1 Lu4 Lu7 60.0(4) . 6_565
Lu7 Lu4 Lu7 71.6(7) . 6_565
Lu1 Lu4 C58 104.6(6) 6_565 .
Lu1 Lu4 C58 109.4(6) . .
Lu8 Lu4 C58 99.8(6) 6_565 .
Lu8 Lu4 C58 105.1(6) . .
Lu3 Lu4 C58 124.0(5) . .
N1 Lu4 C58 170.6(5) . .
Lu7 Lu4 C58 124.3(5) . .
Lu7 Lu4 C58 128.4(5) 6_565 .
Lu1 Lu4 C59 120.0(6) 6_565 .
Lu1 Lu4 C59 124.1(7) . .
Lu8 Lu4 C59 86.3(7) 6_565 .
Lu8 Lu4 C59 90.2(7) . .
Lu3 Lu4 C59 159.9(5) . .
N1 Lu4 C59 135.1(5) . .
Lu7 Lu4 C59 141.5(4) . .
Lu7 Lu4 C59 145.7(4) 6_565 .
C58 Lu4 C59 35.85(12) . .
Lu1 Lu4 C57 122.0(7) 6_565 .
Lu1 Lu4 C57 75.2(5) . .
Lu8 Lu4 C57 134.5(6) 6_565 .
Lu8 Lu4 C57 79.8(5) . .
Lu3 Lu4 C57 106.8(4) . .
N1 Lu4 C57 150.7(2) . .
Lu7 Lu4 C57 131.4(5) . .
Lu7 Lu4 C57 95.6(4) 6_565 .
C58 Lu4 C57 34.66(10) . .
C59 Lu4 C57 57.53(17) . .
Lu1 Lu4 C35 73.5(6) 6_565 .
Lu1 Lu4 C35 99.7(7) . .
Lu8 Lu4 C35 96.6(6) 6_565 .
Lu8 Lu4 C35 128.3(6) . .
Lu3 Lu4 C35 87.8(4) . .
N1 Lu4 C35 148.6(5) . .
Lu7 Lu4 C35 89.0(4) . .
Lu7 Lu4 C35 107.9(5) 6_565 .
C58 Lu4 C35 38.15(12) . .
C59 Lu4 C35 72.3(2) . .
C57 Lu4 C35 49.51(14) . .
Lu2 Lu5 Lu10 146.8(8) . .
Lu2 Lu5 Lu9 77.0(6) . .
Lu10 Lu5 Lu9 82.6(9) . .
Lu2 Lu5 C7 119.1(5) . .
Lu10 Lu5 C7 94.2(9) . .
Lu9 Lu5 C7 128.0(5) . .
Lu2 Lu5 C6 81.2(4) . .
Lu10 Lu5 C6 130.8(9) . .
Lu9 Lu5 C6 109.8(5) . .
C7 Lu5 C6 40.12(11) . .
Lu2 Lu5 N1 75.8(4) . .
Lu10 Lu5 N1 71.4(8) . .
Lu9 Lu5 N1 62.0(5) . .
C7 Lu5 N1 162.2(5) . .
C6 Lu5 N1 156.8(6) . .
Lu2 Lu5 C8 111.7(4) . .
Lu10 Lu5 C8 93.0(9) . .
Lu9 Lu5 C8 167.8(6) . .
C7 Lu5 C8 40.64(12) . .
C6 Lu5 C8 64.80(16) . .
N1 Lu5 C8 127.4(4) . .
Lu2 Lu5 Lu6 48.2(4) . .
Lu10 Lu5 Lu6 107.3(8) . .
Lu9 Lu5 Lu6 28.9(5) . .
C7 Lu5 Lu6 137.8(4) . .
C6 Lu5 Lu6 102.8(4) . .
N1 Lu5 Lu6 58.9(3) . .
C8 Lu5 Lu6 159.4(5) . .
Lu2 Lu5 C5 51.6(3) . .
Lu10 Lu5 C5 160.2(9) . .
Lu9 Lu5 C5 115.2(6) . .
C7 Lu5 C5 68.30(19) . .
C6 Lu5 C5 37.20(14) . .
N1 Lu5 C5 123.6(5) . .
C8 Lu5 C5 67.77(18) . .
Lu6 Lu5 C5 92.3(4) . .
Lu2 Lu5 C20 82.5(4) . .
Lu10 Lu5 C20 117.2(9) . .
Lu9 Lu5 C20 74.9(5) . .
C7 Lu5 C20 60.77(17) . .
C6 Lu5 C20 36.27(12) . .
N1 Lu5 C20 134.8(4) . .
C8 Lu5 C20 97.3(2) . .
Lu6 Lu5 C20 77.0(4) . .
C5 Lu5 C20 63.2(2) . .
Lu2 Lu5 C22 138.2(4) . .
Lu10 Lu5 C22 70.0(8) . .
Lu9 Lu5 C22 97.5(5) . .
C7 Lu5 C22 35.89(13) . .
C6 Lu5 C22 61.38(18) . .
N1 Lu5 C22 138.3(5) . .
C8 Lu5 C22 70.3(2) . .
Lu6 Lu5 C22 119.7(4) . .
C5 Lu5 C22 97.7(2) . .
C20 Lu5 C22 56.47(16) . .
Lu2 Lu5 Lu7 28.2(3) . .
Lu10 Lu5 Lu7 122.1(8) . .
Lu9 Lu5 Lu7 79.0(6) . .
C7 Lu5 Lu7 139.2(4) . .
C6 Lu5 Lu7 107.1(5) . .
N1 Lu5 Lu7 51.4(4) . .
C8 Lu5 Lu7 112.8(4) . .
Lu6 Lu5 Lu7 53.0(4) . .
C5 Lu5 Lu7 72.4(4) . .
C20 Lu5 Lu7 110.0(5) . .
C22 Lu5 Lu7 166.3(5) . .
Lu9 Lu6 Lu8 127.6(13) . 6_565
Lu9 Lu6 Lu2 95.3(11) . .
Lu8 Lu6 Lu2 101.4(8) 6_565 .
Lu9 Lu6 Lu1 130.0(10) . 6_565
Lu8 Lu6 Lu1 25.6(6) 6_565 6_565
Lu2 Lu6 Lu1 75.8(5) . 6_565
Lu9 Lu6 C39 98.0(10) . .
Lu8 Lu6 C39 105.8(8) 6_565 .
Lu2 Lu6 C39 132.2(6) . .
Lu1 Lu6 C39 124.5(6) 6_565 .
Lu9 Lu6 C38 137.5(11) . .
Lu8 Lu6 C38 78.4(8) 6_565 .
Lu2 Lu6 C38 113.3(6) . .
Lu1 Lu6 C38 88.7(6) 6_565 .
C39 Lu6 C38 39.41(17) . .
Lu9 Lu6 Lu7 120.8(10) . .
Lu8 Lu6 Lu7 58.8(7) 6_565 .
Lu2 Lu6 Lu7 42.6(4) . .
Lu1 Lu6 Lu7 33.2(4) 6_565 .
C39 Lu6 Lu7 140.0(7) . .
C38 Lu6 Lu7 101.2(6) . .
Lu9 Lu6 N1 72.6(9) . .
Lu8 Lu6 N1 67.9(6) 6_565 .
Lu2 Lu6 N1 69.5(4) . .
Lu1 Lu6 N1 58.1(4) 6_565 .
C39 Lu6 N1 157.9(6) . .
C38 Lu6 N1 145.7(7) . .
Lu7 Lu6 N1 56.3(4) . .
Lu9 Lu6 Lu5 59.7(9) . .
Lu8 Lu6 Lu5 119.1(7) 6_565 .
Lu2 Lu6 Lu5 35.9(3) . .
Lu1 Lu6 Lu5 97.1(4) 6_565 .
C39 Lu6 Lu5 134.7(6) . .
C38 Lu6 Lu5 143.2(5) . .
Lu7 Lu6 Lu5 68.6(4) . .
N1 Lu6 Lu5 58.1(3) . .
Lu9 Lu6 C62 81.2(10) . .
Lu8 Lu6 C62 90.4(7) 6_565 .
Lu2 Lu6 C62 167.1(7) . .
Lu1 Lu6 C62 115.9(6) 6_565 .
C39 Lu6 C62 37.30(15) . .
C38 Lu6 C62 63.8(2) . .
Lu7 Lu6 C62 148.7(7) . .
N1 Lu6 C62 120.6(5) . .
Lu5 Lu6 C62 140.0(7) . .
Lu9 Lu6 C40 71.0(10) . .
Lu8 Lu6 C40 143.0(8) 6_565 .
Lu2 Lu6 C40 108.7(6) . .
Lu1 Lu6 C40 158.7(6) 6_565 .
C39 Lu6 C40 37.30(18) . .
C38 Lu6 C40 70.3(3) . .
Lu7 Lu6 C40 145.7(6) . .
N1 Lu6 C40 143.3(7) . .
Lu5 Lu6 C40 97.9(5) . .
C62 Lu6 C40 58.4(2) . .
Lu9 Lu6 C18 124.3(13) . .
Lu8 Lu6 C18 107.5(9) 6_565 .
Lu2 Lu6 C18 63.0(3) . .
Lu1 Lu6 C18 95.7(5) 6_565 .
C39 Lu6 C18 71.6(3) . .
C38 Lu6 C18 54.5(2) . .
Lu7 Lu6 C18 78.5(5) . .
N1 Lu6 C18 130.3(5) . .
Lu5 Lu6 C18 88.8(4) . .
C62 Lu6 C18 108.6(4) . .
C40 Lu6 C18 69.6(3) . .
Lu1 Lu7 Lu3 67.4(8) 6_565 .
Lu1 Lu7 Lu2 121.9(9) 6_565 .
Lu3 Lu7 Lu2 143.6(10) . .
Lu1 Lu7 Lu8 30.6(6) 6_565 6_565
Lu3 Lu7 Lu8 92.7(8) . 6_565
Lu2 Lu7 Lu8 91.3(7) . 6_565
Lu1 Lu7 N1 73.9(5) 6_565 .
Lu3 Lu7 N1 70.6(5) . .
Lu2 Lu7 N1 78.5(5) . .
Lu8 Lu7 N1 65.0(5) 6_565 .
Lu1 Lu7 Lu4 17.8(4) 6_565 .
Lu3 Lu7 Lu4 54.5(5) . .
Lu2 Lu7 Lu4 123.0(6) . .
Lu8 Lu7 Lu4 38.3(5) 6_565 .
N1 Lu7 Lu4 59.5(4) . .
Lu1 Lu7 C3 124.8(8) 6_565 .
Lu3 Lu7 C3 120.9(7) . .
Lu2 Lu7 C3 84.5(5) . .
Lu8 Lu7 C3 126.3(7) 6_565 .
N1 Lu7 C3 160.0(7) . .
Lu4 Lu7 C3 140.2(6) . .
Lu1 Lu7 Lu6 69.2(6) 6_565 .
Lu3 Lu7 Lu6 123.0(7) . .
Lu2 Lu7 Lu6 52.7(5) . .
Lu8 Lu7 Lu6 38.6(5) 6_565 .
N1 Lu7 Lu6 63.2(4) . .
Lu4 Lu7 Lu6 73.7(4) . .
C3 Lu7 Lu6 113.7(6) . .
Lu1 Lu7 C15 87.1(7) 6_565 .
Lu3 Lu7 C15 96.9(7) . .
Lu2 Lu7 C15 117.8(6) . .
Lu8 Lu7 C15 101.3(6) 6_565 .
N1 Lu7 C15 160.0(7) . .
Lu4 Lu7 C15 100.6(6) . .
C3 Lu7 C15 39.95(18) . .
Lu6 Lu7 C15 115.9(6) . .
Lu1 Lu7 C2 150.4(9) 6_565 .
Lu3 Lu7 C2 100.7(7) . .
Lu2 Lu7 C2 84.3(5) . .
Lu8 Lu7 C2 163.0(7) 6_565 .
N1 Lu7 C2 129.4(6) . .
Lu4 Lu7 C2 152.1(7) . .
C3 Lu7 C2 37.07(15) . .
Lu6 Lu7 C2 134.1(7) . .
C15 Lu7 C2 66.9(3) . .
Lu1 Lu7 Lu1 41.0(6) 6_565 .
Lu3 Lu7 Lu1 30.2(5) . .
Lu2 Lu7 Lu1 133.8(5) . .
Lu8 Lu7 Lu1 62.7(5) 6_565 .
N1 Lu7 Lu1 56.4(4) . .
Lu4 Lu7 Lu1 25.2(2) . .
C3 Lu7 Lu1 141.7(6) . .
Lu6 Lu7 Lu1 94.2(4) . .
C15 Lu7 Lu1 105.0(6) . .
C2 Lu7 Lu1 130.7(6) . .
Lu1 Lu7 C12 125.9(9) 6_565 .
Lu3 Lu7 C12 67.1(6) . .
Lu2 Lu7 C12 112.1(6) . .
Lu8 Lu7 C12 156.4(8) 6_565 .
N1 Lu7 C12 115.4(6) . .
Lu4 Lu7 C12 119.7(6) . .
C3 Lu7 C12 61.8(2) . .
Lu6 Lu7 C12 164.7(7) . .
C15 Lu7 C12 71.0(3) . .
C2 Lu7 C12 33.66(14) . .
Lu1 Lu7 C12 97.1(5) . .
Lu1 Lu8 Lu4 48.5(7) . .
Lu1 Lu8 Lu6 119.6(13) . 6_565
Lu4 Lu8 Lu6 144.8(10) . 6_565
Lu1 Lu8 Lu7 37.0(7) . 6_565
Lu4 Lu8 Lu7 79.6(8) . 6_565
Lu6 Lu8 Lu7 82.6(8) 6_565 6_565
Lu1 Lu8 C77 98.6(8) . .
Lu4 Lu8 C77 98.9(7) . .
Lu6 Lu8 C77 116.3(9) 6_565 .
Lu7 Lu8 C77 117.5(7) 6_565 .
Lu1 Lu8 C78 122.1(10) . .
Lu4 Lu8 C78 91.0(8) . .
Lu6 Lu8 C78 116.2(9) 6_565 .
Lu7 Lu8 C78 155.2(8) 6_565 .
C77 Lu8 C78 41.0(2) . .
Lu1 Lu8 N1 74.0(7) . .
Lu4 Lu8 N1 69.1(6) . .
Lu6 Lu8 N1 75.7(6) 6_565 .
Lu7 Lu8 N1 62.1(5) 6_565 .
C77 Lu8 N1 168.0(8) . .
C78 Lu8 N1 135.5(7) . .
Lu1 Lu8 Lu1 42.7(8) . 6_565
Lu4 Lu8 Lu1 13.4(4) . 6_565
Lu6 Lu8 Lu1 132.3(8) 6_565 6_565
Lu7 Lu8 Lu1 68.8(5) 6_565 6_565
C77 Lu8 Lu1 110.7(6) . 6_565
C78 Lu8 Lu1 104.1(7) . 6_565
N1 Lu8 Lu1 57.5(4) . 6_565
Lu1 Lu8 Lu9 123.1(10) . 6_565
Lu4 Lu8 Lu9 126.4(8) . 6_565
Lu6 Lu8 Lu9 23.4(6) 6_565 6_565
Lu7 Lu8 Lu9 89.8(7) 6_565 6_565
C77 Lu8 Lu9 131.5(8) . 6_565
C78 Lu8 Lu9 114.0(7) . 6_565
N1 Lu8 Lu9 59.7(5) . 6_565
Lu1 Lu8 Lu9 116.6(6) 6_565 6_565
Lu1 Lu8 Lu3 19.5(5) . .
Lu4 Lu8 Lu3 46.3(6) . .
Lu6 Lu8 Lu3 109.8(8) 6_565 .
Lu7 Lu8 Lu3 33.4(4) 6_565 .
C77 Lu8 Lu3 117.7(6) . .
C78 Lu8 Lu3 133.8(7) . .
N1 Lu8 Lu3 54.5(4) . .
Lu1 Lu8 Lu3 35.5(3) 6_565 .
Lu9 Lu8 Lu3 107.0(6) 6_565 .
Lu1 Lu8 Lu8 68.2(9) . 6_565
Lu4 Lu8 Lu8 24.4(6) . 6_565
Lu6 Lu8 Lu8 127.5(6) 6_565 6_565
Lu7 Lu8 Lu8 90.7(5) 6_565 6_565
C77 Lu8 Lu8 112.9(5) . 6_565
C78 Lu8 Lu8 89.7(5) . 6_565
N1 Lu8 Lu8 55.9(4) . 6_565
Lu1 Lu8 Lu8 25.5(3) 6_565 6_565
Lu9 Lu8 Lu8 105.4(5) 6_565 6_565
Lu3 Lu8 Lu8 58.9(3) . 6_565
Lu1 Lu8 C76 112.9(9) . .
Lu4 Lu8 C76 133.4(7) . .
Lu6 Lu8 C76 81.1(8) 6_565 .
Lu7 Lu8 C76 108.6(7) 6_565 .
C77 Lu8 C76 35.8(2) . .
C78 Lu8 C76 62.2(3) . .
N1 Lu8 C76 155.8(7) . .
Lu1 Lu8 C76 143.2(6) 6_565 .
Lu9 Lu8 C76 99.9(7) 6_565 .
Lu3 Lu8 C76 130.5(6) . .
Lu8 Lu8 C76 148.2(4) 6_565 .
Lu6 Lu9 Lu5 91.4(10) . .
Lu6 Lu9 Lu2 53.4(8) . .
Lu5 Lu9 Lu2 38.1(3) . .
Lu6 Lu9 C41 114.5(12) . .
Lu5 Lu9 C41 124.4(8) . .
Lu2 Lu9 C41 132.1(8) . .
Lu6 Lu9 N1 77.9(9) . .
Lu5 Lu9 N1 63.7(4) . .
Lu2 Lu9 N1 64.1(4) . .
C41 Lu9 N1 163.2(9) . .
Lu6 Lu9 Lu8 29.0(8) . 6_565
Lu5 Lu9 Lu8 98.5(7) . 6_565
Lu2 Lu9 Lu8 66.7(6) . 6_565
C41 Lu9 Lu8 128.3(8) . 6_565
N1 Lu9 Lu8 57.7(5) . 6_565
Lu6 Lu9 C40 80.9(11) . .
Lu5 Lu9 C40 111.7(7) . .
Lu2 Lu9 C40 98.6(7) . .
C41 Lu9 C40 37.7(2) . .
N1 Lu9 C40 158.1(9) . .
Lu8 Lu9 C40 104.1(8) 6_565 .
Lu6 Lu9 C63 106.9(11) . .
Lu5 Lu9 C63 158.3(9) . .
Lu2 Lu9 C63 155.9(9) . .
C41 Lu9 C63 37.1(2) . .
N1 Lu9 C63 130.6(8) . .
Lu8 Lu9 C63 103.2(7) 6_565 .
C40 Lu9 C63 61.6(3) . .
Lu6 Lu9 Lu10 122.1(11) . .
Lu5 Lu9 Lu10 36.9(5) . .
Lu2 Lu9 Lu10 72.7(6) . .
C41 Lu9 Lu10 116.9(9) . .
N1 Lu9 Lu10 59.2(6) . .
Lu8 Lu9 Lu10 114.7(7) 6_565 .
C40 Lu9 Lu10 131.2(8) . .
C63 Lu9 Lu10 130.1(10) . .
Lu6 Lu9 C62 71.7(10) . .
Lu5 Lu9 C62 161.1(9) . .
Lu2 Lu9 C62 123.9(8) . .
C41 Lu9 C62 59.2(3) . .
N1 Lu9 C62 118.7(7) . .
Lu8 Lu9 C62 71.0(6) 6_565 .
C40 Lu9 C62 58.3(3) . .
C63 Lu9 C62 35.3(2) . .
Lu10 Lu9 C62 161.9(9) . .
Lu6 Lu9 C39 55.6(9) . .
Lu5 Lu9 C39 128.7(8) . .
Lu2 Lu9 C39 97.1(7) . .
C41 Lu9 C39 59.4(3) . .
N1 Lu9 C39 129.6(8) . .
Lu8 Lu9 C39 71.8(6) 6_565 .
C40 Lu9 C39 34.8(2) . .
C63 Lu9 C39 58.8(3) . .
Lu10 Lu9 C39 162.7(8) . .
C62 Lu9 C39 33.8(2) . .
Lu6 Lu9 C42 138.9(13) . .
Lu5 Lu9 C42 91.4(6) . .
Lu2 Lu9 C42 116.6(7) . .
C41 Lu9 C42 36.9(2) . .
N1 Lu9 C42 138.3(8) . .
Lu8 Lu9 C42 163.9(8) 6_565 .
C40 Lu9 C42 60.2(3) . .
C63 Lu9 C42 67.2(4) . .
Lu10 Lu9 C42 80.6(7) . .
C62 Lu9 C42 95.8(4) . .
C39 Lu9 C42 92.1(4) . .
Lu5 Lu10 Lu10 132.6(8) . 6_565
Lu5 Lu10 N1 72.2(9) . .
Lu10 Lu10 N1 69.7(5) 6_565 .
Lu5 Lu10 C24 114.5(10) . .
Lu10 Lu10 C24 94.8(5) 6_565 .
N1 Lu10 C24 160.9(9) . .
Lu5 Lu10 C23 111.3(10) . .
Lu10 Lu10 C23 113.3(5) 6_565 .
N1 Lu10 C23 163.8(10) . .
C24 Lu10 C23 33.4(3) . .
Lu5 Lu10 Lu9 60.5(9) . .
Lu10 Lu10 Lu9 116.7(5) 6_565 .
N1 Lu10 Lu9 58.1(6) . .
C24 Lu10 Lu9 141.1(9) . .
C23 Lu10 Lu9 108.8(8) . .
Lu5 Lu10 C25 87.6(9) . .
Lu10 Lu10 C25 95.8(4) 6_565 .
N1 Lu10 C25 129.7(9) . .
C24 Lu10 C25 37.9(3) . .
C23 Lu10 C25 66.5(5) . .
Lu9 Lu10 C25 144.6(9) . .
Lu5 Lu10 C22 77.4(8) . .
Lu10 Lu10 C22 144.8(5) 6_565 .
N1 Lu10 C22 145.5(10) . .
C24 Lu10 C22 50.9(4) . .
C23 Lu10 C22 33.9(3) . .
Lu9 Lu10 C22 92.9(7) . .
C25 Lu10 C22 63.3(4) . .
Lu5 Lu10 C44 127.7(10) . .
Lu10 Lu10 C44 99.1(4) 6_565 .
N1 Lu10 C44 133.6(8) . .
C24 Lu10 C44 58.0(5) . .
C23 Lu10 C44 31.6(3) . .
Lu9 Lu10 C44 93.1(8) . .
C25 Lu10 C44 95.4(7) . .
C22 Lu10 C44 58.5(4) . .
Lu5 Lu10 C47 146.1(11) . .
Lu10 Lu10 C47 61.3(4) 6_565 .
N1 Lu10 C47 131.0(7) . .
C24 Lu10 C47 35.3(3) . .
C23 Lu10 C47 54.6(5) . .
Lu9 Lu10 C47 149.1(10) . .
C25 Lu10 C47 58.7(5) . .
C22 Lu10 C47 83.4(6) . .
C44 Lu10 C47 59.0(5) . .
Lu5 Lu10 C7 54.2(6) . .
Lu10 Lu10 C7 142.5(4) 6_565 .
N1 Lu10 C7 125.4(9) . .
C24 Lu10 C7 60.8(4) . .
C23 Lu10 C7 62.7(4) . .
Lu9 Lu10 C7 98.4(8) . .
C25 Lu10 C7 47.2(3) . .
C22 Lu10 C7 33.6(2) . .
C44 Lu10 C7 91.5(6) . .
C47 Lu10 C7 95.4(6) . .
Lu5 Lu10 Lu2 16.5(5) . .
Lu10 Lu10 Lu2 120.7(4) 6_565 .
N1 Lu10 Lu2 55.9(5) . .
C24 Lu10 Lu2 130.8(7) . .
C23 Lu10 Lu2 125.7(7) . .
Lu9 Lu10 Lu2 51.5(6) . .
C25 Lu10 Lu2 100.9(7) . .
C22 Lu10 Lu2 92.2(6) . .
C44 Lu10 Lu2 134.7(7) . .
C47 Lu10 Lu2 158.9(8) . .
C7 Lu10 Lu2 70.7(5) . .
C9 C1 C5 121.2 . .
C9 C1 C2 113.7 . .
C5 C1 C2 109.5 . .
C9 C1 Lu2 93.49(15) . .
C5 C1 Lu2 54.83(16) . .
C2 C1 Lu2 82.50(18) . .
C9 C1 Lu5 67.75(19) . .
C5 C1 Lu5 63.10(17) . .
C2 C1 Lu5 106.31(15) . .
Lu2 C1 Lu5 29.81(17) . .
C9 C1 Lu7 96.3(2) . .
C5 C1 Lu7 79.6(3) . .
C2 C1 Lu7 52.9(2) . .
Lu2 C1 Lu7 31.2(2) . .
Lu5 C1 Lu7 53.8(3) . .
C12 C2 C3 116.0 . .
C12 C2 C1 129.4 . .
C3 C2 C1 107.5 . .
C12 C2 Lu7 78.4(3) . .
C3 C2 Lu7 66.8(3) . .
C1 C2 Lu7 97.1(3) . .
C12 C2 Lu2 107.25(14) . .
C3 C2 Lu2 70.23(14) . .
C1 C2 Lu2 64.28(15) . .
Lu7 C2 Lu2 34.5(3) . .
C12 C2 Lu3 51.97(14) . .
C3 C2 Lu3 84.28(16) . .
C1 C2 Lu3 111.69(14) . .
Lu7 C2 Lu3 26.5(3) . .
Lu2 C2 Lu3 57.66(15) . .
C2 C3 C4 107.4 . .
C2 C3 C15 116.9 . .
C4 C3 C15 125.9 . .
C2 C3 Lu7 76.1(3) . .
C4 C3 Lu7 90.9(4) . .
C15 C3 Lu7 72.3(4) . .
C2 C3 Lu2 77.49(14) . .
C4 C3 Lu2 57.30(15) . .
C15 C3 Lu2 103.09(15) . .
Lu7 C3 Lu2 36.0(3) . .
C5 C4 C3 109.0 . .
C5 C4 C18 109.7 . .
C3 C4 C18 121.9 . .
C5 C4 Lu2 62.63(18) . .
C3 C4 Lu2 87.47(19) . .
C18 C4 Lu2 74.13(16) . .
C5 C4 Lu7 87.9(3) . .
C3 C4 Lu7 55.7(2) . .
C18 C4 Lu7 84.4(2) . .
Lu2 C4 Lu7 34.3(3) . .
C1 C5 C4 105.7 . .
C1 C5 C6 121.6 . .
C4 C5 C6 128.3 . .
C1 C5 Lu2 87.86(19) . .
C4 C5 Lu2 75.94(19) . .
C6 C5 Lu2 85.6(2) . .
C1 C5 Lu5 85.57(18) . .
C4 C5 Lu5 108.87(19) . .
C6 C5 Lu5 59.51(18) . .
Lu2 C5 Lu5 33.64(19) . .
C7 C6 C20 106.3 . .
C7 C6 C5 122.2 . .
C20 C6 C5 121.3 . .
C7 C6 Lu5 69.9(3) . .
C20 C6 Lu5 84.46(19) . .
C5 C6 Lu5 83.3(2) . .
C7 C6 Lu2 103.26(15) . .
C20 C6 Lu2 85.02(15) . .
C5 C6 Lu2 55.05(14) . .
Lu5 C6 Lu2 35.1(2) . .
C6 C7 C22 108.9 . .
C6 C7 C8 103.5 . .
C22 C7 C8 132.3 . .
C6 C7 Lu5 70.0(3) . .
C22 C7 Lu5 85.8(2) . .
C8 C7 Lu5 73.4(2) . .
C6 C7 Lu10 99.6(5) . .
C22 C7 Lu10 65.1(4) . .
C8 C7 Lu10 75.8(4) . .
Lu5 C7 Lu10 31.7(5) . .
C9 C8 C25 125.5 . .
C9 C8 C7 140.4 . .
C25 C8 C7 86.8 . .
C9 C8 Lu5 87.8(2) . .
C25 C8 Lu5 93.3(3) . .
C7 C8 Lu5 65.97(19) . .
C9 C8 Lu10 101.7(4) . .
C25 C8 Lu10 62.8(5) . .
C7 C8 Lu10 71.0(4) . .
Lu5 C8 Lu10 30.8(5) . .
C8 C9 C1 107.7 . .
C8 C9 C10 126.4 . .
C1 C9 C10 122.0 . .
C8 C9 Lu5 60.31(18) . .
C1 C9 Lu5 81.3(2) . .
C10 C9 Lu5 106.62(15) . .
C8 C9 Lu2 84.35(15) . .
C1 C9 Lu2 56.28(12) . .
C10 C9 Lu2 106.26(13) . .
Lu5 C9 Lu2 28.74(19) . .
C11 C10 C27 135.0 . .
C11 C10 C9 118.0 . .
C27 C10 C9 103.6 . .
C10 C11 C30 122.7 . .
C10 C11 C12 127.5 . .
C30 C11 C12 105.2 . .
C10 C11 Lu3 112.46(14) . .
C30 C11 Lu3 76.84(14) . .
C12 C11 Lu3 56.19(14) . .
C13 C12 C2 122.7 . .
C13 C12 C11 124.3 . .
C2 C12 C11 109.0 . .
C13 C12 Lu3 65.20(19) . .
C2 C12 Lu3 99.44(16) . .
C11 C12 Lu3 88.54(19) . .
C13 C12 Lu7 82.6(3) . .
C2 C12 Lu7 68.0(3) . .
C11 C12 Lu7 100.0(3) . .
Lu3 C12 Lu7 31.5(3) . .
C12 C13 C32 124.4 . .
C12 C13 C14 119.3 . .
C32 C13 C14 107.0 . .
C12 C13 Lu3 79.9(2) . .
C32 C13 Lu3 79.44(18) . .
C14 C13 Lu3 80.2(2) . .
C12 C13 Lu7 67.4(3) . .
C32 C13 Lu7 108.2(3) . .
C14 C13 Lu7 67.6(3) . .
Lu3 C13 Lu7 29.1(2) . .
C15 C14 C34 119.0 . .
C15 C14 C13 124.9 . .
C34 C14 C13 109.2 . .
C15 C14 Lu3 96.99(16) . .
C34 C14 Lu3 82.6(2) . .
C13 C14 Lu3 63.4(2) . .
C15 C14 Lu7 66.0(3) . .
C34 C14 Lu7 100.8(3) . .
C13 C14 Lu7 80.8(3) . .
Lu3 C14 Lu7 31.2(3) . .
C14 C15 C16 124.7 . .
C14 C15 C3 119.0 . .
C16 C15 C3 108.8 . .
C14 C15 Lu7 85.0(4) . .
C16 C15 Lu7 88.9(3) . .
C3 C15 Lu7 67.8(3) . .
C14 C15 Lu3 57.23(14) . .
C16 C15 Lu3 101.73(17) . .
C3 C15 Lu3 87.31(18) . .
Lu7 C15 Lu3 28.0(3) . .
C36 C16 C17 106.2 . .
C36 C16 C15 121.0 . .
C17 C16 C15 124.3 . .
C36 C16 Lu7 96.6(2) . .
C17 C16 Lu7 92.0(3) . .
C15 C16 Lu7 57.1(2) . .
C38 C17 C16 108.0 . .
C38 C17 C18 92.6 . .
C16 C17 C18 124.0 . .
C38 C17 Lu6 50.38(19) . .
C16 C17 Lu6 94.2(3) . .
C18 C17 Lu6 60.1(3) . .
C19 C18 C17 135.1 . .
C19 C18 C4 118.2 . .
C17 C18 C4 106.6 . .
C19 C18 Lu2 87.30(18) . .
C17 C18 Lu2 110.64(18) . .
C4 C18 Lu2 65.05(14) . .
C19 C18 Lu6 77.7(3) . .
C17 C18 Lu6 87.6(3) . .
C4 C18 Lu6 107.0(2) . .
Lu2 C18 Lu6 43.8(2) . .
C18 C19 C20 128.3 . .
C18 C19 C40 119.1 . .
C20 C19 C40 89.5 . .
C18 C19 Lu6 68.1(3) . .
C20 C19 Lu6 92.2(3) . .
C40 C19 Lu6 64.2(2) . .
C18 C19 Lu2 58.88(15) . .
C20 C19 Lu2 75.40(15) . .
C40 C19 Lu2 99.77(12) . .
Lu6 C19 Lu2 39.5(2) . .
C18 C19 Lu9 90.7(3) . .
C20 C19 Lu9 72.2(4) . .
C40 C19 Lu9 53.5(3) . .
Lu6 C19 Lu9 23.6(3) . .
Lu2 C19 Lu9 46.7(3) . .
C21 C20 C6 108.5 . .
C21 C20 C19 138.0 . .
C6 C20 C19 108.5 . .
C21 C20 Lu5 81.9(2) . .
C6 C20 Lu5 59.28(15) . .
C19 C20 Lu5 100.7(2) . .
C21 C20 Lu2 110.08(13) . .
C6 C20 Lu2 61.66(12) . .
C19 C20 Lu2 71.89(14) . .
Lu5 C20 Lu2 30.6(2) . .
C21 C20 Lu9 76.3(4) . .
C6 C20 Lu9 102.7(3) . .
C19 C20 Lu9 76.8(4) . .
Lu5 C20 Lu9 44.8(3) . .
Lu2 C20 Lu9 47.0(3) . .
C42 C21 C22 118.0 . .
C42 C21 C20 123.6 . .
C22 C21 C20 108.4 . .
C42 C21 Lu5 104.90(14) . .
C22 C21 Lu5 66.79(18) . .
C20 C21 Lu5 65.5(2) . .
C42 C21 Lu9 67.4(3) . .
C22 C21 Lu9 102.5(3) . .
C20 C21 Lu9 73.0(4) . .
Lu5 C21 Lu9 42.9(3) . .
C23 C22 C21 113.6 . .
C23 C22 C7 128.8 . .
C21 C22 C7 107.8 . .
C23 C22 Lu10 66.8(5) . .
C21 C22 Lu10 95.0(5) . .
C7 C22 Lu10 81.3(5) . .
C23 C22 Lu5 99.4(2) . .
C21 C22 Lu5 81.40(18) . .
C7 C22 Lu5 58.34(15) . .
Lu10 C22 Lu5 32.6(5) . .
C24 C23 C44 125.8 . .
C24 C23 C22 97.5 . .
C44 C23 C22 127.8 . .
C24 C23 Lu10 71.7(5) . .
C44 C23 Lu10 87.6(4) . .
C22 C23 Lu10 79.3(5) . .
C23 C24 C47 107.2 . .
C23 C24 C25 132.3 . .
C47 C24 C25 109.3 . .
C23 C24 Lu10 74.9(5) . .
C47 C24 Lu10 86.5(5) . .
C25 C24 Lu10 77.7(5) . .
C8 C25 C24 134.1 . .
C8 C25 C26 107.6 . .
C24 C25 C26 107.0 . .
C8 C25 Lu10 85.5(5) . .
C24 C25 Lu10 64.4(5) . .
C26 C25 Lu10 91.5(4) . .
C8 C25 Lu5 55.32(18) . .
C24 C25 Lu5 87.78(18) . .
C26 C25 Lu5 103.66(15) . .
Lu10 C25 Lu5 30.5(5) . .
C27 C26 C48 124.2 . .
C27 C26 C25 119.1 . .
C48 C26 C25 108.1 . .
C27 C26 Lu10 99.3(4) . .
C48 C26 Lu10 82.3(4) . .
C25 C26 Lu10 56.6(3) . .
C10 C27 C26 136.4 . .
C10 C27 C28 106.9 . .
C26 C27 C28 110.5 . .
C50 C28 C29 108.8 . .
C50 C28 C27 124.9 . .
C29 C28 C27 117.5 . .
C30 C29 C52 117.8 . .
C30 C29 C28 128.7 . .
C52 C29 C28 109.1 . .
C29 C30 C31 120.8 . .
C29 C30 C11 108.9 . .
C31 C30 C11 126.3 . .
C29 C30 Lu3 116.94(14) . .
C31 C30 Lu3 67.58(16) . .
C11 C30 Lu3 72.87(16) . .
C32 C31 C54 111.5 . .
C32 C31 C30 124.4 . .
C54 C31 C30 118.5 . .
C32 C31 Lu3 61.78(16) . .
C54 C31 Lu3 104.56(17) . .
C30 C31 Lu3 82.93(19) . .
C31 C32 C33 125.5 . .
C31 C32 C13 115.2 . .
C33 C32 C13 108.0 . .
C31 C32 Lu3 87.05(18) . .
C33 C32 Lu3 83.4(2) . .
C13 C32 Lu3 64.11(17) . .
C31 C32 Lu1 83.97(19) . .
C33 C32 Lu1 62.13(15) . .
C13 C32 Lu1 92.5(2) . .
Lu3 C32 Lu1 30.49(19) . .
C56 C33 C32 119.3 . .
C56 C33 C34 119.3 . .
C32 C33 C34 109.4 . .
C56 C33 Lu1 64.3(2) . .
C32 C33 Lu1 88.0(2) . .
C34 C33 Lu1 84.7(2) . .
C56 C33 Lu3 95.97(16) . .
C32 C33 Lu3 64.05(19) . .
C34 C33 Lu3 74.23(16) . .
Lu1 C33 Lu3 32.7(2) . .
C35 C34 C14 118.4 . .
C35 C34 C33 126.4 . .
C14 C34 C33 106.1 . .
C35 C34 Lu3 98.78(17) . .
C14 C34 Lu3 64.65(17) . .
C33 C34 Lu3 73.90(14) . .
C35 C34 Lu1 82.4(2) . .
C14 C34 Lu1 95.49(18) . .
C33 C34 Lu1 64.38(19) . .
Lu3 C34 Lu1 30.91(19) . .
C35 C34 Lu4 63.57(17) . .
C14 C34 Lu4 95.14(17) . .
C33 C34 Lu4 85.24(15) . .
Lu3 C34 Lu4 38.2(2) . .
Lu1 C34 Lu4 21.54(15) . .
C34 C35 C58 135.6 . .
C34 C35 C36 137.4 . .
C58 C35 C36 79.8 . .
C34 C35 Lu4 92.6(2) . .
C58 C35 Lu4 64.9(2) . .
C36 C35 Lu4 82.55(18) . .
C34 C35 Lu1 74.65(19) . .
C58 C35 Lu1 73.2(2) . .
C36 C35 Lu1 103.14(17) . .
Lu4 C35 Lu1 21.00(16) . .
C34 C35 Lu3 59.48(14) . .
C58 C35 Lu3 99.67(14) . .
C36 C35 Lu3 98.18(13) . .
Lu4 C35 Lu3 36.1(2) . .
Lu1 C35 Lu3 28.44(18) . .
C16 C36 C37 108.1 . .
C16 C36 C35 98.3 . .
C37 C36 C35 138.6 . .
C16 C36 Lu4 97.17(18) . .
C37 C36 Lu4 83.64(19) . .
C35 C36 Lu4 61.49(17) . .
C60 C37 C36 115.3 . .
C60 C37 C38 123.7 . .
C36 C37 C38 107.1 . .
C60 C37 Lu6 85.9(2) . .
C36 C37 Lu6 99.8(2) . .
C38 C37 Lu6 50.8(2) . .
C17 C38 C39 138.0 . .
C17 C38 C37 106.4 . .
C39 C38 C37 114.6 . .
C17 C38 Lu6 99.1(3) . .
C39 C38 Lu6 67.6(3) . .
C37 C38 Lu6 97.6(3) . .
C38 C39 C62 112.2 . .
C38 C39 C40 129.6 . .
C62 C39 C40 105.4 . .
C38 C39 Lu6 73.0(4) . .
C62 C39 Lu6 81.0(3) . .
C40 C39 Lu6 81.4(4) . .
C38 C39 Lu9 99.3(3) . .
C62 C39 Lu9 70.5(4) . .
C40 C39 Lu9 63.0(4) . .
Lu6 C39 Lu9 26.3(4) . .
C41 C40 C39 108.8 . .
C41 C40 C19 141.0 . .
C39 C40 C19 98.5 . .
C41 C40 Lu9 68.1(4) . .
C39 C40 Lu9 82.2(4) . .
C19 C40 Lu9 89.4(4) . .
C41 C40 Lu6 93.5(3) . .
C39 C40 Lu6 61.3(3) . .
C19 C40 Lu6 75.5(3) . .
Lu9 C40 Lu6 28.1(4) . .
C63 C41 C40 108.5 . .
C63 C41 C42 130.2 . .
C40 C41 C42 109.7 . .
C63 C41 Lu9 74.7(4) . .
C40 C41 Lu9 74.2(5) . .
C42 C41 Lu9 86.2(4) . .
C63 C41 Lu6 74.2(2) . .
C40 C41 Lu6 56.1(2) . .
C42 C41 Lu6 102.5(2) . .
Lu9 C41 Lu6 21.2(4) . .
C43 C42 C21 125.9 . .
C43 C42 C41 102.0 . .
C21 C42 C41 116.1 . .
C43 C42 Lu9 87.3(4) . .
C21 C42 Lu9 83.4(3) . .
C41 C42 Lu9 56.9(3) . .
C42 C43 C44 115.0 . .
C42 C43 C65 129.5 . .
C44 C43 C65 108.2 . .
C42 C43 Lu9 64.4(3) . .
C44 C43 Lu9 106.3(3) . .
C65 C43 Lu9 79.7(3) . .
C23 C44 C43 117.9 . .
C23 C44 C45 122.9 . .
C43 C44 C45 108.0 . .
C23 C44 Lu10 60.7(4) . .
C43 C44 Lu10 91.4(4) . .
C45 C44 Lu10 87.2(4) . .
C46 C45 C66 133.5 . .
C46 C45 C44 110.3 . .
C66 C45 C44 108.1 . .
C46 C45 Lu10 74.9(4) . .
C66 C45 Lu10 100.3(4) . .
C44 C45 Lu10 63.5(3) . .
C47 C46 C45 127.7 . .
C47 C46 C69 129.0 . .
C45 C46 C69 98.9 . .
C47 C46 Lu10 66.6(4) . .
C45 C46 Lu10 79.1(4) . .
C69 C46 Lu10 110.5(3) . .
C46 C47 C24 124.7 . .
C46 C47 C48 117.4 . .
C24 C47 C48 107.0 . .
C46 C47 Lu10 87.8(4) . .
C24 C47 Lu10 58.2(4) . .
C48 C47 Lu10 92.2(4) . .
C49 C48 C26 124.3 . .
C49 C48 C47 116.7 . .
C26 C48 C47 107.9 . .
C48 C49 C70 124.3 . .
C48 C49 C50 113.0 . .
C70 C49 C50 113.6 . .
C28 C50 C51 104.6 . .
C28 C50 C49 121.5 . .
C51 C50 C49 123.1 . .
C72 C51 C52 114.4 . .
C72 C51 C50 123.0 . .
C52 C51 C50 110.8 . .
C53 C52 C29 119.6 . .
C53 C52 C51 121.0 . .
C29 C52 C51 106.2 . .
C54 C53 C74 105.4 . .
C54 C53 C52 119.9 . .
C74 C53 C52 132.0 . .
C53 C54 C55 108.5 . .
C53 C54 C31 121.2 . .
C55 C54 C31 120.2 . .
C75 C55 C56 105.8 . .
C75 C55 C54 105.5 . .
C56 C55 C54 126.9 . .
C75 C55 Lu1 76.8(2) . .
C56 C55 Lu1 57.67(17) . .
C54 C55 Lu1 89.83(19) . .
C75 C55 Lu8 56.5(3) . .
C56 C55 Lu8 65.8(3) . .
C54 C55 Lu8 99.1(2) . .
Lu1 C55 Lu8 20.8(3) . .
C55 C56 C33 111.9 . .
C55 C56 C57 142.9 . .
C33 C56 C57 101.2 . .
C55 C56 Lu1 91.9(2) . .
C33 C56 Lu1 82.7(3) . .
C57 C56 Lu1 75.7(2) . .
C55 C56 Lu8 87.2(3) . .
C33 C56 Lu8 104.6(3) . .
C57 C56 Lu8 68.0(3) . .
Lu1 C56 Lu8 22.3(3) . .
C55 C56 Lu4 109.77(14) . .
C33 C56 Lu4 81.08(18) . .
C57 C56 Lu4 58.31(16) . .
Lu1 C56 Lu4 18.6(2) . .
Lu8 C56 Lu4 27.8(3) . .
C77 C57 C58 108.0 . .
C77 C57 C56 88.9 . .
C58 C57 C56 146.0 . .
C77 C57 Lu1 72.1(2) . .
C58 C57 Lu1 90.9(2) . .
C56 C57 Lu1 65.9(2) . .
C77 C57 Lu4 78.15(19) . .
C58 C57 Lu4 66.65(18) . .
C56 C57 Lu4 89.3(2) . .
Lu1 C57 Lu4 24.45(18) . .
C77 C57 Lu8 49.6(3) . .
C58 C57 Lu8 90.3(3) . .
C56 C57 Lu8 78.4(3) . .
Lu1 C57 Lu8 24.4(3) . .
Lu4 C57 Lu8 31.1(3) . .
C57 C58 C59 108.0 . .
C57 C58 C35 87.1 . .
C59 C58 C35 142.7 . .
C57 C58 Lu4 78.69(19) . .
C59 C58 Lu4 73.2(2) . .
C35 C58 Lu4 76.9(2) . .
C57 C58 Lu1 58.76(17) . .
C59 C58 Lu1 84.37(17) . .
C35 C58 Lu1 74.6(2) . .
Lu4 C58 Lu1 20.20(14) . .
C57 C58 Lu8 61.0(3) . .
C59 C58 Lu8 65.4(3) . .
C35 C58 Lu8 95.6(3) . .
Lu4 C58 Lu8 26.3(3) . .
Lu1 C58 Lu8 21.1(2) . .
C58 C59 C78 108.0 . .
C58 C59 C60 109.3 . .
C78 C59 C60 135.5 . .
C58 C59 Lu4 71.0(2) . .
C78 C59 Lu4 79.54(18) . .
C60 C59 Lu4 90.39(18) . .
C58 C59 Lu8 85.9(3) . .
C78 C59 Lu8 49.4(3) . .
C60 C59 Lu8 110.7(3) . .
Lu4 C59 Lu8 30.2(3) . .
C37 C60 C61 123.1 . .
C37 C60 C59 120.2 . .
C61 C60 C59 103.9 . .
C37 C60 Lu4 87.41(17) . .
C61 C60 Lu4 88.29(17) . .
C59 C60 Lu4 57.17(15) . .
C62 C61 C60 109.9 . .
C62 C61 C80 125.3 . .
C60 C61 C80 124.7 . .
C62 C61 Lu6 61.7(3) . .
C60 C61 Lu6 88.1(3) . .
C80 C61 Lu6 113.7(2) . .
C62 C61 Lu9 56.9(3) . .
C60 C61 Lu9 110.8(3) . .
C80 C61 Lu9 97.5(3) . .
Lu6 C61 Lu9 22.8(3) . .
C61 C62 C63 111.3 . .
C61 C62 C39 128.8 . .
C63 C62 C39 109.8 . .
C61 C62 Lu6 87.3(3) . .
C63 C62 Lu6 92.4(3) . .
C39 C62 Lu6 61.7(3) . .
C61 C62 Lu9 95.1(3) . .
C63 C62 Lu9 65.4(4) . .
C39 C62 Lu9 75.7(4) . .
Lu6 C62 Lu9 27.1(4) . .
C41 C63 C64 118.7 . .
C41 C63 C62 107.2 . .
C64 C63 C62 127.1 . .
C41 C63 Lu9 68.2(4) . .
C64 C63 Lu9 94.0(4) . .
C62 C63 Lu9 79.3(5) . .
C41 C63 Lu6 76.7(3) . .
C64 C63 Lu6 108.7(2) . .
C62 C63 Lu6 56.8(2) . .
Lu9 C63 Lu6 22.6(4) . .
C65 C64 C63 112.1 . .
C65 C64 C81 121.2 . .
C63 C64 C81 114.9 . .
C65 C64 Lu9 84.5(4) . .
C63 C64 Lu9 55.1(3) . .
C81 C64 Lu9 94.9(3) . .
C64 C65 C43 126.3 . .
C64 C65 C66 120.9 . .
C43 C65 C66 107.1 . .
C45 C66 C65 108.1 . .
C45 C66 C67 129.3 . .
C65 C66 C67 113.8 . .
C68 C67 C82 119.7 . .
C68 C67 C66 99.2 . .
C82 C67 C66 122.6 . .
C67 C68 C85 116.7 . .
C67 C68 C69 129.2 . .
C85 C68 C69 107.3 . .
C70 C69 C68 108.3 . .
C70 C69 C46 114.0 . .
C68 C69 C46 126.2 . .
C69 C70 C71 108.0 . .
C69 C70 C49 118.0 . .
C71 C70 C49 121.3 . .
C85 C71 C70 107.4 . .
C85 C71 C72 116.9 . .
C70 C71 C72 124.5 . .
C51 C72 C73 115.0 . .
C51 C72 C71 113.9 . .
C73 C72 C71 120.3 . .
C74 C73 C72 130.8 . .
C74 C73 C86 109.2 . .
C72 C73 C86 118.9 . .
C53 C74 C75 104.8 . .
C53 C74 C73 103.7 . .
C75 C74 C73 116.0 . .
C55 C75 C74 104.9 . .
C55 C75 C76 128.0 . .
C74 C75 C76 125.4 . .
C55 C75 Lu8 97.4(3) . .
C74 C75 Lu8 117.0(3) . .
C76 C75 Lu8 72.8(3) . .
C55 C75 Lu1 74.61(18) . .
C74 C75 Lu1 118.30(17) . .
C76 C75 Lu1 90.7(2) . .
Lu8 C75 Lu1 23.2(3) . .
C75 C76 C87 109.8 . .
C75 C76 C77 101.0 . .
C87 C76 C77 112.6 . .
C75 C76 Lu8 74.5(3) . .
C87 C76 Lu8 79.9(3) . .
C77 C76 Lu8 52.7(3) . .
C57 C77 C78 108.0 . .
C57 C77 C76 140.2 . .
C78 C77 C76 111.7 . .
C57 C77 Lu8 97.4(4) . .
C78 C77 Lu8 72.9(4) . .
C76 C77 Lu8 91.5(5) . .
C57 C77 Lu1 73.3(2) . .
C78 C77 Lu1 90.5(2) . .
C76 C77 Lu1 103.2(2) . .
Lu8 C77 Lu1 26.2(3) . .
C57 C77 Lu4 69.06(18) . .
C78 C77 Lu4 70.8(2) . .
C76 C77 Lu4 121.96(16) . .
Lu8 C77 Lu4 31.4(4) . .
Lu1 C77 Lu4 23.60(19) . .
C79 C78 C59 106.3 . .
C79 C78 C77 143.4 . .
C59 C78 C77 108.0 . .
C79 C78 Lu8 96.1(4) . .
C59 C78 Lu8 99.2(4) . .
C77 C78 Lu8 66.1(4) . .
C79 C78 Lu4 106.36(19) . .
C59 C78 Lu4 66.36(17) . .
C77 C78 Lu4 76.60(19) . .
Lu8 C78 Lu4 32.9(4) . .
C79 C78 Lu1 112.37(13) . .
C59 C78 Lu1 85.2(2) . .
C77 C78 Lu1 58.89(15) . .
Lu8 C78 Lu1 18.9(4) . .
Lu4 C78 Lu1 21.55(14) . .
C78 C79 C88 98.6 . .
C78 C79 C80 129.4 . .
C88 C79 C80 120.0 . .
C78 C79 Lu8 53.5(3) . .
C88 C79 Lu8 76.7(3) . .
C80 C79 Lu8 102.4(3) . .
C81 C80 C79 120.0 . .
C81 C80 C61 118.2 . .
C79 C80 C61 114.4 . .
C80 C81 C82 120.0 . .
C80 C81 C64 121.0 . .
C82 C81 C64 117.5 . .
C81 C82 C83 120.0 . .
C81 C82 C67 120.2 . .
C83 C82 C67 118.0 . .
C88 C83 C82 120.0 . .
C88 C83 C84 114.3 . .
C82 C83 C84 121.5 . .
C83 C84 C85 119.4 . .
C83 C84 C86 104.3 . .
C85 C84 C86 119.3 . .
C84 C85 C71 123.5 . .
C84 C85 C68 120.3 . .
C71 C85 C68 108.9 . .
C87 C86 C84 104.9 . .
C87 C86 C73 126.4 . .
C84 C86 C73 120.5 . .
C86 C87 C88 112.5 . .
C86 C87 C76 118.2 . .
C88 C87 C76 119.2 . .
C86 C87 Lu8 99.4(3) . .
C88 C87 Lu8 73.2(3) . .
C76 C87 Lu8 67.8(3) . .
C83 C88 C79 120.0 . .
C83 C88 C87 101.3 . .
C79 C88 C87 132.3 . .
C83 C88 Lu8 104.5(3) . .
C79 C88 Lu8 72.2(3) . .
C87 C88 Lu8 75.3(3) . .
N2A Ni1A N2A 177.9(4) . 6_565
N2A Ni1A N3A 90.0(2) . .
N2A Ni1A N3A 90.0(2) 6_565 .
N2A Ni1A N1A 90.0(2) . .
N2A Ni1A N1A 90.0(2) 6_565 .
N3A Ni1A N1A 178.9(4) . .
C6A N2A C13A 104.4(7) . .
C6A N2A Ni1A 127.7(6) . .
C13A N2A Ni1A 127.8(6) . .
C3A C2A C1A 112.6(7) . .
N4A Ni2A N4A 180.0(3) 6_565 2_756
N4A Ni2A N4A 89.5(5) 6_565 5_766
N4A Ni2A N4A 90.5(5) 2_756 5_766
N4A Ni2A N4A 90.5(5) 6_565 .
N4A Ni2A N4A 89.5(5) 2_756 .
N4A Ni2A N4A 180.0 5_766 .
C15A N3A C15A 104.6(10) 6_565 .
C15A N3A Ni1A 127.7(5) 6_565 .
C15A N3A Ni1A 127.7(5) . .
C3A C3A C4A 106.4(4) 6_565 .
C3A C3A C2A 128.5(5) 6_565 .
C4A C3A C2A 125.0(7) . .
N1A C4A C5A 124.8(7) . .
N1A C4A C3A 111.2(7) . .
C5A C4A C3A 124.0(7) . .
C27A N4A C20A 103.9(8) . .
C27A N4A Ni2A 127.7(6) . .
C20A N4A Ni2A 128.4(7) . .
C6A C5A C4A 124.7(7) . .
C5A C6A N2A 125.2(7) . .
C5A C6A C7A 123.7(7) . .
N2A C6A C7A 111.1(7) . .
C10A C7A C6A 106.2(7) . .
C10A C7A C8A 129.8(8) . .
C6A C7A C8A 124.0(8) . .
C7A C8A C9A 111.8(8) . .
C7A C10A C13A 107.3(7) . .
C7A C10A C11A 128.7(8) . .
C13A C10A C11A 124.1(8) . .
C10A C11A C12A 112.8(8) . .
C14A C13A N2A 124.9(7) . .
C14A C13A C10A 124.1(7) . .
N2A C13A C10A 111.0(7) . .
C13A C14A C15A 124.8(7) . .
C14A C15A N3A 124.7(8) . .
C14A C15A C16A 124.6(8) . .
N3A C15A C16A 110.7(8) . .
C16A C16A C15A 107.0(5) 6_565 .
C16A C16A C17A 129.0(5) 6_565 .
C15A C16A C17A 123.9(8) . .
C16A C17A C18A 114.1(8) . .
C20A C19A C20A 124.1(12) . 2_756
C19A C20A N4A 124.8(9) . .
C19A C20A C21A 123.9(9) . .
N4A C20A C21A 111.3(9) . .
C24A C21A C20A 106.8(9) . .
C24A C21A C22A 127.6(10) . .
C20A C21A C22A 125.6(10) . .
C21A C22A C23A 112.6(9) . .
C21A C24A C27A 106.5(9) . .
C21A C24A C25A 129.5(10) . .
C27A C24A C25A 123.9(10) . .
C26A C25A C24A 113.4(10) . .
N4A C27A C28A 124.8(10) . .
N4A C27A C24A 111.6(9) . .
C28A C27A C24A 123.7(10) . .
C27A C28A C27A 124.5(14) . 6_565
C4A N1A C4A 104.8(10) . 6_565
C4A N1A Ni1A 127.6(5) . .
C4A N1A Ni1A 127.6(5) 6_565 .
C2D C1D C2D 123(5) 6 .
C3D C4D C3D 120(3) 6 .
C1D C2D C3D 117(3) . .
C2D C3D C4D 118(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Lu1 Lu4 1.028(7) .
Lu1 Lu8 1.066(12) .
Lu1 Lu7 1.259(12) 6_565
Lu1 Lu3 1.431(9) .
Lu1 Lu1 1.676(15) 6_565
Lu1 Lu6 2.147(14) 6_565
Lu1 N1 2.162(11) .
Lu1 C56 2.262(6) .
Lu1 Lu8 2.296(14) 6_565
Lu1 C77 2.385(9) .
Lu1 C57 2.401(7) .
Lu1 Lu7 2.409(13) .
N1 Lu3 2.109(12) .
N1 Lu4 2.132(13) .
N1 Lu7 2.142(13) 6_565
N1 Lu7 2.142(13) .
N1 Lu1 2.162(11) 6_565
N1 Lu8 2.198(14) 6_565
N1 Lu8 2.198(14) .
N1 Lu9 2.244(14) 6_565
N1 Lu9 2.244(13) .
N1 Lu10 2.27(2) 6_565
N1 Lu10 2.27(2) .
Lu2 Lu5 1.408(8) .
Lu2 Lu7 1.525(13) .
Lu2 Lu6 1.792(9) .
Lu2 C5 1.992(6) .
Lu2 C4 2.176(6) .
Lu2 Lu9 2.222(15) .
Lu2 C18 2.308(6) .
Lu2 C6 2.423(7) .
Lu2 C1 2.435(6) .
Lu2 Lu1 2.437(8) 6_565
Lu2 Lu8 2.490(14) 6_565
Lu3 Lu7 1.319(13) 6_565
Lu3 Lu7 1.319(13) .
Lu3 Lu1 1.431(9) 6_565
Lu3 Lu4 1.754(11) .
Lu3 C13 2.142(7) .
Lu3 C12 2.323(8) .
Lu3 C32 2.341(7) .
Lu3 C14 2.360(7) .
Lu3 Lu8 2.391(14) .
Lu3 Lu8 2.392(14) 6_565
Lu4 Lu1 1.028(7) 6_565
Lu4 Lu8 1.354(14) 6_565
Lu4 Lu8 1.354(14) .
Lu4 Lu7 2.151(12) .
Lu4 Lu7 2.151(12) 6_565
Lu4 C58 2.293(7) .
Lu4 C59 2.321(9) .
Lu4 C57 2.449(7) .
Lu4 C35 2.466(8) .
Lu5 Lu10 1.42(2) .
Lu5 Lu9 2.064(14) .
Lu5 C7 2.197(7) .
Lu5 C6 2.198(7) .
Lu5 C8 2.305(7) .
Lu5 Lu6 2.390(12) .
Lu5 C5 2.533(9) .
Lu5 C20 2.545(8) .
Lu5 C22 2.574(8) .
Lu5 Lu7 2.613(14) .
Lu6 Lu9 1.157(16) .
Lu6 Lu8 1.410(15) 6_565
Lu6 Lu1 2.146(14) 6_565
Lu6 C39 2.154(9) .
Lu6 C38 2.228(11) .
Lu6 Lu7 2.243(15) .
Lu6 C62 2.416(10) .
Lu6 C40 2.427(12) .
Lu6 C18 2.479(11) .
Lu7 Lu1 1.259(12) 6_565
Lu7 Lu8 1.935(16) 6_565
Lu7 C3 2.236(10) .
Lu7 C15 2.301(11) .
Lu7 C2 2.361(10) .
Lu7 C12 2.495(11) .
Lu8 Lu6 1.410(15) 6_565
Lu8 Lu7 1.935(16) 6_565
Lu8 C77 1.979(11) .
Lu8 C78 2.068(13) .
Lu8 Lu1 2.296(14) 6_565
Lu8 Lu9 2.306(19) 6_565
Lu8 Lu8 2.47(3) 6_565
Lu8 C76 2.486(13) .
Lu9 C41 2.241(13) .
Lu9 Lu8 2.306(19) 6_565
Lu9 C40 2.324(14) .
Lu9 C63 2.327(13) .
Lu9 Lu10 2.35(2) .
Lu9 C62 2.514(15) .
Lu9 C39 2.584(16) .
Lu9 C42 2.670(16) .
Lu10 Lu10 1.58(3) 6_565
Lu10 C24 2.28(2) .
Lu10 C23 2.32(2) .
Lu10 C25 2.471(18) .
Lu10 C22 2.479(17) .
Lu10 C44 2.66(2) .
Lu10 C47 2.68(2) .
Lu10 C7 2.702(17) .
C1 C9 1.4736 .
C1 C5 1.4770 .
C1 C2 1.4804 .
C2 C12 1.4116 .
C2 C3 1.4661 .
C3 C4 1.4915 .
C3 C15 1.5514 .
C4 C5 1.4843 .
C4 C18 1.5688 .
C5 C6 1.5419 .
C6 C7 1.5076 .
C6 C20 1.5123 .
C7 C22 1.5131 .
C7 C8 1.5668 .
C8 C9 1.4033 .
C8 C25 1.4606 .
C9 C10 1.5141 .
C10 C11 1.2853 .
C10 C27 1.3566 .
C11 C30 1.4751 .
C11 C12 1.6145 .
C12 C13 1.3496 .
C13 C32 1.4143 .
C13 C14 1.4221 .
C14 C15 1.2207 .
C14 C34 1.4149 .
C15 C16 1.5299 .
C16 C36 1.4823 .
C16 C17 1.4902 .
C17 C38 1.4687 .
C17 C18 1.5258 .
C18 C19 1.5008 .
C19 C20 1.5313 .
C19 C40 1.7426 .
C20 C21 1.5091 .
C21 C42 1.4077 .
C21 C22 1.4761 .
C22 C23 1.4074 .
C23 C24 1.3206 .
C23 C44 1.3935 .
C24 C47 1.5485 .
C24 C25 1.5541 .
C25 C26 1.5622 .
C26 C27 1.3782 .
C26 C48 1.5577 .
C27 C28 1.5603 .
C28 C50 1.4521 .
C28 C29 1.4556 .
C29 C30 1.3816 .
C29 C52 1.4251 .
C30 C31 1.4129 .
C31 C32 1.3750 .
C31 C54 1.3869 .
C32 C33 1.4021 .
C33 C56 1.3711 .
C33 C34 1.4208 .
C34 C35 1.1133 .
C35 C58 1.5635 .
C35 C36 1.6478 .
C36 C37 1.4902 .
C37 C60 1.3218 .
C37 C38 1.5048 .
C38 C39 1.4791 .
C39 C62 1.4822 .
C39 C40 1.4875 .
C40 C41 1.4765 .
C41 C63 1.4569 .
C41 C42 1.6078 .
C42 C43 1.4041 .
C43 C44 1.4461 .
C43 C65 1.4539 .
C44 C45 1.4521 .
C45 C46 1.3247 .
C45 C66 1.4415 .
C46 C47 1.2567 .
C46 C69 1.5477 .
C47 C48 1.5646 .
C48 C49 1.4097 .
C49 C70 1.4805 .
C49 C50 1.4961 .
C50 C51 1.4658 .
C51 C72 1.4402 .
C51 C52 1.4427 .
C52 C53 1.3811 .
C53 C54 1.3521 .
C53 C74 1.3547 .
C54 C55 1.3562 .
C55 C75 1.3265 .
C55 C56 1.3550 .
C56 C57 1.5400 .
C57 C77 1.4198 .
C57 C58 1.4200 .
C58 C59 1.4200 .
C59 C78 1.4200 .
C59 C60 1.4812 .
C60 C61 1.4368 .
C61 C62 1.4118 .
C61 C80 1.4808 .
C62 C63 1.4785 .
C63 C64 1.4584 .
C64 C65 1.4489 .
C64 C81 1.4745 .
C65 C66 1.4612 .
C66 C67 1.4793 .
C67 C68 1.4503 .
C67 C82 1.4616 .
C68 C85 1.4556 .
C68 C69 1.4619 .
C69 C70 1.4546 .
C70 C71 1.4655 .
C71 C85 1.4547 .
C71 C72 1.4772 .
C72 C73 1.4704 .
C73 C74 1.4267 .
C73 C86 1.4763 .
C74 C75 1.3812 .
C75 C76 1.4077 .
C76 C87 1.4350 .
C76 C77 1.4539 .
C77 C78 1.4201 .
C78 C79 1.3031 .
C79 C88 1.3900 .
C79 C80 1.3900 .
C80 C81 1.3900 .
C81 C82 1.3900 .
C82 C83 1.3900 .
C83 C88 1.3900 .
C83 C84 1.4250 .
C84 C85 1.4279 .
C84 C86 1.4308 .
C86 C87 1.4179 .
C87 C88 1.4306 .
Ni1A N2A 1.956(8) .
Ni1A N2A 1.956(8) 6_565
Ni1A N3A 1.969(11) .
Ni1A N1A 1.977(12) .
C1A C2A 1.535(12) .
N2A C6A 1.378(11) .
N2A C13A 1.378(11) .
C2A C3A 1.505(11) .
Ni2A N4A 1.956(8) 6_565
Ni2A N4A 1.956(8) 2_756
Ni2A N4A 1.956(8) 5_766
Ni2A N4A 1.956(8) .
N3A C15A 1.377(10) 6_565
N3A C15A 1.377(10) .
C3A C3A 1.356(16) 6_565
C3A C4A 1.435(10) .
C4A N1A 1.367(10) .
C4A C5A 1.379(11) .
N4A C27A 1.378(13) .
N4A C20A 1.385(12) .
C5A C6A 1.362(11) .
C6A C7A 1.455(11) .
C7A C10A 1.344(12) .
C7A C8A 1.502(12) .
C8A C9A 1.539(13) .
C10A C13A 1.443(11) .
C10A C11A 1.509(12) .
C11A C12A 1.531(15) .
C13A C14A 1.369(11) .
C14A C15A 1.372(12) .
C15A C16A 1.445(11) .
C16A C16A 1.334(18) 6_565
C16A C17A 1.509(12) .
C17A C18A 1.521(14) .
C19A C20A 1.372(12) .
C19A C20A 1.372(11) 2_756
C20A C21A 1.438(14) .
C21A C24A 1.352(15) .
C21A C22A 1.501(14) .
C22A C23A 1.516(17) .
C24A C27A 1.442(14) .
C24A C25A 1.505(16) .
C25A C26A 1.478(19) .
C27A C28A 1.379(12) .
C28A C27A 1.379(12) 6_565
N1A C4A 1.367(10) 6_565
C1D C2D 1.22(3) 6
C1D C2D 1.22(3) .
C4D C3D 1.30(2) 6
C4D C3D 1.30(2) .
C2D C3D 1.28(3) .
