#------------------------------------------------------------------------------
#$Date: 2019-11-25 17:03:34 +0200 (Mon, 25 Nov 2019) $
#$Revision: 241404 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/11/4131115.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_4131115
loop_
_publ_author_name
'Liu, Fupin'
'Gao, Cong-Li'
'Deng, Qingming'
'Zhu, Xianjun'
'Kostanyan, Aram'
'Westerström, Rasmus'
'Wang, Song'
'Tan, Yuan-Zhi'
'Tao, Jun'
'Xie, Su-Yuan'
'Popov, Alexey A.'
'Greber, Thomas'
'Yang, Shangfeng'
_publ_section_title
;
 Triangular Monometallic Cyanide Cluster Entrapped in Carbon Cage with
 Geometry-Dependent Molecular Magnetism.
;
_journal_issue                   44
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14764
_journal_page_last               14771
_journal_paper_doi               10.1021/jacs.6b09329
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety
;
Tb CN C82, Ni N4 C36 H44, 2 (C6 H6)
;
_chemical_formula_sum            'C131 H56 N5 Ni Tb'
_chemical_formula_weight         1917.43
_chemical_name_common            ;TbNC@C2v(9)-C82/Ni(OEP)/2benzene;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 94.727(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.3790(12)
_cell_length_b                   15.1280(7)
_cell_length_c                   19.8700(10)
_cell_measurement_reflns_used    4222
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      62.1440
_cell_measurement_theta_min      5.4290
_cell_volume                     7602.8(6)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.3415
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0527
_diffrn_reflns_av_unetI/netI     0.0717
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12641
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        62.336
_diffrn_reflns_theta_max         62.336
_diffrn_reflns_theta_min         3.404
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    5.374
_exptl_absorpt_correction_T_max  0.9482
_exptl_absorpt_correction_T_min  0.9001
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3880
_exptl_crystal_size_max          0.020
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.441
_refine_diff_density_min         -1.228
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.575
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     957
_refine_ls_number_reflns         6119
_refine_ls_number_restraints     1451
_refine_ls_restrained_S_all      1.812
_refine_ls_R_factor_all          0.1928
_refine_ls_R_factor_gt           0.1386
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3759
_refine_ls_wR_factor_ref         0.4197
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3802
_reflns_number_total             6119
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja6b09329_si_003.cif
_cod_data_source_block           tbc83niii
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4131115
_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.
;
_shelx_estimated_absorpt_t_min   0.900
_shelx_estimated_absorpt_t_max   0.948
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
Tb1 Tb 0.3407(2) 0.0966(3) 0.2861(3) 0.0566(13) Uani 0.233(3) 1 d . . P A 1
N1 N 0.2708(15) 0.0000 0.308(2) 0.223(14) Uani 1 2 d S TU P A 1
C83 C 0.3083(19) 0.0000 0.335(2) 0.216(15) Uani 1 2 d S TU P A 1
Tb2 Tb 0.3307(6) 0.0772(11) 0.2530(8) 0.0566(13) Uani 0.071(3) 1 d . . P B 2
Tb3 Tb 0.3001(4) 0.1219(6) 0.3611(5) 0.0566(13) Uani 0.0710(15) 1 d . . P C 3
Tb4 Tb 0.3185(10) 0.1143(17) 0.2628(13) 0.0566(13) Uani 0.043(3) 1 d . . P D 4
Tb5 Tb 0.3246(15) 0.122(2) 0.319(2) 0.0566(13) Uani 0.0220(19) 1 d . . P E 5
Tb6 Tb 0.2514(8) 0.1005(14) 0.3118(10) 0.030(7) Uiso 0.025(2) 1 d . . P F 6
Tb7 Tb 0.367(2) 0.056(4) 0.306(2) 0.061(16) Uiso 0.019(3) 1 d . . P G 7
Tb8 Tb 0.233(2) 0.0000 0.363(3) 0.05(2) Uiso 0.016(3) 2 d S . P H 8
Tb9 Tb 0.376(2) 0.0000 0.327(3) 0.05(2) Uiso 0.017(4) 2 d S . P I 9
C01A C 0.3748(9) 0.1026(13) 0.1564(12) 0.084(6) Uani 0.5 1 d D U P A 1
C02A C 0.3256(9) 0.0830(14) 0.1262(14) 0.077(6) Uani 0.5 1 d D U P A 1
C03A C 0.2825(9) 0.1458(16) 0.1372(13) 0.084(6) Uani 0.5 1 d D U P A 1
C04A C 0.2946(8) 0.2155(18) 0.1820(12) 0.090(6) Uani 0.5 1 d D U P A 1
C05A C 0.3477(10) 0.2287(18) 0.2194(11) 0.098(7) Uani 0.5 1 d D U P A 1
C06A C 0.3855(10) 0.1738(18) 0.2050(12) 0.094(7) Uani 0.5 1 d D U P A 1
C07A C 0.4267(9) 0.1430(14) 0.2611(12) 0.096(7) Uani 0.5 1 d D U P A 1
C08A C 0.4385(9) 0.0552(13) 0.2404(11) 0.088(6) Uani 0.5 1 d D U P A 1
C09A C 0.4094(8) 0.0284(14) 0.1788(11) 0.084(6) Uani 0.5 1 d D U P A 1
C10A C 0.4565(7) 0.0000 0.2888(9) 0.104(5) Uani 1 2 d DS TU P A 1
C11A C 0.4616(7) 0.0000 0.3548(10) 0.115(6) Uani 1 2 d DS TU P A 1
C12A C 0.4196(13) 0.0891(17) 0.4493(16) 0.151(8) Uani 0.5 1 d D U P A 1
C13A C 0.4261(12) 0.1678(18) 0.3300(13) 0.097(7) Uani 0.5 1 d D U P A 1
C14A C 0.3777(14) 0.232(2) 0.3475(14) 0.117(7) Uani 0.5 1 d D U P A 1
C15A C 0.3411(11) 0.257(3) 0.2951(14) 0.114(7) Uani 0.5 1 d D U P A 1
C16A C 0.2818(11) 0.269(3) 0.2937(15) 0.125(7) Uani 0.5 1 d D U P A 1
C17A C 0.2564(10) 0.239(2) 0.2259(11) 0.114(4) Uani 0.5 1 d D U P A 1
C18A C 0.2098(11) 0.204(2) 0.2175(12) 0.114(4) Uani 0.5 1 d D U P A 1
C19A C 0.2328(10) 0.1138(16) 0.1277(15) 0.114(4) Uani 0.5 1 d D U P A 1
C20A C 0.2223(9) 0.0000 0.1147(12) 0.135(7) Uani 1 2 d DS TU P A 1
C21A C 0.1987(11) 0.144(2) 0.1741(15) 0.114(4) Uani 0.5 1 d D U P A 1
C22A C 0.2068(12) 0.217(2) 0.3397(13) 0.132(3) Uani 0.5 1 d D U P A 1
C23A C 0.2606(12) 0.261(2) 0.3438(13) 0.132(3) Uani 0.5 1 d D U P A 1
C24A C 0.2901(12) 0.238(2) 0.4081(15) 0.132(3) Uani 0.5 1 d D U P A 1
C25A C 0.3515(12) 0.220(2) 0.4096(18) 0.129(7) Uani 0.5 1 d D U P A 1
C26A C 0.1784(8) 0.0000 0.1481(11) 0.144(7) Uani 1 2 d DS TU P A 1
C27A C 0.3128(7) 0.0000 0.1077(8) 0.089(5) Uani 1 2 d DS TU P A 1
C28A C 0.3740(10) 0.149(2) 0.4686(15) 0.138(8) Uani 0.5 1 d D U P A 1
C29A C 0.4429(14) 0.0960(18) 0.3862(13) 0.124(7) Uani 0.5 1 d D U P A 1
C30A C 0.1838(11) 0.1900(19) 0.2922(12) 0.124(7) Uani 0.5 1 d D U P A 1
C31A C 0.3310(11) 0.0940(18) 0.496(2) 0.149(8) Uani 0.5 1 d D U P A 1
C32A C 0.1812(14) -0.055(2) 0.4342(17) 0.135(7) Uani 0.5 1 d D U P A 1
C33A C 0.2566(10) 0.181(3) 0.4433(16) 0.132(3) Uani 0.5 1 d D U P A 1
C34A C 0.1509(13) 0.125(2) 0.2919(12) 0.136(8) Uani 0.5 1 d D U P A 1
C35A C 0.1413(15) 0.0657(16) 0.2405(14) 0.146(8) Uani 0.5 1 d D U P A 1
C36A C 0.1588(11) 0.0740(16) 0.1790(14) 0.147(8) Uani 0.5 1 d D U P A 1
C37A C 0.1323(9) 0.0000 0.2658(12) 0.144(7) Uani 1 2 d DS TU P A 1
C38A C 0.1352(10) 0.0000 0.3285(12) 0.143(7) Uani 1 2 d DS TU P A 1
C39A C 0.1483(17) 0.0782(17) 0.3473(14) 0.142(8) Uani 0.5 1 d D U P A 1
C40A C 0.2087(11) -0.205(3) 0.3780(16) 0.139(8) Uani 0.5 1 d D U P A 1
C41A C 0.2033(14) 0.170(3) 0.4057(13) 0.132(3) Uani 0.5 1 d D U P A 1
C42A C 0.1763(16) 0.1046(17) 0.4037(14) 0.132(3) Uani 0.5 1 d D U P A 1
C43A C 0.1898(14) 0.0000 0.4554(13) 0.143(6) Uani 1 2 d DS TU P A 1
C44A C 0.2774(12) 0.1103(18) 0.4898(19) 0.132(3) Uani 0.5 1 d D U P A 1
C45A C 0.2395(11) 0.0000 0.4962(17) 0.155(6) Uani 1 2 d DS TU P A 1
C46A C 0.3544(9) 0.0000 0.5107(10) 0.147(7) Uani 1 2 d DS TU P A 1
C47A C 0.3317(12) -0.205(2) 0.1797(15) 0.121(7) Uani 0.5 1 d D U P A 1
C48A C 0.3142(10) -0.1509(18) 0.1392(16) 0.111(7) Uani 0.5 1 d D U P A 1
C49A C 0.4384(15) -0.145(2) 0.3305(14) 0.111(7) Uani 0.5 1 d D U P A 1
C50A C 0.4074(8) 0.0000 0.4797(10) 0.151(7) Uani 1 2 d DS TU P A 1
C51A C 0.1663(13) -0.153(2) 0.2644(15) 0.131(7) Uani 0.5 1 d D U P A 1
C52A C 0.4115(10) -0.1216(17) 0.2155(14) 0.097(6) Uani 0.5 1 d D U P A 1
C53A C 0.2347(9) -0.2536(19) 0.3198(13) 0.125(7) Uani 0.5 1 d D U P A 1
C54A C 0.2595(9) -0.0367(12) 0.1057(11) 0.095(6) Uani 0.5 1 d D U P A 1
C55A C 0.3325(11) -0.1488(18) 0.4837(12) 0.112(6) Uani 0.5 1 d D U P A 1
C56A C 0.2933(9) -0.2634(19) 0.3296(12) 0.099(7) Uani 0.5 1 d D U P A 1
C57A C 0.3807(12) -0.201(2) 0.2188(18) 0.110(7) Uani 0.5 1 d D U P A 1
C58A C 0.3747(9) -0.238(2) 0.2787(13) 0.105(7) Uani 0.5 1 d D U P A 1
C59A C 0.2946(11) -0.246(2) 0.2144(12) 0.103(7) Uani 0.5 1 d D U P A 1
C60A C 0.3236(12) -0.065(2) 0.5128(16) 0.140(7) Uani 0.5 1 d D U P A 1
C61A C 0.4435(12) -0.0964(16) 0.2730(12) 0.098(7) Uani 0.5 1 d D U P A 1
C62A C 0.3903(10) -0.0532(15) 0.1707(13) 0.094(6) Uani 0.5 1 d D U P A 1
C63A C 0.2282(13) -0.182(3) 0.4296(17) 0.130(7) Uani 0.5 1 d D U P A 1
C64A C 0.2159(11) -0.220(2) 0.2567(16) 0.138(8) Uani 0.5 1 d D U P A 1
C65A C 0.1650(12) -0.1487(19) 0.3417(15) 0.130(7) Uani 0.5 1 d D U P A 1
C66A C 0.3996(11) -0.213(3) 0.3337(16) 0.114(7) Uani 0.5 1 d D U P A 1
C67A C 0.2371(13) -0.223(3) 0.2111(16) 0.115(7) Uani 0.5 1 d D U P A 1
C68A C 0.1776(13) -0.088(2) 0.1853(19) 0.143(7) Uani 0.5 1 d D U P A 1
C69A C 0.3176(9) -0.271(2) 0.2759(13) 0.111(7) Uani 0.5 1 d D U P A 1
C70A C 0.1499(16) -0.0775(19) 0.3690(14) 0.133(7) Uani 0.5 1 d D U P A 1
C71A C 0.2137(12) -0.156(2) 0.163(2) 0.114(7) Uani 0.5 1 d D U P A 1
C72A C 0.4155(14) -0.0845(19) 0.4403(17) 0.148(8) Uani 0.5 1 d D U P A 1
C73A C 0.2577(11) -0.1284(18) 0.1303(17) 0.105(7) Uani 0.5 1 d D U P A 1
C74A C 0.3469(10) -0.0717(15) 0.1273(16) 0.096(7) Uani 0.5 1 d D U P A 1
C75A C 0.3739(10) -0.2219(19) 0.3978(12) 0.109(4) Uani 0.5 1 d D U P A 1
C76A C 0.1520(14) -0.0945(19) 0.2308(14) 0.133(8) Uani 0.5 1 d D U P A 1
C77A C 0.2231(18) -0.098(3) 0.4717(19) 0.128(6) Uani 0.5 1 d . U P A 1
C78A C 0.4483(16) -0.0810(17) 0.3869(15) 0.133(8) Uani 0.5 1 d D U P A 1
C79A C 0.2623(14) -0.060(2) 0.5026(15) 0.124(7) Uani 0.5 1 d D U P A 1
C80A C 0.3835(11) -0.1552(18) 0.4482(13) 0.109(4) Uani 0.5 1 d D U P A 1
C81A C 0.3193(9) -0.2417(19) 0.3929(12) 0.109(4) Uani 0.5 1 d D U P A 1
C82A C 0.2959(10) -0.206(2) 0.4498(12) 0.109(4) Uani 0.5 1 d D U P A 1
Ni1P Ni 0.48120(7) 0.0000 0.08160(9) 0.0276(6) Uani 1 2 d S T P J 1
N1P N 0.4799(2) 0.1305(5) 0.0832(3) 0.0302(16) Uani 1 1 d . . . J 1
N2P N 0.4235(3) 0.0000 0.0092(5) 0.026(2) Uani 1 2 d S T P J 1
N3P N 0.5362(3) 0.0000 0.1568(4) 0.026(2) Uani 1 2 d S T P J 1
C01P C 0.5588(3) 0.0712(6) 0.1903(4) 0.0320(19) Uani 1 1 d . . . J 1
C02P C 0.5951(3) 0.0450(6) 0.2463(4) 0.036(2) Uani 1 1 d . . . J 1
C03P C 0.5476(3) 0.1595(6) 0.1751(4) 0.0342(19) Uani 1 1 d . . . J 1
H03P H 0.5669 0.2041 0.2002 0.041 Uiso 1 1 calc R U . J 1
C04P C 0.5100(3) 0.1844(5) 0.1254(4) 0.0297(18) Uani 1 1 d . . . J 1
C05P C 0.4572(3) 0.2772(6) 0.0600(4) 0.035(2) Uani 1 1 d . . . J 1
C06P C 0.3557(3) -0.0443(6) -0.0691(4) 0.0316(19) Uani 1 1 d . . . J 1
C07P C 0.3984(3) -0.0720(6) -0.0203(4) 0.0305(18) Uani 1 1 d . . . J 1
C08P C 0.4099(3) -0.1585(5) -0.0060(4) 0.0299(18) Uani 1 1 d . . . J 1
H08P H 0.3905 -0.2028 -0.0313 0.036 Uiso 1 1 calc R U . J 1
C09P C 0.4480(3) 0.1849(5) 0.0429(4) 0.0271(18) Uani 1 1 d . . . J 1
C10P C 0.4962(3) 0.2778(5) 0.1125(4) 0.035(2) Uani 1 1 d . . . J 1
C11P C 0.5200(4) 0.3529(6) 0.1529(5) 0.044(2) Uani 1 1 d . . . J 1
H11A H 0.5144 0.4079 0.1264 0.053 Uiso 1 1 calc R U . J 1
H11B H 0.5586 0.3431 0.1604 0.053 Uiso 1 1 calc R U . J 1
C12P C 0.4980(4) 0.3657(7) 0.2206(6) 0.058(3) Uani 1 1 d . . . J 1
H12A H 0.5156 0.4161 0.2439 0.087 Uiso 1 1 calc R U . J 1
H12B H 0.4599 0.3772 0.2138 0.087 Uiso 1 1 calc R U . J 1
H12C H 0.5042 0.3123 0.2479 0.087 Uiso 1 1 calc R U . J 1
C13P C 0.4281(3) 0.3532(5) 0.0278(5) 0.038(2) Uani 1 1 d . . . J 1
H13A H 0.4238 0.3435 -0.0216 0.046 Uiso 1 1 calc R U . J 1
H13B H 0.4496 0.4074 0.0362 0.046 Uiso 1 1 calc R U . J 1
C14P C 0.3725(4) 0.3686(6) 0.0538(6) 0.052(3) Uani 1 1 d . . . J 1
H14A H 0.3557 0.4195 0.0305 0.078 Uiso 1 1 calc R U . J 1
H14B H 0.3506 0.3159 0.0446 0.078 Uiso 1 1 calc R U . J 1
H14C H 0.3764 0.3799 0.1025 0.078 Uiso 1 1 calc R U . J 1
C15P C 0.3178(3) -0.1073(7) -0.1062(4) 0.040(2) Uani 1 1 d . . . J 1
H15A H 0.3374 -0.1603 -0.1195 0.047 Uiso 1 1 calc R U . J 1
H15B H 0.3021 -0.0786 -0.1479 0.047 Uiso 1 1 calc R U . J 1
C16P C 0.2732(4) -0.1359(8) -0.0623(5) 0.053(3) Uani 1 1 d . . . J 1
H16A H 0.2493 -0.1768 -0.0880 0.079 Uiso 1 1 calc R U . J 1
H16B H 0.2887 -0.1653 -0.0214 0.079 Uiso 1 1 calc R U . J 1
H16C H 0.2534 -0.0837 -0.0497 0.079 Uiso 1 1 calc R U . J 1
C17P C 0.6235(4) 0.1073(7) 0.2957(4) 0.042(2) Uani 1 1 d . . . J 1
H17A H 0.6383 0.1568 0.2706 0.051 Uiso 1 1 calc R U . J 1
H17B H 0.6534 0.0758 0.3202 0.051 Uiso 1 1 calc R U . J 1
C18P C 0.5880(4) 0.1444(7) 0.3464(5) 0.050(3) Uani 1 1 d . . . J 1
H18A H 0.6084 0.1845 0.3773 0.075 Uiso 1 1 calc R U . J 1
H18B H 0.5587 0.1769 0.3226 0.075 Uiso 1 1 calc R U . J 1
H18C H 0.5738 0.0959 0.3722 0.075 Uiso 1 1 calc R U . J 1
C01S C 0.3406(9) 0.5000 0.3496(9) 0.089(6) Uani 1 2 d S T P K 1
H01S H 0.3526 0.5000 0.3962 0.107 Uiso 1 2 calc R U P K 1
C02S C 0.2895(7) 0.5000 0.3320(8) 0.063(4) Uani 1 2 d S T P K 1
H02S H 0.2653 0.5000 0.3660 0.076 Uiso 1 2 calc R U P K 1
C03S C 0.2705(6) 0.5000 0.2653(7) 0.053(4) Uani 1 2 d S T P K 1
H03S H 0.2336 0.5000 0.2528 0.063 Uiso 1 2 calc R U P K 1
C04S C 0.3064(5) 0.5000 0.2171(7) 0.054(4) Uani 1 2 d S T P K 1
H04S H 0.2942 0.5000 0.1706 0.065 Uiso 1 2 calc R U P K 1
C05S C 0.3596(6) 0.5000 0.2356(8) 0.059(4) Uani 1 2 d S T P K 1
H05S H 0.3841 0.5000 0.2019 0.070 Uiso 1 2 calc R U P K 1
C06S C 0.3775(7) 0.5000 0.3015(10) 0.086(6) Uani 1 2 d S T P K 1
H06S H 0.4143 0.5000 0.3147 0.103 Uiso 1 2 calc R U P K 1
C07S C 0.4775(10) 0.3543(18) 0.5714(12) 0.099(10) Uani 0.5 1 d G U P L -1
H07S H 0.4599 0.3475 0.6114 0.119 Uiso 0.5 1 calc R U P L -1
C08S C 0.4516(9) 0.3333(19) 0.5091(13) 0.130(12) Uani 0.5 1 d G U P L -1
H08S H 0.4163 0.3122 0.5065 0.156 Uiso 0.5 1 calc R U P L -1
C09S C 0.4774(13) 0.343(2) 0.4505(12) 0.168(14) Uani 0.5 1 d G U P L -1
H09S H 0.4597 0.3289 0.4079 0.202 Uiso 0.5 1 calc R U P L -1
C10S C 0.5292(13) 0.374(2) 0.4542(14) 0.140(14) Uani 0.5 1 d G U P L -1
H10S H 0.5468 0.3810 0.4142 0.167 Uiso 0.5 1 calc R U P L -1
C11S C 0.5551(9) 0.3951(18) 0.5166(17) 0.123(12) Uani 0.5 1 d G U P L -1
H11S H 0.5904 0.4163 0.5191 0.148 Uiso 0.5 1 calc R U P L -1
C12S C 0.5293(9) 0.3852(16) 0.5751(14) 0.101(10) Uani 0.5 1 d G U P L -1
H12S H 0.5470 0.3995 0.6177 0.121 Uiso 0.5 1 calc R U P L -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -9.1472 9.1891 '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
C83 Tb1 C58A 152.5(14) . 6
C83 Tb1 C57A 174.1(14) . 6
C58A Tb1 C57A 33.3(7) 6 6
C83 Tb1 C06A 161.7(13) . .
C58A Tb1 C06A 45.2(8) 6 .
C57A Tb1 C06A 12.4(9) 6 .
C83 Tb1 N1 26.2(12) . .
C58A Tb1 N1 150.6(9) 6 .
C57A Tb1 N1 152.3(11) 6 .
C06A Tb1 N1 147.6(11) . .
C83 Tb1 C07A 138.3(13) . .
C58A Tb1 C07A 50.4(8) 6 .
C57A Tb1 C07A 40.3(8) 6 .
C06A Tb1 C07A 37.8(7) . .
N1 Tb1 C07A 159.0(8) . .
C83 Tb1 C52A 140.2(13) . 6
C58A Tb1 C52A 61.0(9) 6 6
C57A Tb1 C52A 35.1(9) 6 6
C06A Tb1 C52A 25.2(8) . 6
N1 Tb1 C52A 144.6(10) . 6
C07A Tb1 C52A 24.3(7) . 6
C83 Tb1 C05A 159.6(14) . .
C58A Tb1 C05A 32.4(8) 6 .
C57A Tb1 C05A 22.7(8) 6 .
C06A Tb1 C05A 32.1(8) . .
N1 Tb1 C05A 134.7(9) . .
C07A Tb1 C05A 62.1(7) . .
C52A Tb1 C05A 57.0(8) 6 .
C83 Tb1 C15A 134.5(14) . .
C58A Tb1 C15A 23.7(8) 6 .
C57A Tb1 C15A 51.3(10) 6 .
C06A Tb1 C15A 63.7(9) . .
N1 Tb1 C15A 126.9(10) . .
C07A Tb1 C15A 73.9(8) . .
C52A Tb1 C15A 83.5(9) 6 .
C05A Tb1 C15A 38.2(8) . .
C83 Tb1 C66A 127.3(14) . 6
C58A Tb1 C66A 30.8(9) 6 6
C57A Tb1 C66A 57.3(9) 6 6
C06A Tb1 C66A 66.0(9) . 6
N1 Tb1 C66A 144.6(12) . 6
C07A Tb1 C66A 47.8(9) . 6
C52A Tb1 C66A 69.5(9) 6 6
C05A Tb1 C66A 63.0(8) . 6
C15A Tb1 C66A 41.9(8) . 6
C83 Tb1 C13A 121.8(14) . .
C58A Tb1 C13A 46.4(9) 6 .
C57A Tb1 C13A 60.6(9) 6 .
C06A Tb1 C13A 64.7(7) . .
N1 Tb1 C13A 147.0(11) . .
C07A Tb1 C13A 33.6(8) . .
C52A Tb1 C13A 57.9(8) 6 .
C05A Tb1 C13A 74.6(7) . .
C15A Tb1 C13A 63.2(8) . .
C66A Tb1 C13A 22.4(8) 6 .
C83 Tb1 C14A 120.9(14) . .
C58A Tb1 C14A 32.4(9) 6 .
C57A Tb1 C14A 64.6(10) 6 .
C06A Tb1 C14A 75.4(9) . .
N1 Tb1 C14A 131.7(12) . .
C07A Tb1 C14A 63.3(9) . .
C52A Tb1 C14A 83.6(10) 6 .
C05A Tb1 C14A 63.5(8) . .
C15A Tb1 C14A 32.5(8) . .
C66A Tb1 C14A 16.1(9) 6 .
C13A Tb1 C14A 37.6(9) . .
C83 N1 Tb1 56(3) . 6
C83 N1 Tb1 56(3) . .
Tb1 N1 Tb1 76.2(12) 6 .
N1 C83 Tb1 98(3) . 6
N1 C83 Tb1 98(3) . .
Tb1 C83 Tb1 95(2) 6 .
C62A C01A C74A 94(3) 6 6
C62A C01A C02A 109(2) 6 .
C62A C01A C06A 111(2) 6 .
C74A C01A C06A 145(3) 6 .
C02A C01A C06A 124.3(17) . .
C62A C01A C52A 71(2) 6 6
C74A C01A C52A 159(3) 6 6
C02A C01A C52A 153(2) . 6
C74A C01A C09A 101(2) 6 .
C02A C01A C09A 117.8(15) . .
C06A C01A C09A 106.8(14) . .
C52A C01A C09A 65.3(15) 6 .
C62A C01A C48A 143(3) 6 6
C74A C01A C48A 59.9(18) 6 6
C06A C01A C48A 86.1(16) . 6
C52A C01A C48A 125(2) 6 6
C09A C01A C48A 152.9(19) . 6
C62A C01A C57A 116(3) 6 6
C74A C01A C57A 139(3) 6 6
C02A C01A C57A 117.8(16) . 6
C52A C01A C57A 47.5(14) 6 6
C09A C01A C57A 112.2(16) . 6
C48A C01A C57A 79.7(15) 6 6
C62A C01A C47A 146(3) 6 6
C74A C01A C47A 97(2) 6 6
C02A C01A C47A 76.6(14) . 6
C06A C01A C47A 48.9(13) . 6
C52A C01A C47A 89.3(16) 6 6
C09A C01A C47A 148.9(18) . 6
C62A C01A Tb1 81(3) 6 .
C74A C01A Tb1 105(3) 6 .
C02A C01A Tb1 93.2(15) . .
C06A C01A Tb1 57.8(14) . .
C52A C01A Tb1 59.4(14) 6 .
C09A C01A Tb1 85.3(12) . .
C48A C01A Tb1 81.7(15) 6 .
C57A C01A Tb1 56.3(14) 6 .
C47A C01A Tb1 65.6(12) 6 .
C74A C02A C48A 123(5) 6 6
C74A C02A C27A 86(4) 6 .
C48A C02A C27A 151(2) 6 .
C48A C02A C01A 87(2) 6 .
C27A C02A C01A 120.9(16) . .
C74A C02A C03A 155(4) 6 .
C27A C02A C03A 118.4(16) . .
C01A C02A C03A 117.0(16) . .
C74A C02A C54A 138(4) 6 6
C48A C02A C54A 98.8(19) 6 6
C27A C02A C54A 52.0(11) . 6
C01A C02A C54A 164(2) . 6
C03A C02A C54A 66.6(12) . 6
C48A C02A C62A 111(2) 6 6
C27A C02A C62A 95.1(15) . 6
C03A C02A C62A 136.2(18) . 6
C54A C02A C62A 140.4(18) 6 6
C74A C02A C73A 174(5) 6 6
C48A C02A C73A 52.0(15) 6 6
C27A C02A C73A 98.7(15) . 6
C01A C02A C73A 135.4(18) . 6
C54A C02A C73A 46.9(10) 6 6
C62A C02A C73A 149(2) 6 6
C73A C03A C48A 161(6) 6 6
C48A C03A C19A 164(3) 6 .
C73A C03A C04A 124(4) 6 .
C48A C03A C04A 74(3) 6 .
C19A C03A C04A 120.9(16) . .
C73A C03A C02A 114(4) 6 .
C48A C03A C02A 47(3) 6 .
C19A C03A C02A 116.3(16) . .
C04A C03A C02A 116.9(15) . .
C73A C03A C47A 158(5) 6 6
C19A C03A C47A 154(2) . 6
C02A C03A C47A 83.6(14) . 6
C73A C03A C54A 48(3) 6 6
C48A C03A C54A 113(3) 6 6
C19A C03A C54A 50.6(11) . 6
C04A C03A C54A 160(2) . 6
C02A C03A C54A 66.0(12) . 6
C47A C03A C54A 146.8(18) 6 6
C48A C03A C71A 158(4) 6 6
C04A C03A C71A 85.3(16) . 6
C02A C03A C71A 144.7(19) . 6
C47A C03A C71A 118.7(19) 6 6
C54A C03A C71A 83.9(14) 6 6
C73A C03A C74A 121(4) 6 6
C19A C03A C74A 123.1(16) . 6
C04A C03A C74A 110.2(15) . 6
C47A C03A C74A 76.7(14) 6 6
C54A C03A C74A 72.8(13) 6 6
C71A C03A C74A 150(2) 6 6
C59A C04A C47A 102(4) 6 6
C59A C04A C03A 160(4) 6 .
C47A C04A C03A 90(3) 6 .
C59A C04A C17A 46(2) 6 .
C47A C04A C17A 144(3) 6 .
C03A C04A C17A 117.5(18) . .
C59A C04A C48A 156(4) 6 6
C47A C04A C48A 57(2) 6 6
C17A C04A C48A 148(2) . 6
C59A C04A C05A 65(2) 6 .
C03A C04A C05A 123.9(17) . .
C17A C04A C05A 107.3(15) . .
C48A C04A C05A 92.6(16) 6 .
C59A C04A C67A 67(3) 6 6
C47A C04A C67A 161(4) 6 6
C03A C04A C67A 97.2(19) . 6
C48A C04A C67A 130(2) 6 6
C05A C04A C67A 127.9(18) . 6
C59A C04A C73A 145(3) 6 6
C47A C04A C73A 108(3) 6 6
C17A C04A C73A 100.4(16) . 6
C48A C04A C73A 50.8(16) 6 6
C05A C04A C73A 139.0(18) . 6
C67A C04A C73A 79.7(18) 6 6
C59A C04A Tb1 79(3) 6 .
C47A C04A Tb1 66(3) 6 .
C03A C04A Tb1 92.3(16) . .
C17A C04A Tb1 88.5(17) . .
C48A C04A Tb1 82.0(17) 6 .
C05A C04A Tb1 55.8(13) . .
C67A C04A Tb1 96.4(17) 6 .
C73A C04A Tb1 96.2(15) 6 .
C47A C05A C57A 98(3) 6 6
C47A C05A C06A 81(2) 6 .
C47A C05A C58A 163(4) 6 6
C57A C05A C58A 70(2) 6 6
C06A C05A C58A 85.7(19) . 6
C47A C05A C59A 70(2) 6 6
C57A C05A C59A 164(4) 6 6
C06A C05A C59A 147(2) . 6
C58A C05A C59A 119(2) 6 6
C57A C05A C04A 134(3) 6 .
C06A C05A C04A 116.8(16) . .
C58A C05A C04A 147(2) 6 .
C47A C05A C69A 125(3) 6 6
C57A C05A C69A 133(3) 6 6
C06A C05A C69A 146(2) . 6
C58A C05A C69A 63.8(16) 6 6
C59A C05A C69A 55.4(15) 6 6
C04A C05A C69A 86.5(15) . 6
C47A C05A C15A 147(3) 6 .
C57A C05A C15A 107(3) 6 .
C06A C05A C15A 120.8(17) . .
C59A C05A C15A 80.5(17) 6 .
C04A C05A C15A 110.2(15) . .
C47A C05A Tb1 95(3) 6 .
C57A C05A Tb1 75(4) 6 .
C06A C05A Tb1 71.7(16) . .
C58A C05A Tb1 69.8(18) 6 .
C59A C05A Tb1 94.7(19) 6 .
C04A C05A Tb1 93.3(16) . .
C69A C05A Tb1 83.1(17) 6 .
C15A C05A Tb1 71.8(16) . .
C57A C06A C52A 132(6) 6 6
C52A C06A C05A 154(3) 6 .
C57A C06A C01A 155(5) 6 .
C52A C06A C01A 70(2) 6 .
C05A C06A C01A 120.6(16) . .
C57A C06A C47A 71(4) 6 6
C52A C06A C47A 149(3) 6 6
C01A C06A C47A 83.8(17) . 6
C57A C06A C07A 92(5) 6 .
C05A C06A C07A 119.9(16) . .
C01A C06A C07A 109.6(16) . .
C47A C06A C07A 153(2) 6 .
C52A C06A C58A 113(2) 6 6
C05A C06A C58A 47.2(13) . 6
C01A C06A C58A 155(2) . 6
C47A C06A C58A 84.8(19) 6 6
C07A C06A C58A 73.3(14) . 6
C57A C06A C62A 163(8) 6 6
C05A C06A C62A 137(2) . 6
C47A C06A C62A 104.8(18) 6 6
C07A C06A C62A 84.9(13) . 6
C58A C06A C62A 144(2) 6 6
C57A C06A Tb1 83(8) 6 .
C52A C06A Tb1 80(3) 6 .
C05A C06A Tb1 76.3(16) . .
C01A C06A Tb1 90.7(16) . .
C47A C06A Tb1 85(2) 6 .
C07A C06A Tb1 72.0(14) . .
C58A C06A Tb1 66.2(13) 6 .
C62A C06A Tb1 79.8(14) 6 .
C61A C07A C52A 97(3) 6 6
C61A C07A C49A 72(3) 6 6
C52A C07A C49A 160(3) 6 6
C61A C07A C13A 90(2) 6 .
C52A C07A C13A 157(3) 6 .
C52A C07A C08A 61.0(19) 6 .
C49A C07A C08A 106.1(19) 6 .
C13A C07A C08A 122.8(17) . .
C61A C07A C06A 139(3) 6 .
C49A C07A C06A 142(2) 6 .
C13A C07A C06A 124.0(16) . .
C08A C07A C06A 102.6(15) . .
C61A C07A C57A 155(3) 6 6
C52A C07A C57A 60(2) 6 6
C49A C07A C57A 126(2) 6 6
C13A C07A C57A 107.0(18) . 6
C08A C07A C57A 120.4(18) . 6
C61A C07A C66A 116(3) 6 6
C52A C07A C66A 135(3) 6 6
C49A C07A C66A 46.7(17) 6 6
C08A C07A C66A 144.0(19) . 6
C06A C07A C66A 96.4(14) . 6
C57A C07A C66A 79.1(17) 6 6
C61A C07A C58A 151(3) 6 6
C52A C07A C58A 100(2) 6 6
C49A C07A C58A 84.2(19) 6 6
C13A C07A C58A 65.3(14) . 6
C08A C07A C58A 151.0(19) . 6
C06A C07A C58A 59.4(12) . 6
C61A C07A Tb1 98(3) 6 .
C52A C07A Tb1 79(2) 6 .
C49A C07A Tb1 86(2) 6 .
C13A C07A Tb1 78.2(16) . .
C08A C07A Tb1 90.2(14) . .
C06A C07A Tb1 70.2(14) . .
C57A C07A Tb1 68.7(17) 6 .
C66A C07A Tb1 67.9(13) 6 .
C58A C07A Tb1 63.1(10) 6 .
C61A C08A C52A 77(3) 6 6
C61A C08A C10A 84(3) 6 .
C52A C08A C10A 155(2) 6 .
C10A C08A C07A 116.3(15) . .
C61A C08A C09A 147(3) 6 .
C52A C08A C09A 70.9(16) 6 .
C10A C08A C09A 124.3(15) . .
C07A C08A C09A 113.7(15) . .
C61A C08A C08A 134(2) 6 6
C52A C08A C08A 141.1(14) 6 6
C10A C08A C08A 51.0(9) . 6
C07A C08A C08A 158.3(13) . 6
C09A C08A C08A 73.6(10) . 6
C61A C08A C62A 128(3) 6 6
C52A C08A C62A 53.4(14) 6 6
C10A C08A C62A 137.0(17) . 6
C07A C08A C62A 95.4(15) . 6
C08A C08A C62A 89.0(10) 6 6
C61A C08A C09A 165(3) 6 6
C52A C08A C09A 96.2(16) 6 6
C10A C08A C09A 98.2(14) . 6
C07A C08A C09A 137.4(16) . 6
C61A C08A Tb1 72(3) 6 .
C52A C08A Tb1 59.4(16) 6 .
C10A C08A Tb1 99.7(14) . .
C07A C08A Tb1 58.9(13) . .
C09A C08A Tb1 86.1(13) . .
C08A C08A Tb1 103.0(4) 6 .
C62A C08A Tb1 71.5(12) 6 .
C09A C08A Tb1 92.9(11) 6 .
C62A C09A C09A 127(3) 6 6
C62A C09A C62A 105(4) 6 .
C62A C09A C08A 113(4) 6 .
C09A C09A C08A 106.4(10) 6 .
C62A C09A C08A 121.4(19) . .
C09A C09A C01A 139.7(10) 6 .
C62A C09A C01A 118.0(16) . .
C08A C09A C01A 107.2(15) . .
C62A C09A C52A 65(3) 6 6
C09A C09A C52A 152.7(12) 6 6
C62A C09A C52A 151(3) . 6
C08A C09A C52A 50.3(12) . 6
C01A C09A C52A 57.2(12) . 6
C62A C09A C08A 146(5) 6 6
C09A C09A C08A 47.4(10) 6 6
C62A C09A C08A 64.6(13) . 6
C08A C09A C08A 59.0(14) . 6
C01A C09A C08A 155.3(19) . 6
C52A C09A C08A 107.7(15) 6 6
C09A C09A C74A 109.8(9) 6 6
C62A C09A C74A 88.6(15) . 6
C08A C09A C74A 134.4(16) . 6
C52A C09A C74A 86.5(14) 6 6
C08A C09A C74A 147.1(18) 6 6
C11A C10A C08A 136.6(11) . .
C11A C10A C08A 136.6(11) . 6
C08A C10A C08A 78.0(17) . 6
C11A C10A C61A 102.1(10) . 6
C08A C10A C61A 113.3(14) 6 6
C11A C10A C61A 102.1(10) . .
C08A C10A C61A 113.3(14) . .
C61A C10A C61A 147(2) 6 .
C10A C11A C78A 116.1(13) . 6
C10A C11A C78A 116.1(13) . .
C78A C11A C78A 117(2) 6 .
C10A C11A C29A 111.6(11) . 6
C78A C11A C29A 119.5(14) 6 6
C10A C11A C29A 111.6(11) . .
C78A C11A C29A 119.5(14) . .
C29A C11A C29A 121.4(19) 6 .
C72A C12A C80A 87(10) 6 6
C72A C12A C29A 60(10) 6 .
C80A C12A C29A 105(2) 6 .
C72A C12A C78A 61(10) 6 6
C80A C12A C78A 115(3) 6 6
C72A C12A C50A 87(10) 6 .
C80A C12A C50A 120(2) 6 .
C29A C12A C50A 121.6(17) . .
C78A C12A C50A 113(2) 6 .
C72A C12A C28A 94(10) 6 .
C29A C12A C28A 123.0(18) . .
C78A C12A C28A 133(2) 6 .
C50A C12A C28A 103.9(15) . .
C49A C13A C66A 174(8) 6 6
C49A C13A C07A 76(5) 6 .
C66A C13A C07A 109(3) 6 .
C49A C13A C29A 49(5) 6 .
C66A C13A C29A 125(3) 6 .
C07A C13A C29A 118.2(16) . .
C49A C13A C14A 163(6) 6 .
C07A C13A C14A 115.6(16) . .
C29A C13A C14A 114.8(16) . .
C49A C13A C61A 47(6) 6 6
C66A C13A C61A 138(3) 6 6
C29A C13A C61A 88.0(16) . 6
C14A C13A C61A 142(2) . 6
C66A C13A C78A 131(4) 6 6
C07A C13A C78A 112.8(19) . 6
C14A C13A C78A 120.3(19) . 6
C61A C13A C78A 82(2) 6 6
C49A C13A C58A 149(6) 6 6
C07A C13A C58A 72.2(14) . 6
C29A C13A C58A 152(2) . 6
C61A C13A C58A 102.0(17) 6 6
C78A C13A C58A 155(3) 6 6
C49A C13A Tb1 105(8) 6 .
C66A C13A Tb1 75(3) 6 .
C07A C13A Tb1 68.3(14) . .
C29A C13A Tb1 97.2(16) . .
C14A C13A Tb1 71.6(15) . .
C61A C13A Tb1 75.7(15) 6 .
C78A C13A Tb1 97(2) 6 .
C58A C13A Tb1 61.5(12) 6 .
C66A C14A C75A 118(5) 6 6
C66A C14A C58A 67(4) 6 6
C75A C14A C58A 170(4) 6 6
C66A C14A C15A 109(4) 6 .
C75A C14A C15A 131(3) 6 .
C66A C14A C25A 136(4) 6 .
C58A C14A C25A 150(3) 6 .
C15A C14A C25A 110(3) . .
C75A C14A C13A 105(2) 6 .
C58A C14A C13A 78.9(19) 6 .
C15A C14A C13A 118.4(17) . .
C25A C14A C13A 120.9(18) . .
C66A C14A C81A 160(6) 6 6
C75A C14A C81A 51(2) 6 6
C58A C14A C81A 121(2) 6 6
C15A C14A C81A 80(2) . 6
C13A C14A C81A 145(2) . 6
C66A C14A Tb1 76(5) 6 .
C75A C14A Tb1 107(3) 6 .
C58A C14A Tb1 65.5(18) 6 .
C15A C14A Tb1 70.5(19) . .
C25A C14A Tb1 98(2) . .
C13A C14A Tb1 70.8(14) . .
C81A C14A Tb1 91.2(18) 6 .
C69A C15A C58A 128(5) 6 6
C69A C15A C14A 164(4) 6 .
C58A C15A C14A 68(2) 6 .
C69A C15A C56A 62(3) 6 6
C58A C15A C56A 164(5) 6 6
C14A C15A C56A 101(3) . 6
C58A C15A C16A 157(3) 6 .
C14A C15A C16A 130(3) . .
C69A C15A C05A 74(3) 6 .
C58A C15A C05A 56(2) 6 .
C14A C15A C05A 121.1(18) . .
C56A C15A C05A 129(2) 6 .
C16A C15A C05A 101.3(15) . .
C69A C15A C66A 172(5) 6 6
C58A C15A C66A 46(2) 6 6
C56A C15A C66A 122(3) 6 6
C16A C15A C66A 149(3) . 6
C05A C15A C66A 99.1(18) . 6
C58A C15A C59A 101(3) 6 6
C14A C15A C59A 158(3) . 6
C56A C15A C59A 85.4(17) 6 6
C16A C15A C59A 56.8(13) . 6
C66A C15A C59A 141(2) 6 6
C69A C15A Tb1 104(5) 6 .
C58A C15A Tb1 71(3) 6 .
C14A C15A Tb1 77(2) . .
C56A C15A Tb1 96(2) 6 .
C16A C15A Tb1 96(2) . .
C05A C15A Tb1 70.0(15) . .
C66A C15A Tb1 69.3(18) 6 .
C59A C15A Tb1 81.4(15) 6 .
C56A C16A C69A 93(4) 6 6
C56A C16A C23A 50(3) 6 .
C69A C16A C23A 143(4) 6 .
C56A C16A C53A 85(3) 6 6
C69A C16A C53A 172(5) 6 6
C56A C16A C17A 157(6) 6 .
C69A C16A C17A 92(2) 6 .
C23A C16A C17A 122(2) . .
C53A C16A C17A 88.1(19) 6 .
C56A C16A C15A 70(3) 6 .
C23A C16A C15A 120(3) . .
C53A C16A C15A 151(3) 6 .
C17A C16A C15A 109.5(17) . .
C56A C16A C59A 141(4) 6 6
C69A C16A C59A 55(2) 6 6
C23A C16A C59A 156(3) . 6
C53A C16A C59A 125(2) 6 6
C15A C16A C59A 73.9(15) . 6
C56A C16A C64A 126(4) 6 6
C69A C16A C64A 132(3) 6 6
C23A C16A C64A 80.7(18) . 6
C53A C16A C64A 46.9(15) 6 6
C15A C16A C64A 143(2) . 6
C59A C16A C64A 78.0(16) 6 6
C56A C16A C67A 151(5) 6 6
C69A C16A C67A 101(3) 6 6
C23A C16A C67A 113(2) . 6
C53A C16A C67A 78.6(17) 6 6
C15A C16A C67A 117.6(19) . 6
C59A C16A C67A 46.3(14) 6 6
C56A C16A Tb1 78(4) 6 .
C69A C16A Tb1 63(3) 6 .
C23A C16A Tb1 102(3) . .
C53A C16A Tb1 109(2) 6 .
C17A C16A Tb1 83.0(18) . .
C15A C16A Tb1 53.6(19) . .
C59A C16A Tb1 68.9(15) 6 .
C64A C16A Tb1 93.9(18) 6 .
C67A C16A Tb1 85.0(17) 6 .
C67A C17A C59A 133(6) 6 6
C67A C17A C64A 59(4) 6 6
C59A C17A C64A 162(4) 6 6
C59A C17A C18A 152(3) 6 .
C67A C17A C04A 100(5) 6 .
C64A C17A C04A 150(3) 6 .
C18A C17A C04A 118.8(18) . .
C67A C17A C16A 146(5) 6 .
C59A C17A C16A 80(2) 6 .
C64A C17A C16A 86.6(19) 6 .
C18A C17A C16A 123.7(18) . .
C04A C17A C16A 111.3(16) . .
C67A C17A C69A 171(7) 6 6
C59A C17A C69A 46.9(18) 6 6
C64A C17A C69A 119(2) 6 6
C18A C17A C69A 154(2) . 6
C04A C17A C69A 78.8(15) . 6
C67A C17A C53A 103(5) 6 6
C59A C17A C53A 123(2) 6 6
C18A C17A C53A 81.3(15) . 6
C04A C17A C53A 150(2) . 6
C69A C17A C53A 75.7(14) 6 6
C59A C17A C71A 113(3) 6 6
C64A C17A C71A 75(2) 6 6
C04A C17A C71A 79.8(15) . 6
C16A C17A C71A 154(3) . 6
C69A C17A C71A 152(2) 6 6
C53A C17A C71A 117.8(18) 6 6
C67A C18A C64A 86(4) 6 6
C67A C18A C21A 108(4) 6 .
C64A C18A C21A 151(4) 6 .
C64A C18A C17A 70(3) 6 .
C21A C18A C17A 122(2) . .
C67A C18A C71A 87(4) 6 6
C64A C18A C71A 158(5) 6 6
C17A C18A C71A 102(2) . 6
C67A C18A C51A 154(4) 6 6
C64A C18A C51A 72(3) 6 6
C21A C18A C51A 86.3(19) . 6
C17A C18A C51A 138(2) . 6
C71A C18A C51A 108(3) 6 6
C67A C18A C30A 128(4) 6 .
C21A C18A C30A 115.7(18) . .
C17A C18A C30A 110.8(16) . .
C71A C18A C30A 136(2) 6 .
C67A C18A C68A 129(5) 6 6
C64A C18A C68A 127(4) 6 6
C17A C18A C68A 138(2) . 6
C71A C18A C68A 46.9(19) 6 6
C51A C18A C68A 60.9(17) 6 6
C30A C18A C68A 89.8(15) . 6
C73A C19A C71A 103(4) 6 6
C71A C19A C03A 99(3) 6 .
C73A C19A C21A 118(4) 6 .
C03A C19A C21A 114.5(18) . .
C73A C19A C54A 80(3) 6 6
C71A C19A C54A 156(4) 6 6
C03A C19A C54A 82.9(16) . 6
C21A C19A C54A 144(2) . 6
C73A C19A C20A 118(4) 6 .
C71A C19A C20A 127(3) 6 .
C03A C19A C20A 120.0(16) . .
C21A C19A C20A 109.0(16) . .
C73A C19A C68A 139(5) 6 6
C71A C19A C68A 50(2) 6 6
C03A C19A C68A 135(2) . 6
C54A C19A C68A 113(2) 6 6
C20A C19A C68A 77.0(15) . 6
C54A C20A C54A 59(2) 6 .
C54A C20A C26A 145.2(16) 6 .
C54A C20A C26A 145.2(16) . .
C54A C20A C19A 54.5(11) 6 .
C54A C20A C19A 112.9(15) . .
C26A C20A C19A 92.8(9) . .
C54A C20A C19A 112.9(15) 6 6
C54A C20A C19A 54.5(11) . 6
C26A C20A C19A 92.8(9) . 6
C19A C20A C19A 157(2) . 6
C71A C21A C68A 147(8) 6 6
C71A C21A C18A 83(6) 6 .
C68A C21A C18A 122(3) 6 .
C68A C21A C19A 103(3) 6 .
C18A C21A C19A 124.8(18) . .
C71A C21A C36A 150(6) 6 .
C18A C21A C36A 125.7(17) . .
C19A C21A C36A 105.9(16) . .
C71A C21A C67A 58(6) 6 6
C68A C21A C67A 141(4) 6 6
C19A C21A C67A 98.9(19) . 6
C36A C21A C67A 150(2) . 6
C68A C21A C73A 117(3) 6 6
C18A C21A C73A 106.0(18) . 6
C36A C21A C73A 122.4(19) . 6
C67A C21A C73A 80.2(19) 6 6
C71A C21A C76A 168(9) 6 6
C18A C21A C76A 89.5(17) . 6
C19A C21A C76A 137(2) . 6
C67A C21A C76A 114(2) 6 6
C73A C21A C76A 146(3) 6 6
C71A C21A C64A 91(6) 6 6
C68A C21A C64A 112(3) 6 6
C19A C21A C64A 128.3(19) . 6
C36A C21A C64A 117.3(16) . 6
C73A C21A C64A 109.5(19) 6 6
C76A C21A C64A 80.9(16) 6 6
C71A C21A C51A 138(7) 6 6
C68A C21A C51A 67(3) 6 6
C18A C21A C51A 55.6(15) . 6
C19A C21A C51A 157(3) . 6
C36A C21A C51A 70.2(14) . 6
C67A C21A C51A 80.2(19) 6 6
C73A C21A C51A 147(2) 6 6
C64A C21A C51A 47.4(13) 6 6
C40A C22A C53A 122(4) 6 6
C40A C22A C30A 135(4) 6 .
C53A C22A C30A 102(3) 6 .
C40A C22A C65A 78(3) 6 6
C53A C22A C65A 157(3) 6 6
C30A C22A C65A 57.0(17) . 6
C53A C22A C41A 134(3) 6 .
C30A C22A C41A 119(2) . .
C65A C22A C41A 63.4(17) 6 .
C40A C22A C23A 94(3) 6 .
C30A C22A C23A 127(2) . .
C65A C22A C23A 161(3) 6 .
C41A C22A C23A 106.1(16) . .
C40A C22A C64A 163(6) 6 6
C53A C22A C64A 56.2(19) 6 6
C65A C22A C64A 101(2) 6 6
C41A C22A C64A 153(3) . 6
C23A C22A C64A 81.1(15) . 6
C53A C22A C63A 112(3) 6 6
C30A C22A C63A 140(2) . 6
C65A C22A C63A 86.0(19) 6 6
C23A C22A C63A 83.3(17) . 6
C64A C22A C63A 151(3) 6 6
C40A C22A C51A 127(4) 6 6
C53A C22A C51A 108(3) 6 6
C65A C22A C51A 49.9(14) 6 6
C41A C22A C51A 111.1(16) . 6
C23A C22A C51A 131.2(18) . 6
C64A C22A C51A 51.8(12) 6 6
C63A C22A C51A 131(2) 6 6
C53A C23A C56A 124(5) 6 6
C53A C23A C16A 85(3) 6 .
C53A C23A C24A 147(4) 6 .
C56A C23A C24A 82(3) 6 .
C16A C23A C24A 122(3) . .
C56A C23A C22A 149(4) 6 .
C16A C23A C22A 118.3(19) . .
C24A C23A C22A 109.9(18) . .
C53A C23A C81A 163(5) 6 6
C56A C23A C81A 54(2) 6 6
C16A C23A C81A 93(2) . 6
C22A C23A C81A 133(2) . 6
C53A C23A C40A 63(3) 6 6
C56A C23A C40A 153(4) 6 6
C16A C23A C40A 142(2) . 6
C24A C23A C40A 84.0(18) . 6
C81A C23A C40A 110(2) 6 6
C81A C24A C82A 106(4) 6 6
C81A C24A C33A 144(4) 6 .
C82A C24A C33A 48(2) 6 .
C81A C24A C23A 94(3) 6 .
C82A C24A C23A 154(3) 6 .
C33A C24A C23A 106.5(18) . .
C82A C24A C25A 79(2) 6 .
C33A C24A C25A 120.6(18) . .
C23A C24A C25A 119(3) . .
C81A C24A C56A 61(3) 6 6
C82A C24A C56A 159(4) 6 6
C33A C24A C56A 134(2) . 6
C25A C24A C56A 86(2) . 6
C81A C24A C63A 156(4) 6 6
C82A C24A C63A 69(3) 6 6
C23A C24A C63A 85.7(18) . 6
C25A C24A C63A 140(2) . 6
C56A C24A C63A 116(2) 6 6
C75A C25A C81A 131(6) 6 6
C75A C25A C80A 75(4) 6 6
C81A C25A C80A 151(4) 6 6
C81A C25A C14A 96(3) 6 .
C80A C25A C14A 104.8(19) 6 .
C75A C25A C24A 154(5) 6 .
C80A C25A C24A 129(2) 6 .
C14A C25A C24A 119(3) . .
C75A C25A C28A 91(4) 6 .
C81A C25A C28A 137(3) 6 .
C14A C25A C28A 121.6(17) . .
C24A C25A C28A 114.0(16) . .
C75A C25A C82A 172(5) 6 6
C81A C25A C82A 57(2) 6 6
C80A C25A C82A 97(2) 6 6
C14A C25A C82A 151(3) . 6
C28A C25A C82A 80.6(16) . 6
C75A C25A C55A 127(4) 6 6
C81A C25A C55A 102(3) 6 6
C80A C25A C55A 51.7(15) 6 6
C14A C25A C55A 151(2) . 6
C24A C25A C55A 78.5(14) . 6
C81A C25A C66A 109(3) 6 6
C80A C25A C66A 90.8(18) 6 6
C24A C25A C66A 131(3) . 6
C28A C25A C66A 107.5(16) . 6
C82A C25A C66A 158(3) 6 6
C55A C25A C66A 139(2) 6 6
C20A C26A C36A 124.1(12) . .
C20A C26A C36A 124.1(12) . 6
C36A C26A C36A 107(2) . 6
C20A C26A C68A 106.6(12) . 6
C36A C26A C68A 118.0(16) 6 6
C20A C26A C68A 106.6(12) . .
C36A C26A C68A 118.0(16) . .
C68A C26A C68A 122(3) 6 .
C02A C27A C02A 139(2) 6 .
C02A C27A C74A 120.7(15) . .
C02A C27A C74A 120.7(15) 6 6
C74A C27A C74A 99.4(19) . 6
C02A C27A C54A 81.7(12) 6 .
C02A C27A C54A 124.6(15) . .
C74A C27A C54A 105.1(12) . .
C74A C27A C54A 147.2(15) 6 .
C02A C27A C54A 124.6(15) 6 6
C02A C27A C54A 81.7(12) . 6
C74A C27A C54A 147.2(15) . 6
C74A C27A C54A 105.1(12) 6 6
C80A C28A C55A 139(7) 6 6
C80A C28A C31A 144(8) 6 .
C80A C28A C12A 59(5) 6 .
C55A C28A C12A 144(3) 6 .
C31A C28A C12A 110.1(18) . .
C80A C28A C72A 56(4) 6 6
C55A C28A C72A 140(4) 6 6
C31A C28A C72A 108(2) . 6
C80A C28A C25A 58(5) 6 .
C55A C28A C25A 85(2) 6 .
C31A C28A C25A 113.1(18) . .
C12A C28A C25A 115.3(16) . .
C72A C28A C25A 111(2) 6 .
C55A C28A C75A 106(3) 6 6
C31A C28A C75A 132(2) . 6
C12A C28A C75A 96.9(15) . 6
C72A C28A C75A 93.4(19) 6 6
C78A C29A C49A 122(9) 6 6
C78A C29A C72A 98(8) 6 6
C49A C29A C72A 137(4) 6 6
C78A C29A C12A 98(8) 6 .
C49A C29A C12A 139(3) 6 .
C78A C29A C13A 137(9) 6 .
C72A C29A C13A 122(3) 6 .
C12A C29A C13A 124.0(17) . .
C49A C29A C11A 101(2) 6 .
C72A C29A C11A 112(2) 6 .
C12A C29A C11A 114.5(15) . .
C13A C29A C11A 113.6(15) . .
C51A C30A C22A 160(4) 6 .
C51A C30A C64A 102(3) 6 6
C22A C30A C64A 91(2) . 6
C51A C30A C65A 88(3) 6 6
C22A C30A C65A 74.9(18) . 6
C64A C30A C65A 159(3) 6 6
C22A C30A C34A 124(2) . .
C64A C30A C34A 139(3) 6 .
C65A C30A C34A 49.7(16) 6 .
C51A C30A C53A 156(3) 6 6
C64A C30A C53A 55.6(17) 6 6
C65A C30A C53A 111(2) 6 6
C34A C30A C53A 158(2) . 6
C51A C30A C18A 75(2) 6 .
C22A C30A C18A 118.2(18) . .
C65A C30A C18A 158(2) 6 .
C34A C30A C18A 112.9(16) . .
C53A C30A C18A 82.6(15) 6 .
C51A C30A C40A 143(3) 6 6
C64A C30A C40A 108(2) 6 6
C65A C30A C40A 56.9(15) 6 6
C34A C30A C40A 106.0(18) . 6
C53A C30A C40A 53.8(12) 6 6
C18A C30A C40A 133.9(17) . 6
C22A C30A C76A 155(3) . 6
C64A C30A C76A 100(2) 6 6
C65A C30A C76A 88(2) 6 6
C53A C30A C76A 151(2) 6 6
C18A C30A C76A 73.8(13) . 6
C40A C30A C76A 139(2) 6 6
C60A C31A C55A 153(8) 6 6
C60A C31A C44A 80(4) 6 .
C55A C31A C44A 83(3) 6 .
C60A C31A C28A 152(5) 6 .
C55A C31A C28A 47(2) 6 .
C44A C31A C28A 127.7(17) . .
C60A C31A C46A 49(4) 6 .
C55A C31A C46A 154(3) 6 .
C44A C31A C46A 122.4(17) . .
C28A C31A C46A 107.2(15) . .
C60A C31A C79A 54(4) 6 6
C55A C31A C79A 111(3) 6 6
C28A C31A C79A 155(2) . 6
C46A C31A C79A 94.7(17) . 6
C60A C31A C80A 153(5) 6 6
C55A C31A C80A 50(2) 6 6
C44A C31A C80A 126.3(19) . 6
C46A C31A C80A 105.2(18) . 6
C79A C31A C80A 151(2) 6 6
C43A C32A C42A 166(5) . 6
C43A C32A C77A 92(4) . .
C42A C32A C77A 91(4) 6 .
C43A C32A C70A 132(3) . .
C77A C32A C70A 132(4) . .
C42A C32A C32A 141(2) 6 6
C77A C32A C32A 118(3) . 6
C70A C32A C32A 103.3(14) . 6
C43A C32A C39A 130(3) . 6
C77A C32A C39A 131(3) . 6
C32A C32A C39A 100.9(13) 6 6
C43A C32A C41A 149(4) . 6
C77A C32A C41A 61(2) . 6
C70A C32A C41A 72(2) . 6
C32A C32A C41A 154.5(14) 6 6
C39A C32A C41A 71.3(17) 6 6
C42A C32A C45A 139(4) 6 .
C77A C32A C45A 52(3) . .
C70A C32A C45A 158(2) . .
C32A C32A C45A 65.8(9) 6 .
C39A C32A C45A 152(2) 6 .
C41A C32A C45A 109.5(18) 6 .
C63A C33A C82A 153(6) 6 6
C63A C33A C24A 113(4) 6 .
C63A C33A C44A 122(5) 6 .
C82A C33A C44A 84(2) 6 .
C24A C33A C44A 123.0(18) . .
C82A C33A C41A 154(3) 6 .
C24A C33A C41A 111.7(17) . .
C44A C33A C41A 120(3) . .
C63A C33A C77A 69(4) 6 6
C82A C33A C77A 138(3) 6 6
C24A C33A C77A 167(3) . 6
C44A C33A C77A 53(2) . 6
C41A C33A C77A 67(2) . 6
C82A C33A C40A 127(3) 6 6
C24A C33A C40A 85.2(18) . 6
C44A C33A C40A 144(3) . 6
C77A C33A C40A 94(2) 6 6
C51A C34A C65A 107(4) 6 6
C65A C34A C30A 65(2) 6 .
C51A C34A C76A 61(3) 6 6
C65A C34A C76A 160(4) 6 6
C30A C34A C76A 102(2) . 6
C51A C34A C39A 154(5) 6 .
C65A C34A C39A 57(2) 6 .
C30A C34A C39A 119(2) . .
C76A C34A C39A 127(3) 6 .
C51A C34A C35A 85(3) 6 .
C65A C34A C35A 158(3) 6 .
C30A C34A C35A 125(2) . .
C39A C34A C35A 105.0(18) . .
C51A C34A C70A 150(4) 6 6
C65A C34A C70A 49.1(19) 6 6
C30A C34A C70A 112(2) . 6
C76A C34A C70A 134(3) 6 6
C35A C34A C70A 113(2) . 6
C51A C34A C37A 116(3) 6 .
C65A C34A C37A 127(3) 6 .
C30A C34A C37A 149(2) . .
C76A C34A C37A 56.6(19) 6 .
C39A C34A C37A 71.6(14) . .
C70A C34A C37A 79.4(17) 6 .
C76A C35A C37A 162(9) 6 .
C76A C35A C36A 53(3) 6 .
C37A C35A C36A 125.1(19) . .
C76A C35A C34A 72(4) 6 .
C37A C35A C34A 105.7(19) . .
C36A C35A C34A 124.6(18) . .
C37A C35A C51A 135(3) . 6
C36A C35A C51A 92.4(18) . 6
C37A C35A C68A 131(3) . 6
C34A C35A C68A 108(2) . 6
C51A C35A C68A 77(2) 6 6
C76A C35A C35A 142(5) 6 6
C36A C35A C35A 95.4(11) . 6
C34A C35A C35A 130.9(14) . 6
C51A C35A C35A 150.0(19) 6 6
C68A C35A C35A 102.5(16) 6 6
C76A C35A C38A 139(6) 6 .
C36A C35A C38A 152(2) . .
C34A C35A C38A 72.4(13) . .
C51A C35A C38A 102.4(18) 6 .
C68A C35A C38A 145(3) 6 .
C35A C35A C38A 60.7(7) 6 .
C68A C36A C76A 83(5) 6 6
C68A C36A C35A 100(5) 6 .
C68A C36A C26A 94(6) 6 .
C76A C36A C26A 137(3) 6 .
C35A C36A C26A 119.0(19) . .
C76A C36A C21A 91(3) 6 .
C35A C36A C21A 114.1(18) . .
C26A C36A C21A 106.2(17) . .
C76A C36A C71A 98(3) 6 6
C35A C36A C71A 121(2) . 6
C26A C36A C71A 99.4(19) . 6
C35A C37A C35A 120(3) 6 .
C35A C37A C38A 116.3(15) 6 .
C35A C37A C38A 116.3(15) . .
C35A C37A C76A 118.6(18) . .
C38A C37A C76A 114.7(12) . .
C35A C37A C76A 118.6(18) 6 6
C38A C37A C76A 114.7(12) . 6
C76A C37A C76A 116(2) . 6
C35A C37A C34A 152(3) . 6
C38A C37A C34A 75.3(8) . 6
C76A C37A C34A 146.6(18) 6 6
C35A C37A C34A 152(3) 6 .
C38A C37A C34A 75.3(8) . .
C76A C37A C34A 146.6(18) . .
C34A C37A C34A 141(2) 6 .
C35A C37A C39A 146(3) 6 .
C35A C37A C39A 79.0(14) . .
C76A C37A C39A 141.4(18) . .
C76A C37A C39A 77.7(11) 6 .
C34A C37A C39A 108.5(13) 6 .
C35A C37A C39A 79.0(14) 6 6
C35A C37A C39A 146(3) . 6
C76A C37A C39A 77.7(11) . 6
C76A C37A C39A 141.4(18) 6 6
C34A C37A C39A 108.5(13) . 6
C39A C37A C39A 71.8(14) . 6
C37A C38A C39A 106.6(13) . .
C37A C38A C39A 106.6(13) . 6
C39A C38A C39A 136(3) . 6
C37A C38A C70A 123.2(12) . 6
C39A C38A C70A 122.5(18) 6 6
C37A C38A C70A 123.2(12) . .
C39A C38A C70A 122.5(18) . .
C70A C38A C70A 108(2) 6 .
C39A C38A C35A 132(2) . 6
C39A C38A C35A 76.2(13) 6 6
C70A C38A C35A 147.0(19) 6 6
C70A C38A C35A 92.8(12) . 6
C39A C38A C35A 76.2(13) . .
C39A C38A C35A 132(2) 6 .
C70A C38A C35A 92.8(12) 6 .
C70A C38A C35A 147.0(19) . .
C35A C38A C35A 58.7(13) 6 .
C70A C39A C65A 97(7) 6 6
C70A C39A C38A 106(6) 6 .
C65A C39A C38A 156(3) 6 .
C70A C39A C34A 148(7) 6 .
C65A C39A C34A 51.7(19) 6 .
C38A C39A C34A 106.4(18) . .
C65A C39A C42A 68(2) 6 .
C38A C39A C42A 129(2) . .
C34A C39A C42A 119(2) . .
C65A C39A C32A 97(3) 6 6
C38A C39A C32A 100(2) . 6
C34A C39A C32A 145(3) . 6
C70A C39A C37A 142(7) 6 .
C65A C39A C37A 121(2) 6 .
C34A C39A C37A 70.3(13) . .
C42A C39A C37A 155(3) . .
C32A C39A C37A 132(2) 6 .
C41A C40A C22A 148(7) 6 6
C22A C40A C63A 158(5) 6 .
C41A C40A C65A 78(4) 6 .
C22A C40A C65A 72(3) 6 .
C63A C40A C65A 120(3) . .
C41A C40A C53A 162(6) 6 .
C63A C40A C53A 128(2) . .
C65A C40A C53A 104.3(16) . .
C41A C40A C33A 59(3) 6 6
C22A C40A C33A 139(4) 6 6
C65A C40A C33A 132(3) . 6
C53A C40A C33A 109.7(19) . 6
C41A C40A C23A 141(5) 6 6
C22A C40A C23A 59(3) 6 6
C63A C40A C23A 102(2) . 6
C65A C40A C23A 129(2) . 6
C33A C40A C23A 83.6(18) 6 6
C41A C40A C30A 122(4) 6 6
C63A C40A C30A 155(4) . 6
C65A C40A C30A 45.0(13) . 6
C53A C40A C30A 59.3(13) . 6
C33A C40A C30A 149(3) 6 6
C23A C40A C30A 84.6(17) 6 6
C22A C40A C42A 119(4) 6 6
C63A C40A C42A 71(3) . 6
C65A C40A C42A 49.0(18) . 6
C53A C40A C42A 146(2) . 6
C33A C40A C42A 86(2) 6 6
C23A C40A C42A 152(3) 6 6
C30A C40A C42A 91.9(19) 6 6
C63A C41A C40A 95(6) 6 6
C63A C41A C42A 130(5) 6 .
C40A C41A C42A 131(4) 6 .
C40A C41A C33A 94(3) 6 .
C42A C41A C33A 127(3) . .
C63A C41A C22A 108(4) 6 .
C42A C41A C22A 115.8(19) . .
C33A C41A C22A 105.5(17) . .
C63A C41A C65A 163(5) 6 6
C40A C41A C65A 72(3) 6 6
C42A C41A C65A 59.4(18) . 6
C33A C41A C65A 154(3) . 6
C22A C41A C65A 57.8(16) . 6
C63A C41A C77A 61(4) 6 6
C40A C41A C77A 153(5) 6 6
C42A C41A C77A 69(3) . 6
C33A C41A C77A 60(2) . 6
C22A C41A C77A 157(3) . 6
C65A C41A C77A 127(3) 6 6
C63A C41A C32A 106(4) 6 6
C40A C41A C32A 152(5) 6 6
C33A C41A C32A 103(2) . 6
C22A C41A C32A 136(2) . 6
C65A C41A C32A 83(2) 6 6
C63A C41A C70A 149(5) 6 6
C40A C41A C70A 111(3) 6 6
C33A C41A C70A 143(3) . 6
C22A C41A C70A 95.7(14) . 6
C77A C41A C70A 89(2) 6 6
C32A C42A C70A 99(4) 6 6
C32A C42A C41A 125(4) 6 .
C70A C42A C41A 135(3) 6 .
C32A C42A C39A 109(3) 6 .
C41A C42A C39A 122(2) . .
C32A C42A C65A 157(3) 6 6
C70A C42A C65A 61(2) 6 6
C41A C42A C65A 73.4(19) . 6
C39A C42A C65A 49.7(15) . 6
C32A C42A C77A 55(3) 6 6
C70A C42A C77A 153(3) 6 6
C41A C42A C77A 70(3) . 6
C39A C42A C77A 157(3) . 6
C65A C42A C77A 142(3) 6 6
C32A C42A C63A 106(3) 6 6
C70A C42A C63A 153(3) 6 6
C39A C42A C63A 139(2) . 6
C65A C42A C63A 92(2) 6 6
C77A C42A C63A 51(2) 6 6
C32A C42A C40A 142(4) 6 6
C70A C42A C40A 116(3) 6 6
C39A C42A C40A 103.6(18) . 6
C65A C42A C40A 54.8(17) 6 6
C77A C42A C40A 88(2) 6 6
C70A C42A C43A 96(3) 6 .
C41A C42A C43A 126(3) . .
C39A C42A C43A 105.4(15) . .
C65A C42A C43A 152(2) 6 .
C77A C42A C43A 56.6(19) 6 .
C63A C42A C43A 107(2) 6 .
C40A C42A C43A 141(2) 6 .
C32A C43A C32A 122(4) . 6
C32A C43A C45A 114(3) . .
C32A C43A C45A 114(3) 6 .
C32A C43A C77A 158(5) . 6
C32A C43A C77A 55(3) 6 6
C45A C43A C77A 60.2(19) . 6
C32A C43A C77A 55(3) . .
C32A C43A C77A 158(5) 6 .
C45A C43A C77A 60.2(19) . .
C77A C43A C77A 119(4) 6 .
C32A C43A C42A 118(2) 6 6
C45A C43A C42A 114.5(16) . 6
C77A C43A C42A 152(2) 6 6
C77A C43A C42A 56.6(19) . 6
C32A C43A C42A 118(2) . .
C45A C43A C42A 114.5(16) . .
C77A C43A C42A 56.6(19) 6 .
C77A C43A C42A 152(2) . .
C42A C43A C42A 112.6(18) 6 .
C79A C44A C31A 106(3) 6 .
C79A C44A C60A 82(3) 6 6
C79A C44A C77A 62(3) 6 6
C31A C44A C77A 160(3) . 6
C60A C44A C77A 143(3) 6 6
C79A C44A C33A 130(4) 6 .
C31A C44A C33A 118.5(19) . .
C60A C44A C33A 143(2) 6 .
C77A C44A C33A 69(3) 6 .
C79A C44A C55A 140(3) 6 6
C60A C44A C55A 57.8(19) 6 6
C77A C44A C55A 156(3) 6 6
C33A C44A C55A 87.5(18) . 6
C79A C44A C82A 167(5) 6 6
C31A C44A C82A 83.3(16) . 6
C60A C44A C82A 108(2) 6 6
C77A C44A C82A 107(3) 6 6
C55A C44A C82A 50.3(15) 6 6
C31A C44A C45A 109.5(15) . .
C60A C44A C45A 87.9(18) 6 .
C77A C44A C45A 55(2) 6 .
C33A C44A C45A 121(3) . .
C55A C44A C45A 142.8(18) 6 .
C82A C44A C45A 155(3) 6 .
C79A C44A C63A 112(4) 6 6
C31A C44A C63A 136(2) . 6
C60A C44A C63A 159(3) 6 6
C77A C44A C63A 50(2) 6 6
C55A C44A C63A 106(2) 6 6
C82A C44A C63A 56.4(16) 6 6
C45A C44A C63A 103(2) . 6
C79A C45A C79A 115(3) . 6
C79A C45A C43A 120(2) . .
C79A C45A C43A 120(2) 6 .
C79A C45A C77A 159(3) . 6
C79A C45A C77A 52(2) 6 6
C43A C45A C77A 69(2) . 6
C79A C45A C77A 52(2) . .
C79A C45A C77A 159(3) 6 .
C43A C45A C77A 69(2) . .
C77A C45A C77A 135(4) 6 .
C79A C45A C44A 118(2) . .
C43A C45A C44A 112.3(15) . .
C77A C45A C44A 153(2) . .
C79A C45A C44A 118(2) 6 6
C43A C45A C44A 112.3(15) . 6
C77A C45A C44A 153(2) 6 6
C44A C45A C44A 119.1(18) . 6
C79A C45A C32A 141(3) . 6
C79A C45A C32A 95(2) 6 6
C77A C45A C32A 92(3) . 6
C44A C45A C32A 87.1(14) . 6
C44A C45A C32A 130.9(19) 6 6
C79A C45A C32A 95(2) . .
C79A C45A C32A 141(3) 6 .
C77A C45A C32A 92(3) 6 .
C44A C45A C32A 130.9(19) . .
C44A C45A C32A 87.1(14) 6 .
C32A C45A C32A 48.3(19) 6 .
C60A C46A C60A 102(2) 6 .
C60A C46A C50A 125.9(14) 6 .
C60A C46A C50A 125.9(14) . .
C60A C46A C31A 119.3(16) 6 6
C50A C46A C31A 104.9(11) . 6
C60A C46A C31A 119.3(16) . .
C50A C46A C31A 104.9(11) . .
C31A C46A C31A 131(2) 6 .
C05A C47A C04A 105(4) 6 6
C05A C47A C48A 161(4) 6 .
C04A C47A C48A 81(3) 6 .
C05A C47A C59A 70(2) 6 .
C48A C47A C59A 115(3) . .
C04A C47A C57A 143(3) 6 .
C48A C47A C57A 127(2) . .
C59A C47A C57A 110.8(18) . .
C05A C47A C06A 61(2) 6 6
C04A C47A C06A 156(4) 6 6
C48A C47A C06A 107(2) . 6
C59A C47A C06A 129(2) . 6
C05A C47A C03A 151(4) 6 6
C04A C47A C03A 55(2) 6 6
C59A C47A C03A 89(2) . 6
C57A C47A C03A 146(2) . 6
C06A C47A C03A 128(2) 6 6
C05A C47A C01A 107(2) 6 6
C04A C47A C01A 135(3) 6 6
C48A C47A C01A 59.7(15) . 6
C59A C47A C01A 154(3) . 6
C57A C47A C01A 67.3(13) . 6
C06A C47A C01A 47.4(13) 6 6
C03A C47A C01A 82.7(15) 6 6
C05A C47A Tb1 64(3) 6 6
C04A C47A Tb1 95(3) 6 6
C48A C47A Tb1 97(2) . 6
C59A C47A Tb1 84.2(18) . 6
C57A C47A Tb1 61.6(19) . 6
C06A C47A Tb1 61.7(17) 6 6
C03A C47A Tb1 94.9(18) 6 6
C01A C47A Tb1 72.2(11) 6 6
C03A C48A C02A 100(4) 6 6
C03A C48A C47A 114(4) 6 .
C02A C48A C47A 134(3) 6 .
C03A C48A C04A 72(3) 6 6
C02A C48A C04A 154(4) 6 6
C02A C48A C73A 92(2) 6 .
C47A C48A C73A 123(3) . .
C04A C48A C73A 81(2) 6 .
C03A C48A C74A 119(3) 6 .
C47A C48A C74A 118.0(19) . .
C04A C48A C74A 152(3) 6 .
C73A C48A C74A 110.3(17) . .
C03A C48A C01A 148(4) 6 6
C02A C48A C01A 53.1(16) 6 6
C47A C48A C01A 83.0(16) . 6
C04A C48A C01A 122(2) 6 6
C73A C48A C01A 141(2) . 6
C13A C49A C29A 116(6) 6 6
C13A C49A C61A 119(7) 6 .
C29A C49A C61A 112(3) 6 .
C13A C49A C07A 85(6) 6 6
C29A C49A C07A 144(4) 6 6
C29A C49A C66A 112(2) 6 .
C61A C49A C66A 122(3) . .
C07A C49A C66A 88(2) 6 .
C13A C49A C78A 125(6) 6 .
C61A C49A C78A 104.6(18) . .
C07A C49A C78A 138(2) 6 .
C66A C49A C78A 120.6(18) . .
C13A C49A Tb1 66(8) 6 6
C29A C49A Tb1 98(3) 6 6
C61A C49A Tb1 74(2) . 6
C07A C49A Tb1 63.0(19) 6 6
C66A C49A Tb1 66(2) . 6
C78A C49A Tb1 99(2) . 6
C12A C50A C12A 125(2) 6 .
C12A C50A C72A 120.1(15) . .
C12A C50A C72A 120.1(15) 6 6
C72A C50A C72A 114(2) . 6
C12A C50A C46A 112.1(11) 6 .
C12A C50A C46A 112.1(11) . .
C72A C50A C46A 111.7(13) . .
C72A C50A C46A 111.7(13) 6 .
C34A C51A C30A 99(4) 6 6
C34A C51A C76A 81(3) 6 .
C30A C51A C76A 167(5) 6 .
C34A C51A C35A 63(3) 6 6
C30A C51A C35A 157(4) 6 6
C30A C51A C65A 57(2) 6 .
C76A C51A C65A 121(2) . .
C35A C51A C65A 103.4(17) 6 .
C34A C51A C64A 143(3) 6 .
C30A C51A C64A 46(2) 6 .
C76A C51A C64A 129(3) . .
C35A C51A C64A 144(3) 6 .
C65A C51A C64A 101.5(15) . .
C34A C51A C18A 168(5) 6 6
C30A C51A C18A 75(2) 6 6
C76A C51A C18A 103(3) . 6
C35A C51A C18A 120(2) 6 6
C65A C51A C18A 129.8(18) . 6
C34A C51A C68A 113(4) 6 .
C30A C51A C68A 138(4) 6 .
C35A C51A C68A 51.6(16) 6 .
C65A C51A C68A 145(2) . .
C64A C51A C68A 94(2) . .
C18A C51A C68A 68.2(17) 6 .
C34A C51A C22A 90(3) 6 6
C76A C51A C22A 158(3) . 6
C35A C51A C22A 146(2) 6 6
C65A C51A C22A 47.5(12) . 6
C64A C51A C22A 54.2(12) . 6
C18A C51A C22A 82.8(15) 6 6
C68A C51A C22A 140(2) . 6
C34A C51A C21A 143(4) 6 6
C30A C51A C21A 112(3) 6 6
C76A C51A C21A 64(2) . 6
C35A C51A C21A 81.8(18) 6 6
C65A C51A C21A 157(3) . 6
C64A C51A C21A 65.7(17) . 6
C22A C51A C21A 118.1(17) 6 6
C07A C52A C06A 97(3) 6 6
C07A C52A C08A 76(2) 6 6
C06A C52A C08A 167(4) 6 6
C06A C52A C61A 133(3) 6 .
C07A C52A C57A 82(2) 6 .
C08A C52A C57A 155(3) 6 .
C61A C52A C57A 118(2) . .
C07A C52A C62A 152(3) 6 .
C06A C52A C62A 103(2) 6 .
C08A C52A C62A 80.6(16) 6 .
C61A C52A C62A 118.1(18) . .
C57A C52A C62A 116.8(17) . .
C07A C52A C01A 162(3) 6 6
C06A C52A C01A 68.7(19) 6 6
C08A C52A C01A 116(2) 6 6
C61A C52A C01A 153(2) . 6
C57A C52A C01A 83.5(16) . 6
C07A C52A C09A 134(2) 6 6
C06A C52A C09A 126(2) 6 6
C08A C52A C09A 58.8(14) 6 6
C61A C52A C09A 97.4(16) . 6
C57A C52A C09A 139.9(18) . 6
C01A C52A C09A 57.5(12) 6 6
C07A C52A Tb1 77(2) 6 6
C06A C52A Tb1 75(2) 6 6
C08A C52A Tb1 93.0(18) 6 6
C61A C52A Tb1 83.8(18) . 6
C57A C52A Tb1 71(2) . 6
C62A C52A Tb1 89.3(16) . 6
C01A C52A Tb1 88.9(16) 6 6
C09A C52A Tb1 97.5(16) 6 6
C23A C53A C22A 115(4) 6 6
C23A C53A C16A 59(3) 6 6
C22A C53A C16A 156(4) 6 6
C23A C53A C64A 143(4) 6 .
C22A C53A C64A 87(3) 6 .
C16A C53A C64A 88(2) 6 .
C22A C53A C56A 137(3) 6 .
C64A C53A C56A 114.5(18) . .
C23A C53A C40A 90(3) 6 .
C16A C53A C40A 143(2) 6 .
C64A C53A C40A 110.8(18) . .
C56A C53A C40A 115.4(16) . .
C23A C53A C30A 150(4) 6 6
C16A C53A C30A 131(2) 6 6
C56A C53A C30A 147(2) . 6
C40A C53A C30A 66.9(14) . 6
C23A C53A C17A 107(3) 6 6
C22A C53A C17A 124(3) 6 6
C16A C53A C17A 49.0(15) 6 6
C56A C53A C17A 77.5(13) . 6
C40A C53A C17A 143(2) . 6
C30A C53A C17A 84.0(15) 6 6
C54A C54A C20A 60.3(10) 6 .
C54A C54A C19A 144.4(15) 6 6
C20A C54A C19A 86.0(17) . 6
C54A C54A C27A 67.6(8) 6 .
C20A C54A C27A 126.6(16) . .
C19A C54A C27A 139.4(19) 6 .
C54A C54A C73A 160.3(15) 6 .
C20A C54A C73A 111.4(16) . .
C27A C54A C73A 113.7(15) . .
C54A C54A C02A 112.5(9) 6 6
C20A C54A C02A 157(2) . 6
C19A C54A C02A 93.9(17) 6 6
C73A C54A C02A 67.6(13) . 6
C54A C54A C03A 153.6(10) 6 6
C20A C54A C03A 129.6(17) . 6
C19A C54A C03A 46.6(15) 6 6
C27A C54A C03A 93.7(12) . 6
C02A C54A C03A 47.4(11) 6 6
C31A C55A C28A 98(4) 6 6
C31A C55A C82A 133(4) 6 .
C28A C55A C82A 118(3) 6 .
C28A C55A C60A 107(3) 6 .
C82A C55A C60A 129(3) . .
C31A C55A C80A 104(3) 6 .
C82A C55A C80A 107.0(16) . .
C60A C55A C80A 114.5(17) . .
C31A C55A C44A 63(3) 6 6
C28A C55A C44A 156(3) 6 6
C82A C55A C44A 72(2) . 6
C60A C55A C44A 56.6(19) . 6
C80A C55A C44A 151(3) . 6
C31A C55A C25A 140(4) 6 6
C28A C55A C25A 59(2) 6 6
C82A C55A C25A 58.9(14) . 6
C60A C55A C25A 151(2) . 6
C80A C55A C25A 48.2(12) . 6
C44A C55A C25A 124(2) 6 6
C16A C56A C23A 90(4) 6 6
C16A C56A C69A 52(3) 6 .
C23A C56A C69A 142(3) 6 .
C16A C56A C81A 171(5) 6 .
C23A C56A C81A 95(3) 6 .
C69A C56A C81A 122.8(16) . .
C16A C56A C15A 80(3) 6 6
C23A C56A C15A 168(4) 6 6
C81A C56A C15A 93.4(17) . 6
C16A C56A C53A 65(3) 6 .
C69A C56A C53A 116.4(16) . .
C81A C56A C53A 118.7(16) . .
C15A C56A C53A 143(2) 6 .
C16A C56A C24A 153(4) 6 6
C23A C56A C24A 64(3) 6 6
C69A C56A C24A 153.1(19) . 6
C15A C56A C24A 124(2) 6 6
C53A C56A C24A 88.4(16) . 6
C16A C56A Tb1 87(4) 6 6
C23A C56A Tb1 117(3) 6 6
C69A C56A Tb1 66.2(17) . 6
C81A C56A Tb1 83.7(15) . 6
C15A C56A Tb1 55.3(18) 6 6
C53A C56A Tb1 107.6(17) . 6
C24A C56A Tb1 97.6(16) 6 6
C06A C57A C05A 128(6) 6 6
C06A C57A C58A 150(8) 6 .
C05A C57A C58A 68(2) 6 .
C06A C57A C47A 89(4) 6 .
C58A C57A C47A 108.1(19) . .
C05A C57A C52A 150(4) 6 .
C58A C57A C52A 120(3) . .
C47A C57A C52A 118.0(19) . .
C06A C57A C07A 70(5) 6 6
C05A C57A C07A 147(4) 6 6
C58A C57A C07A 84(2) . 6
C47A C57A C07A 150(3) . 6
C05A C57A C01A 109(3) 6 6
C58A C57A C01A 153(3) . 6
C47A C57A C01A 70.2(14) . 6
C52A C57A C01A 49.0(12) . 6
C07A C57A C01A 86.3(18) 6 6
C06A C57A Tb1 85(8) 6 6
C05A C57A Tb1 82(4) 6 6
C58A C57A Tb1 72(2) . 6
C47A C57A Tb1 86(2) . 6
C52A C57A Tb1 74(2) . 6
C07A C57A Tb1 70.9(18) 6 6
C01A C57A Tb1 80.6(15) 6 6
C15A C58A C66A 101(3) 6 .
C15A C58A C05A 86(3) 6 6
C66A C58A C05A 157(4) . 6
C15A C58A C57A 126(3) 6 .
C66A C58A C57A 124(3) . .
C15A C58A C14A 71(3) 6 6
C05A C58A C14A 150(3) 6 6
C57A C58A C14A 149(3) . 6
C66A C58A C69A 121.9(19) . .
C05A C58A C69A 65.2(16) 6 .
C57A C58A C69A 106.4(17) . .
C14A C58A C69A 92(2) 6 .
C15A C58A C06A 129(3) 6 6
C66A C58A C06A 116(3) . 6
C14A C58A C06A 141(3) 6 6
C69A C58A C06A 110.7(16) . 6
C15A C58A C13A 124(3) 6 6
C05A C58A C13A 134(2) 6 6
C57A C58A C13A 97(2) . 6
C14A C58A C13A 56.5(18) 6 6
C69A C58A C13A 143.5(19) . 6
C06A C58A C13A 89.5(16) 6 6
C15A C58A C07A 151(4) 6 6
C66A C58A C07A 69(2) . 6
C05A C58A C07A 93.9(19) 6 6
C57A C58A C07A 54.2(18) . 6
C14A C58A C07A 98(2) 6 6
C69A C58A C07A 150(2) . 6
C06A C58A C07A 47.3(12) 6 6
C15A C58A Tb1 85(3) 6 6
C66A C58A Tb1 80(2) . 6
C05A C58A Tb1 77.8(18) 6 6
C57A C58A Tb1 75(2) . 6
C14A C58A Tb1 82(2) 6 6
C69A C58A Tb1 86.9(15) . 6
C06A C58A Tb1 68.6(13) 6 6
C13A C58A Tb1 72.2(14) 6 6
C07A C58A Tb1 66.5(12) 6 6
C04A C59A C17A 101(4) 6 6
C04A C59A C69A 149(4) 6 .
C17A C59A C69A 100(2) 6 .
C17A C59A C47A 141(4) 6 .
C69A C59A C47A 108.5(18) . .
C04A C59A C05A 83(3) 6 6
C17A C59A C05A 156(4) 6 6
C69A C59A C05A 69.0(16) . 6
C04A C59A C67A 84(3) 6 .
C69A C59A C67A 116.6(18) . .
C47A C59A C67A 126(3) . .
C05A C59A C67A 156(3) 6 .
C04A C59A C16A 154(4) 6 6
C17A C59A C16A 63.0(19) 6 6
C47A C59A C16A 140(2) . 6
C05A C59A C16A 103.8(19) 6 6
C67A C59A C16A 79.8(16) . 6
C04A C59A C15A 134(3) 6 6
C17A C59A C15A 111(2) 6 6
C47A C59A C15A 93.5(16) . 6
C05A C59A C15A 54.8(13) 6 6
C67A C59A C15A 126.0(19) . 6
C16A C59A C15A 49.3(12) 6 6
C04A C59A Tb1 85(3) 6 6
C17A C59A Tb1 99(3) 6 6
C69A C59A Tb1 69.2(16) . 6
C47A C59A Tb1 67.6(17) . 6
C05A C59A Tb1 56.9(16) 6 6
C67A C59A Tb1 101.3(19) . 6
C16A C59A Tb1 78.2(17) 6 6
C15A C59A Tb1 57.2(13) 6 6
C31A C60A C46A 109(5) 6 .
C31A C60A C44A 75(5) 6 6
C46A C60A C44A 151(3) . 6
C46A C60A C55A 124(2) . .
C44A C60A C55A 66(2) 6 .
C31A C60A C79A 108(5) 6 .
C46A C60A C79A 125(2) . .
C55A C60A C79A 100(3) . .
C31A C60A C60A 138(6) 6 6
C44A C60A C60A 119.3(18) 6 6
C55A C60A C60A 153.3(14) . 6
C79A C60A C60A 87.5(14) . 6
C07A C61A C08A 110(4) 6 6
C07A C61A C49A 73(3) 6 .
C08A C61A C49A 162(4) 6 .
C08A C61A C52A 64(2) 6 .
C49A C61A C52A 116(2) . .
C07A C61A C10A 162(4) 6 .
C08A C61A C10A 60(2) 6 .
C49A C61A C10A 112.1(17) . .
C52A C61A C10A 122.1(17) . .
C07A C61A C13A 59(2) 6 6
C08A C61A C13A 156(4) 6 6
C52A C61A C13A 102(2) . 6
C10A C61A C13A 123.3(19) . 6
C07A C61A Tb1 63(3) 6 6
C08A C61A Tb1 89(3) 6 6
C49A C61A Tb1 76(2) . 6
C52A C61A Tb1 64.5(16) . 6
C10A C61A Tb1 100.4(16) . 6
C13A C61A Tb1 67.0(15) 6 6
C09A C62A C01A 156(6) 6 6
C01A C62A C09A 167(3) 6 .
C09A C62A C74A 148(4) 6 .
C09A C62A C74A 122.0(16) . .
C09A C62A C52A 92(3) 6 .
C01A C62A C52A 74(2) 6 .
C09A C62A C52A 118.6(16) . .
C74A C62A C52A 118.8(15) . .
C09A C62A C62A 53(3) 6 6
C01A C62A C62A 148(2) 6 6
C74A C62A C62A 101.8(11) . 6
C52A C62A C62A 135.9(11) . 6
C09A C62A C08A 48(3) 6 6
C01A C62A C08A 120(3) 6 6
C09A C62A C08A 72.6(13) . 6
C74A C62A C08A 163.0(19) . 6
C52A C62A C08A 46.0(12) . 6
C62A C62A C08A 91.0(10) 6 6
C09A C62A C02A 155(4) 6 6
C09A C62A C02A 125.6(17) . 6
C52A C62A C02A 113.0(16) . 6
C62A C62A C02A 104.1(10) 6 6
C08A C62A C02A 154(2) 6 6
C09A C62A C06A 123(3) 6 6
C09A C62A C06A 148.9(18) . 6
C74A C62A C06A 87.6(13) . 6
C62A C62A C06A 159.0(12) 6 6
C08A C62A C06A 76.7(12) 6 6
C02A C62A C06A 82.0(14) 6 6
C09A C62A Tb1 109(4) 6 6
C01A C62A Tb1 81(3) 6 6
C09A C62A Tb1 108(2) . 6
C74A C62A Tb1 94.3(17) . 6
C52A C62A Tb1 59.6(14) . 6
C62A C62A Tb1 103.6(5) 6 6
C08A C62A Tb1 71.5(11) 6 6
C02A C62A Tb1 83.9(14) 6 6
C06A C62A Tb1 56.5(11) 6 6
C33A C63A C41A 157(8) 6 6
C33A C63A C40A 131(5) 6 .
C33A C63A C77A 84(5) 6 .
C41A C63A C77A 92(5) 6 .
C40A C63A C77A 133(4) . .
C41A C63A C82A 155(4) 6 .
C40A C63A C82A 119(2) . .
C77A C63A C82A 100(3) . .
C33A C63A C42A 138(6) 6 6
C40A C63A C42A 72(2) . 6
C77A C63A C42A 62(2) . 6
C82A C63A C42A 150(3) . 6
C41A C63A C24A 128(4) 6 6
C40A C63A C24A 88(2) . 6
C77A C63A C24A 128(3) . 6
C42A C63A C24A 147(2) 6 6
C33A C63A C22A 123(5) 6 6
C41A C63A C22A 49(3) 6 6
C77A C63A C22A 136(3) . 6
C82A C63A C22A 110.7(18) . 6
C42A C63A C22A 76.5(18) 6 6
C24A C63A C22A 80.7(18) 6 6
C41A C63A C44A 133(5) 6 6
C40A C63A C44A 154(3) . 6
C82A C63A C44A 54.8(16) . 6
C42A C63A C44A 103(2) 6 6
C24A C63A C44A 83.5(17) 6 6
C22A C63A C44A 147(2) 6 6
C18A C64A C30A 111(3) 6 6
C67A C64A C30A 155(4) . 6
C18A C64A C17A 73(3) 6 6
C30A C64A C17A 168(4) 6 6
C18A C64A C53A 170(3) 6 .
C67A C64A C53A 125(2) . .
C30A C64A C53A 79(2) 6 .
C17A C64A C53A 97(2) 6 .
C18A C64A C51A 79(3) 6 .
C67A C64A C51A 123(3) . .
C17A C64A C51A 148(3) 6 .
C53A C64A C51A 110.5(17) . .
C18A C64A C22A 153(4) 6 6
C67A C64A C22A 158(3) . 6
C17A C64A C22A 131(2) 6 6
C51A C64A C22A 74.0(16) . 6
C18A C64A C16A 125(3) 6 6
C67A C64A C16A 79.9(19) . 6
C30A C64A C16A 122(2) 6 6
C17A C64A C16A 51.9(15) 6 6
C51A C64A C16A 149(2) . 6
C22A C64A C16A 79.6(16) 6 6
C67A C64A C21A 56(2) . 6
C30A C64A C21A 99(2) 6 6
C17A C64A C21A 82(2) 6 6
C53A C64A C21A 166(3) . 6
C51A C64A C21A 66.9(16) . 6
C22A C64A C21A 138(2) 6 6
C16A C64A C21A 131(2) 6 6
C34A C65A C39A 72(3) 6 6
C34A C65A C70A 91(2) 6 .
C34A C65A C30A 65(2) 6 6
C39A C65A C30A 133(3) 6 6
C70A C65A C30A 151(3) . 6
C34A C65A C42A 132(3) 6 6
C39A C65A C42A 62(2) 6 6
C30A C65A C42A 147(3) 6 6
C34A C65A C22A 113(3) 6 6
C39A C65A C22A 156(4) 6 6
C70A C65A C22A 147(3) . 6
C30A C65A C22A 48.1(17) 6 6
C42A C65A C22A 105(2) 6 6
C34A C65A C40A 142(3) 6 .
C39A C65A C40A 136(3) 6 .
C70A C65A C40A 120(3) . .
C30A C65A C40A 78.0(18) 6 .
C42A C65A C40A 76(2) 6 .
C39A C65A C51A 100(2) 6 .
C70A C65A C51A 119.3(19) . .
C42A C65A C51A 151(3) 6 .
C22A C65A C51A 82.5(18) 6 .
C40A C65A C51A 111.9(17) . .
C34A C65A C41A 160(4) 6 6
C39A C65A C41A 109(3) 6 6
C70A C65A C41A 91(3) . 6
C30A C65A C41A 106(2) 6 6
C42A C65A C41A 47.2(17) 6 6
C22A C65A C41A 58.9(19) 6 6
C51A C65A C41A 137(2) . 6
C14A C66A C13A 154(7) 6 6
C14A C66A C58A 82(4) 6 .
C13A C66A C58A 116(4) 6 .
C14A C66A C49A 152(5) 6 .
C58A C66A C49A 118(3) . .
C13A C66A C75A 119(3) 6 .
C58A C66A C75A 119.2(19) . .
C49A C66A C75A 117.2(18) . .
C14A C66A C15A 49(3) 6 6
C13A C66A C15A 144(4) 6 6
C49A C66A C15A 145(3) . 6
C75A C66A C15A 85.7(17) . 6
C14A C66A C07A 148(6) 6 6
C58A C66A C07A 73(2) . 6
C75A C66A C07A 152(2) . 6
C15A C66A C07A 103(2) 6 6
C13A C66A C25A 124(3) 6 6
C58A C66A C25A 109.8(19) . 6
C49A C66A C25A 122.2(19) . 6
C15A C66A C25A 76.4(17) 6 6
C07A C66A C25A 148(3) 6 6
C14A C66A Tb1 88(5) 6 6
C13A C66A Tb1 82(3) 6 6
C58A C66A Tb1 69(2) . 6
C49A C66A Tb1 82(2) . 6
C75A C66A Tb1 95.7(18) . 6
C15A C66A Tb1 68.8(17) 6 6
C07A C66A Tb1 64.3(14) 6 6
C25A C66A Tb1 86.5(17) 6 6
C17A C67A C18A 141(7) 6 6
C17A C67A C64A 93(5) 6 .
C18A C67A C64A 49(3) 6 .
C17A C67A C71A 149(7) 6 .
C18A C67A C71A 61(3) 6 .
C64A C67A C71A 107(3) . .
C18A C67A C59A 165(5) 6 .
C64A C67A C59A 121(2) . .
C71A C67A C59A 122(3) . .
C17A C67A C04A 59(4) 6 6
C18A C67A C04A 151(6) 6 6
C64A C67A C04A 145(3) . 6
C71A C67A C04A 93(3) . 6
C17A C67A C21A 158(8) 6 6
C18A C67A C21A 46(3) 6 6
C64A C67A C21A 91(3) . 6
C59A C67A C21A 136(3) . 6
C04A C67A C21A 108(3) 6 6
C18A C67A C16A 116(4) 6 6
C64A C67A C16A 68.1(18) . 6
C71A C67A C16A 156(3) . 6
C59A C67A C16A 53.9(13) . 6
C04A C67A C16A 81.6(16) 6 6
C21A C67A C16A 149(3) 6 6
C36A C68A C21A 138(7) 6 6
C36A C68A C76A 70(4) 6 .
C21A C68A C76A 115(4) 6 .
C36A C68A C71A 141(6) 6 .
C76A C68A C71A 124(3) . .
C36A C68A C26A 66(5) 6 .
C21A C68A C26A 126(3) 6 .
C76A C68A C26A 119(2) . .
C71A C68A C26A 116.1(19) . .
C36A C68A C35A 60(4) 6 6
C21A C68A C35A 133(4) 6 6
C71A C68A C35A 142(3) . 6
C26A C68A C35A 101.1(19) . 6
C36A C68A C51A 102(5) 6 .
C21A C68A C51A 82(3) 6 .
C71A C68A C51A 91(2) . .
C26A C68A C51A 150(2) . .
C35A C68A C51A 51.5(16) 6 .
C36A C68A C19A 129(6) 6 6
C76A C68A C19A 158(3) . 6
C26A C68A C19A 81.5(16) . 6
C35A C68A C19A 170(3) 6 6
C51A C68A C19A 124(2) . 6
C36A C68A C18A 139(6) 6 6
C76A C68A C18A 85(2) . 6
C26A C68A C18A 153.2(19) . 6
C35A C68A C18A 102(2) 6 6
C51A C68A C18A 50.9(13) . 6
C19A C68A C18A 73.3(14) 6 6
C15A C69A C16A 123(5) 6 6
C15A C69A C56A 88(4) 6 .
C15A C69A C59A 133(4) 6 .
C16A C69A C59A 88(2) 6 .
C56A C69A C59A 121(2) . .
C16A C69A C58A 149(4) 6 .
C56A C69A C58A 117.5(18) . .
C59A C69A C58A 106.1(16) . .
C15A C69A C05A 80(3) 6 6
C16A C69A C05A 139(3) 6 6
C56A C69A C05A 150(3) . 6
C59A C69A C05A 55.6(14) . 6
C58A C69A C05A 50.9(13) . 6
C15A C69A C17A 148(6) 6 6
C16A C69A C17A 55.3(18) 6 6
C56A C69A C17A 89.0(16) . 6
C58A C69A C17A 134(2) . 6
C05A C69A C17A 86.8(17) 6 6
C15A C69A Tb1 61(4) 6 6
C16A C69A Tb1 98(3) 6 6
C56A C69A Tb1 88.1(19) . 6
C59A C69A Tb1 82.7(18) . 6
C58A C69A Tb1 58.8(14) . 6
C05A C69A Tb1 62.3(15) 6 6
C17A C69A Tb1 87.4(16) 6 6
C39A C70A C42A 133(10) 6 6
C39A C70A C65A 64(6) 6 .
C42A C70A C65A 75(3) 6 .
C39A C70A C38A 58(6) 6 .
C42A C70A C38A 146(4) 6 .
C65A C70A C38A 121(2) . .
C39A C70A C32A 151(10) 6 .
C65A C70A C32A 114(3) . .
C38A C70A C32A 112.7(18) . .
C42A C70A C34A 113(4) 6 6
C38A C70A C34A 82.0(18) . 6
C32A C70A C34A 146(3) . 6
C39A C70A C41A 110(8) 6 6
C65A C70A C41A 50(2) . 6
C38A C70A C41A 152(3) . 6
C32A C70A C41A 64(2) . 6
C34A C70A C41A 89(2) 6 6
C21A C71A C19A 117(7) 6 6
C21A C71A C18A 75(6) 6 6
C19A C71A C18A 157(4) 6 6
C21A C71A C73A 140(7) 6 .
C18A C71A C73A 132(3) 6 .
C19A C71A C68A 95(3) 6 .
C18A C71A C68A 93(3) 6 .
C73A C71A C68A 117(2) . .
C21A C71A C67A 106(7) 6 .
C19A C71A C67A 130(3) 6 .
C73A C71A C67A 102(3) . .
C68A C71A C67A 121(3) . .
C21A C71A C03A 150(8) 6 6
C18A C71A C03A 114(3) 6 6
C68A C71A C03A 130(2) . 6
C67A C71A C03A 84(2) . 6
C19A C71A C36A 95(3) 6 6
C18A C71A C36A 97(2) 6 6
C73A C71A C36A 120(2) . 6
C67A C71A C36A 127(3) . 6
C03A C71A C36A 134(2) 6 6
C21A C71A C17A 112(7) 6 6
C19A C71A C17A 121(3) 6 6
C73A C71A C17A 94(2) . 6
C68A C71A C17A 125(3) . 6
C03A C71A C17A 76.0(15) 6 6
C36A C71A C17A 132(2) 6 6
C12A C72A C29A 113(10) 6 6
C12A C72A C80A 84(10) 6 .
C29A C72A C80A 110(2) 6 .
C12A C72A C78A 112(10) 6 .
C80A C72A C78A 121.0(17) . .
C12A C72A C50A 85(10) 6 .
C29A C72A C50A 129(2) 6 .
C80A C72A C50A 119.6(17) . .
C78A C72A C50A 118.1(16) . .
C12A C72A C28A 78(9) 6 6
C29A C72A C28A 128(3) 6 6
C78A C72A C28A 139(2) . 6
C50A C72A C28A 102(2) . 6
C19A C73A C03A 172(8) 6 6
C19A C73A C71A 50(3) 6 .
C03A C73A C71A 123(4) 6 .
C19A C73A C48A 174(5) 6 .
C71A C73A C48A 133(3) . .
C19A C73A C54A 74(3) 6 .
C03A C73A C54A 112(4) 6 .
C71A C73A C54A 119.1(17) . .
C48A C73A C54A 101.6(16) . .
C03A C73A C21A 130(5) 6 6
C48A C73A C21A 139(3) . 6
C54A C73A C21A 109.5(17) . 6
C19A C73A C02A 138(4) 6 6
C03A C73A C02A 47(3) 6 6
C71A C73A C02A 155(3) . 6
C54A C73A C02A 65.5(14) . 6
C21A C73A C02A 151(3) 6 6
C19A C73A C04A 135(4) 6 6
C71A C73A C04A 85(2) . 6
C48A C73A C04A 48.1(15) . 6
C54A C73A C04A 145(2) . 6
C21A C73A C04A 92.3(18) 6 6
C02A C73A C04A 82.0(13) 6 6
C02A C74A C01A 121(5) 6 6
C02A C74A C62A 143(6) 6 .
C02A C74A C27A 70(4) 6 .
C01A C74A C27A 155(3) 6 .
C62A C74A C27A 117.1(18) . .
C01A C74A C48A 85(2) 6 .
C62A C74A C48A 119.7(18) . .
C27A C74A C48A 108.8(15) . .
C02A C74A C09A 150(6) 6 6
C27A C74A C09A 110.0(17) . 6
C48A C74A C09A 129.4(17) . 6
C01A C74A C03A 103(2) 6 6
C62A C74A C03A 132(2) . 6
C27A C74A C03A 88.2(14) . 6
C09A C74A C03A 141.1(19) 6 6
C25A C75A C14A 122(5) 6 6
C14A C75A C81A 94(3) 6 .
C25A C75A C80A 79(4) 6 .
C14A C75A C80A 140(3) 6 .
C81A C75A C80A 108.0(18) . .
C25A C75A C66A 142(6) 6 .
C81A C75A C66A 117.2(17) . .
C80A C75A C66A 118.4(17) . .
C25A C75A C28A 68(4) 6 6
C14A C75A C28A 150(3) 6 6
C81A C75A C28A 97.1(17) . 6
C66A C75A C28A 130.3(19) . 6
C25A C75A Tb1 92(6) 6 6
C14A C75A Tb1 54(3) 6 6
C81A C75A Tb1 82.4(15) . 6
C80A C75A Tb1 95.4(17) . 6
C66A C75A Tb1 54.7(17) . 6
C28A C75A Tb1 100.1(18) 6 6
C35A C76A C36A 103(4) 6 6
C35A C76A C51A 123(4) 6 .
C36A C76A C51A 134(4) 6 .
C35A C76A C68A 121(4) 6 .
C51A C76A C68A 111(4) . .
C35A C76A C34A 84(4) 6 6
C36A C76A C34A 171(4) 6 6
C68A C76A C34A 145(4) . 6
C36A C76A C37A 103(2) 6 .
C51A C76A C37A 120(2) . .
C68A C76A C37A 117(2) . .
C34A C76A C37A 83(2) 6 .
C35A C76A C21A 152(5) 6 6
C36A C76A C21A 52.5(19) 6 6
C51A C76A C21A 82(3) . 6
C34A C76A C21A 119(3) 6 6
C37A C76A C21A 145(2) . 6
C35A C76A C30A 122(4) 6 6
C36A C76A C30A 133(3) 6 6
C68A C76A C30A 108(3) . 6
C37A C76A C30A 118.5(16) . 6
C21A C76A C30A 80.4(17) 6 6
C79A C77A C32A 125(5) . .
C44A C77A C32A 151(3) 6 .
C79A C77A C63A 123(4) . .
C44A C77A C63A 85(3) 6 .
C32A C77A C63A 101(4) . .
C44A C77A C45A 80(3) 6 .
C32A C77A C45A 84(3) . .
C63A C77A C45A 154(3) . .
C79A C77A C33A 96(3) . 6
C44A C77A C33A 58(2) 6 6
C32A C77A C33A 124(4) . 6
C45A C77A C33A 133(3) . 6
C79A C77A C43A 93(4) . .
C44A C77A C43A 128(3) 6 .
C63A C77A C43A 132(3) . .
C45A C77A C43A 51(2) . .
C33A C77A C43A 148(3) 6 .
C79A C77A C42A 150(3) . 6
C44A C77A C42A 142(3) 6 6
C63A C77A C42A 67(2) . 6
C45A C77A C42A 116(3) . 6
C33A C77A C42A 92(3) 6 6
C43A C77A C42A 67(2) . 6
C79A C77A C41A 145(4) . 6
C44A C77A C41A 109(3) 6 6
C32A C77A C41A 75(3) . 6
C45A C77A C41A 149(3) . 6
C33A C77A C41A 53(2) 6 6
C43A C77A C41A 107(3) . 6
C29A C78A C72A 71(8) 6 .
C29A C78A C11A 148(10) 6 .
C72A C78A C11A 123(2) . .
C29A C78A C49A 49(8) 6 .
C72A C78A C49A 118.2(19) . .
C11A C78A C49A 104.7(16) . .
C29A C78A C12A 72(8) 6 6
C11A C78A C12A 126(2) . 6
C49A C78A C12A 121(2) . 6
C72A C78A C13A 106(2) . 6
C11A C78A C13A 115(2) . 6
C12A C78A C13A 108(2) 6 6
C44A C79A C45A 157(5) 6 .
C44A C79A C77A 79(4) 6 .
C45A C79A C77A 86(3) . .
C44A C79A C60A 63(3) 6 .
C45A C79A C60A 125(2) . .
C77A C79A C60A 142(4) . .
C44A C79A C79A 148(2) 6 6
C77A C79A C79A 117(3) . 6
C60A C79A C79A 92.5(14) . 6
C45A C79A C31A 137(3) . 6
C77A C79A C31A 124(3) . 6
C79A C79A C31A 106.2(14) 6 6
C28A C80A C12A 103(6) 6 6
C28A C80A C72A 106(5) 6 .
C28A C80A C75A 129(5) 6 .
C12A C80A C75A 128(2) 6 .
C72A C80A C75A 123.0(17) . .
C28A C80A C25A 106(5) 6 6
C12A C80A C25A 149(3) 6 6
C72A C80A C25A 142(3) . 6
C12A C80A C55A 123(2) 6 .
C72A C80A C55A 122.8(18) . .
C75A C80A C55A 105.4(15) . .
C25A C80A C55A 80.1(18) 6 .
C12A C80A C31A 98(2) 6 6
C72A C80A C31A 97.1(17) . 6
C75A C80A C31A 126.5(19) . 6
C25A C80A C31A 102(2) 6 6
C24A C81A C25A 130(5) 6 6
C24A C81A C56A 89(3) 6 .
C25A C81A C56A 138(3) 6 .
C24A C81A C75A 150(3) 6 .
C56A C81A C75A 119.7(15) . .
C25A C81A C82A 90(3) 6 .
C56A C81A C82A 126.9(16) . .
C75A C81A C82A 109.6(16) . .
C24A C81A C23A 57(3) 6 6
C25A C81A C23A 164(4) 6 6
C75A C81A C23A 149.9(18) . 6
C82A C81A C23A 96.5(16) . 6
C24A C81A C14A 168(4) 6 6
C25A C81A C14A 54(3) 6 6
C56A C81A C14A 85.2(15) . 6
C82A C81A C14A 141.1(19) . 6
C23A C81A C14A 115.8(18) 6 6
C24A C82A C33A 90(3) 6 6
C24A C82A C55A 141(3) 6 .
C33A C82A C55A 114(3) 6 .
C33A C82A C81A 119(3) 6 .
C55A C82A C81A 108.1(17) . .
C24A C82A C25A 67(2) 6 6
C33A C82A C25A 143(3) 6 6
C55A C82A C25A 76.0(16) . 6
C24A C82A C44A 142(3) 6 6
C33A C82A C44A 58(2) 6 6
C55A C82A C44A 57.2(18) . 6
C81A C82A C44A 146(2) . 6
C25A C82A C44A 126(2) 6 6
C24A C82A C63A 80(2) 6 .
C55A C82A C63A 125(2) . .
C81A C82A C63A 111.0(15) . .
C25A C82A C63A 139(2) 6 .
C44A C82A C63A 68.8(19) 6 .
N3P Ni1P N2P 177.3(4) . .
N3P Ni1P N1P 89.96(19) . .
N2P Ni1P N1P 89.97(19) . .
N3P Ni1P N1P 89.96(19) . 6
N2P Ni1P N1P 89.97(19) . 6
N1P Ni1P N1P 177.2(4) . 6
C04P N1P C09P 106.0(7) . .
C04P N1P Ni1P 126.9(6) . .
C09P N1P Ni1P 127.0(5) . .
C07P N2P C07P 105.5(9) 6 .
C07P N2P Ni1P 127.2(5) 6 .
C07P N2P Ni1P 127.2(5) . .
C01P N3P C01P 104.0(9) . 6
C01P N3P Ni1P 127.9(5) . .
C01P N3P Ni1P 127.9(5) 6 .
N3P C01P C03P 125.5(7) . .
N3P C01P C02P 112.0(8) . .
C03P C01P C02P 122.5(8) . .
C02P C02P C01P 106.0(5) 6 .
C02P C02P C17P 128.9(5) 6 .
C01P C02P C17P 125.0(8) . .
C04P C03P C01P 122.6(8) . .
C04P C03P H03P 118.7 . .
C01P C03P H03P 118.7 . .
N1P C04P C03P 127.1(8) . .
N1P C04P C10P 110.8(7) . .
C03P C04P C10P 122.2(8) . .
C10P C05P C09P 105.9(7) . .
C10P C05P C13P 128.5(8) . .
C09P C05P C13P 125.5(7) . .
C06P C06P C07P 106.8(5) 6 .
C06P C06P C15P 129.3(5) 6 .
C07P C06P C15P 123.7(8) . .
C08P C07P N2P 126.2(7) . .
C08P C07P C06P 123.3(8) . .
N2P C07P C06P 110.5(7) . .
C07P C08P C09P 123.5(8) . 6
C07P C08P H08P 118.3 . .
C09P C08P H08P 118.3 6 .
N1P C09P C08P 126.1(7) . 6
N1P C09P C05P 111.5(7) . .
C08P C09P C05P 122.4(7) 6 .
C05P C10P C04P 105.8(7) . .
C05P C10P C11P 130.3(8) . .
C04P C10P C11P 123.8(7) . .
C10P C11P C12P 114.6(8) . .
C10P C11P H11A 108.6 . .
C12P C11P H11A 108.6 . .
C10P C11P H11B 108.6 . .
C12P C11P H11B 108.6 . .
H11A C11P H11B 107.6 . .
C11P C12P H12A 109.5 . .
C11P C12P H12B 109.5 . .
H12A C12P H12B 109.5 . .
C11P C12P H12C 109.5 . .
H12A C12P H12C 109.5 . .
H12B C12P H12C 109.5 . .
C05P C13P C14P 113.8(7) . .
C05P C13P H13A 108.8 . .
C14P C13P H13A 108.8 . .
C05P C13P H13B 108.8 . .
C14P C13P H13B 108.8 . .
H13A C13P H13B 107.7 . .
C13P C14P H14A 109.5 . .
C13P C14P H14B 109.5 . .
H14A C14P H14B 109.5 . .
C13P C14P H14C 109.5 . .
H14A C14P H14C 109.5 . .
H14B C14P H14C 109.5 . .
C06P C15P C16P 111.6(7) . .
C06P C15P H15A 109.3 . .
C16P C15P H15A 109.3 . .
C06P C15P H15B 109.3 . .
C16P C15P H15B 109.3 . .
H15A C15P H15B 108.0 . .
C15P C16P H16A 109.5 . .
C15P C16P H16B 109.5 . .
H16A C16P H16B 109.5 . .
C15P C16P H16C 109.5 . .
H16A C16P H16C 109.5 . .
H16B C16P H16C 109.5 . .
C02P C17P C18P 112.9(7) . .
C02P C17P H17A 109.0 . .
C18P C17P H17A 109.0 . .
C02P C17P H17B 109.0 . .
C18P C17P H17B 109.0 . .
H17A C17P H17B 107.8 . .
C17P C18P H18A 109.5 . .
C17P C18P H18B 109.5 . .
H18A C18P H18B 109.5 . .
C17P C18P H18C 109.5 . .
H18A C18P H18C 109.5 . .
H18B C18P H18C 109.5 . .
C02S C01S C06S 121.4(16) . .
C02S C01S H01S 119.3 . .
C06S C01S H01S 119.3 . .
C01S C02S C03S 121.2(16) . .
C01S C02S H02S 119.4 . .
C03S C02S H02S 119.4 . .
C02S C03S C04S 118.2(15) . .
C02S C03S H03S 120.9 . .
C04S C03S H03S 120.9 . .
C05S C04S C03S 120.5(13) . .
C05S C04S H04S 119.8 . .
C03S C04S H04S 119.8 . .
C06S C05S C04S 120.4(15) . .
C06S C05S H05S 119.8 . .
C04S C05S H05S 119.8 . .
C05S C06S C01S 118.4(17) . .
C05S C06S H06S 120.8 . .
C01S C06S H06S 120.8 . .
C08S C07S C12S 120.0 . .
C08S C07S H07S 120.0 . .
C12S C07S H07S 120.0 . .
C07S C08S C09S 120.0 . .
C07S C08S H08S 120.0 . .
C09S C08S H08S 120.0 . .
C08S C09S C10S 120.0 . .
C08S C09S H09S 120.0 . .
C10S C09S H09S 120.0 . .
C11S C10S C09S 120.0 . .
C11S C10S H10S 120.0 . .
C09S C10S H10S 120.0 . .
C10S C11S C12S 120.0 . .
C10S C11S H11S 120.0 . .
C12S C11S H11S 120.0 . .
C11S C12S C07S 120.0 . .
C11S C12S H12S 120.0 . .
C07S C12S H12S 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 C83 1.98(4) .
Tb1 C58A 2.32(3) 6
Tb1 C57A 2.35(4) 6
Tb1 C06A 2.36(3) .
Tb1 N1 2.37(3) .
Tb1 C07A 2.38(3) .
Tb1 C52A 2.40(3) 6
Tb1 C05A 2.41(3) .
Tb1 C15A 2.44(4) .
Tb1 C66A 2.45(4) 6
Tb1 C13A 2.51(3) .
Tb1 C14A 2.52(3) .
N1 C83 1.05(4) .
N1 Tb1 2.37(3) 6
C83 Tb1 1.97(4) 6
Tb2 Tb2 2.33(3) 6
Tb3 Tb3 3.69(2) 6
Tb4 Tb4 3.46(5) 6
Tb5 Tb5 3.68(7) 6
Tb6 Tb6 3.04(4) 6
Tb7 Tb7 1.69(12) 6
C01A C62A 0.88(3) 6
C01A C74A 0.99(3) 6
C01A C02A 1.37(3) .
C01A C06A 1.46(3) .
C01A C52A 1.47(3) 6
C01A C09A 1.47(2) .
C02A C48A 1.10(4) 6
C02A C27A 1.34(2) .
C02A C03A 1.48(3) .
C03A C73A 0.69(3) 6
C03A C48A 0.81(3) 6
C03A C19A 1.35(3) .
C03A C04A 1.40(3) .
C04A C59A 0.79(4) 6
C04A C47A 0.96(3) 6
C04A C17A 1.40(3) .
C04A C48A 1.41(4) 6
C04A C05A 1.50(3) .
C04A C67A 1.62(4) 6
C05A C47A 0.93(3) 6
C05A C57A 0.94(3) 6
C05A C06A 1.32(3) .
C05A C58A 1.32(3) 6
C05A C59A 1.37(3) 6
C05A C69A 1.55(3) 6
C05A C15A 1.59(3) .
C06A C57A 0.51(4) 6
C06A C52A 1.04(3) 6
C06A C47A 1.49(3) 6
C06A C07A 1.54(3) .
C07A C61A 0.85(3) 6
C07A C52A 1.01(3) 6
C07A C49A 1.39(4) 6
C07A C13A 1.42(3) .
C07A C08A 1.43(3) .
C07A C57A 1.63(4) 6
C08A C61A 0.90(3) 6
C08A C52A 1.29(3) 6
C08A C10A 1.33(2) .
C08A C09A 1.43(3) .
C08A C08A 1.67(4) 6
C09A C62A 0.62(3) 6
C09A C09A 0.86(4) 6
C09A C62A 1.33(3) .
C09A C52A 1.59(3) 6
C10A C11A 1.31(2) .
C10A C08A 1.33(2) 6
C10A C61A 1.52(3) 6
C10A C61A 1.52(3) .
C11A C78A 1.44(3) 6
C11A C78A 1.44(3) .
C11A C29A 1.67(3) 6
C11A C29A 1.67(3) .
C12A C72A 0.21(7) 6
C12A C80A 1.36(3) 6
C12A C29A 1.43(4) .
C12A C78A 1.49(4) 6
C12A C50A 1.52(3) .
C12A C28A 1.54(3) .
C13A C49A 0.46(4) 6
C13A C66A 0.97(4) 6
C13A C29A 1.59(4) .
C13A C14A 1.62(4) .
C13A C61A 1.65(4) 6
C14A C66A 0.70(4) 6
C14A C75A 1.02(4) 6
C14A C58A 1.37(4) 6
C14A C15A 1.39(4) .
C14A C25A 1.46(4) .
C15A C69A 0.71(3) 6
C15A C58A 0.98(3) 6
C15A C56A 1.44(4) 6
C15A C16A 1.51(3) .
C16A C56A 0.75(4) 6
C16A C69A 1.00(3) 6
C16A C23A 1.18(4) .
C16A C53A 1.36(3) 6
C16A C17A 1.51(3) .
C16A C59A 1.67(4) 6
C17A C67A 0.60(4) 6
C17A C59A 1.02(3) 6
C17A C64A 1.27(4) 6
C17A C18A 1.30(4) .
C18A C67A 0.77(4) 6
C18A C64A 0.82(4) 6
C18A C21A 1.26(4) .
C18A C71A 1.30(4) 6
C18A C51A 1.69(4) 6
C18A C30A 1.69(3) .
C19A C73A 0.67(4) 6
C19A C71A 1.10(4) 6
C19A C21A 1.39(3) .
C19A C54A 1.43(3) 6
C20A C54A 1.12(3) 6
C20A C54A 1.12(3) .
C20A C26A 1.34(2) .
C21A C71A 0.49(4) 6
C21A C68A 1.04(4) 6
C21A C36A 1.48(3) .
C21A C67A 1.67(4) 6
C22A C40A 0.78(4) 6
C22A C53A 1.00(3) 6
C22A C30A 1.14(3) .
C22A C65A 1.49(4) 6
C22A C41A 1.50(3) .
C22A C23A 1.51(3) .
C22A C64A 1.68(4) 6
C23A C53A 0.79(3) 6
C23A C56A 0.90(3) 6
C23A C24A 1.47(3) .
C24A C81A 0.82(3) 6
C24A C82A 0.96(4) 6
C24A C33A 1.44(3) .
C24A C25A 1.58(4) .
C24A C56A 1.62(4) 6
C25A C75A 0.63(4) 6
C25A C81A 0.92(3) 6
C25A C80A 1.45(4) 6
C25A C28A 1.66(4) .
C25A C82A 1.69(4) 6
C26A C36A 1.39(3) .
C26A C36A 1.39(3) 6
C26A C68A 1.52(4) 6
C26A C68A 1.52(4) .
C27A C02A 1.34(2) 6
C27A C74A 1.42(2) .
C27A C74A 1.42(2) 6
C27A C54A 1.46(2) .
C27A C54A 1.46(2) 6
C28A C80A 0.50(4) 6
C28A C55A 1.12(3) 6
C28A C31A 1.51(3) .
C28A C72A 1.57(3) 6
C29A C78A 0.26(5) 6
C29A C49A 1.33(3) 6
C29A C72A 1.34(3) 6
C30A C51A 0.88(4) 6
C30A C64A 1.21(4) 6
C30A C65A 1.29(4) 6
C30A C34A 1.29(4) .
C30A C53A 1.67(4) 6
C31A C60A 0.60(4) 6
C31A C55A 0.86(4) 6
C31A C44A 1.38(4) .
C31A C46A 1.56(3) .
C32A C43A 0.95(4) .
C32A C42A 0.97(5) 6
C32A C77A 1.41(5) .
C32A C70A 1.50(4) .
C32A C32A 1.65(7) 6
C33A C63A 0.75(4) 6
C33A C82A 1.07(4) 6
C33A C44A 1.48(4) .
C33A C41A 1.50(3) .
C33A C77A 1.64(6) 6
C34A C51A 0.82(4) 6
C34A C65A 1.09(3) 6
C34A C76A 1.30(3) 6
C34A C39A 1.31(3) .
C34A C35A 1.36(3) .
C34A C70A 1.69(3) 6
C35A C76A 0.56(4) 6
C35A C37A 1.14(3) .
C35A C36A 1.34(4) .
C35A C51A 1.52(4) 6
C35A C68A 1.53(4) 6
C36A C68A 0.53(4) 6
C36A C76A 1.10(4) 6
C37A C35A 1.14(3) 6
C37A C38A 1.24(2) .
C37A C76A 1.68(3) .
C37A C76A 1.68(3) 6
C38A C39A 1.28(3) .
C38A C39A 1.28(3) 6
C38A C70A 1.45(3) 6
C38A C70A 1.45(3) .
C39A C70A 0.43(4) 6
C39A C65A 1.16(4) 6
C39A C42A 1.34(4) .
C40A C41A 0.78(4) 6
C40A C22A 0.78(4) 6
C40A C63A 1.15(4) .
C40A C65A 1.53(3) .
C40A C53A 1.56(3) .
C41A C63A 0.78(4) 6
C41A C40A 0.78(4) 6
C41A C42A 1.20(4) .
C41A C65A 1.57(4) 6
C42A C32A 0.97(5) 6
C42A C70A 1.01(4) 6
C42A C65A 1.41(4) 6
C43A C32A 0.95(4) 6
C43A C45A 1.44(4) .
C44A C79A 0.89(5) 6
C44A C60A 1.40(4) 6
C44A C77A 1.41(5) 6
C44A C55A 1.53(4) 6
C45A C79A 1.08(3) .
C45A C79A 1.08(4) 6
C45A C77A 1.61(5) 6
C45A C77A 1.61(5) .
C46A C60A 1.26(3) 6
C46A C60A 1.26(3) .
C46A C50A 1.52(3) .
C46A C31A 1.56(3) 6
C47A C05A 0.93(3) 6
C47A C04A 0.96(3) 6
C47A C48A 1.20(4) .
C47A C59A 1.36(3) .
C47A C57A 1.41(3) .
C47A C06A 1.49(3) 6
C47A Tb1 2.67(3) 6
C48A C03A 0.81(3) 6
C48A C02A 1.10(4) 6
C48A C04A 1.41(4) 6
C48A C73A 1.47(3) .
C48A C74A 1.49(3) .
C49A C13A 0.46(4) 6
C49A C29A 1.33(3) 6
C49A C61A 1.38(3) .
C49A C07A 1.39(4) 6
C49A C66A 1.43(4) .
C49A C78A 1.49(3) .
C49A Tb1 2.67(4) 6
C50A C12A 1.52(3) 6
C50A C72A 1.52(3) .
C50A C72A 1.52(3) 6
C51A C34A 0.82(4) 6
C51A C30A 0.88(4) 6
C51A C76A 1.15(4) .
C51A C35A 1.52(4) 6
C51A C65A 1.54(3) .
C51A C64A 1.63(3) .
C51A C18A 1.69(4) 6
C52A C07A 1.01(3) 6
C52A C06A 1.04(3) 6
C52A C08A 1.29(3) 6
C52A C61A 1.40(4) .
C52A C57A 1.43(4) .
C52A C62A 1.44(3) .
C52A C01A 1.47(3) 6
C52A C09A 1.59(3) 6
C52A Tb1 2.40(3) 6
C53A C23A 0.79(3) 6
C53A C22A 1.00(3) 6
C53A C16A 1.36(3) 6
C53A C64A 1.40(3) .
C53A C56A 1.49(3) .
C53A C30A 1.67(4) 6
C54A C54A 1.11(4) 6
C54A C19A 1.43(3) 6
C54A C73A 1.47(3) .
C55A C31A 0.86(4) 6
C55A C28A 1.12(3) 6
C55A C82A 1.40(3) .
C55A C60A 1.42(4) .
C55A C80A 1.53(3) .
C55A C44A 1.53(4) 6
C56A C16A 0.75(4) 6
C56A C23A 0.90(3) 6
C56A C69A 1.28(3) .
C56A C81A 1.41(3) .
C56A C15A 1.44(4) 6
C56A C24A 1.62(4) 6
C56A Tb1 2.96(3) 6
C57A C06A 0.51(4) 6
C57A C05A 0.94(3) 6
C57A C58A 1.34(3) .
C57A C07A 1.63(4) 6
C57A Tb1 2.35(4) 6
C58A C15A 0.98(3) 6
C58A C66A 1.27(4) .
C58A C05A 1.32(3) 6
C58A C14A 1.37(4) 6
C58A C69A 1.53(3) .
C58A Tb1 2.32(3) 6
C59A C04A 0.79(4) 6
C59A C17A 1.02(3) 6
C59A C69A 1.36(3) .
C59A C05A 1.37(3) 6
C59A C67A 1.50(4) .
C59A C16A 1.67(4) 6
C59A Tb1 2.87(3) 6
C60A C31A 0.60(4) 6
C60A C44A 1.40(4) 6
C60A C79A 1.55(4) .
C61A C07A 0.85(3) 6
C61A C08A 0.90(3) 6
C61A C13A 1.65(4) 6
C61A Tb1 2.64(3) 6
C62A C09A 0.62(3) 6
C62A C01A 0.88(3) 6
C62A C74A 1.37(3) .
C62A C62A 1.61(4) 6
C62A Tb1 2.78(3) 6
C63A C33A 0.75(4) 6
C63A C41A 0.78(4) 6
C63A C77A 1.53(5) .
C64A C18A 0.82(4) 6
C64A C67A 1.09(4) .
C64A C30A 1.21(4) 6
C64A C17A 1.27(4) 6
C64A C22A 1.68(4) 6
C65A C34A 1.09(3) 6
C65A C39A 1.16(4) 6
C65A C70A 1.28(4) .
C65A C30A 1.29(4) 6
C65A C42A 1.41(4) 6
C65A C22A 1.49(4) 6
C65A C41A 1.57(4) 6
C66A C14A 0.70(4) 6
C66A C13A 0.97(4) 6
C66A C75A 1.48(4) .
C66A Tb1 2.45(4) 6
C67A C17A 0.60(4) 6
C67A C18A 0.77(4) 6
C67A C71A 1.48(4) .
C67A C04A 1.62(4) 6
C67A C21A 1.67(4) 6
C68A C36A 0.53(4) 6
C68A C21A 1.04(4) 6
C68A C76A 1.16(4) .
C68A C71A 1.48(4) .
C68A C35A 1.53(4) 6
C69A C15A 0.71(3) 6
C69A C16A 1.00(3) 6
C69A C05A 1.55(3) 6
C69A Tb1 2.71(3) 6
C70A C39A 0.43(4) 6
C70A C42A 1.01(4) 6
C71A C21A 0.49(4) 6
C71A C19A 1.10(4) 6
C71A C18A 1.30(4) 6
C71A C73A 1.41(4) .
C72A C12A 0.21(7) 6
C72A C29A 1.34(3) 6
C72A C80A 1.36(3) .
C72A C78A 1.40(4) .
C72A C28A 1.57(3) 6
C73A C19A 0.67(4) 6
C73A C03A 0.69(3) 6
C74A C02A 0.57(3) 6
C74A C01A 0.99(3) 6
C75A C25A 0.63(4) 6
C75A C14A 1.02(4) 6
C75A C81A 1.41(3) .
C75A C80A 1.43(3) .
C75A Tb1 2.99(3) 6
C76A C35A 0.56(4) 6
C76A C36A 1.10(4) 6
C76A C34A 1.30(3) 6
C77A C79A 1.26(5) .
C77A C44A 1.41(5) 6
C77A C33A 1.63(6) 6
C78A C29A 0.26(4) 6
C78A C12A 1.49(3) 6
C79A C44A 0.89(5) 6
C80A C28A 0.50(4) 6
C80A C12A 1.36(3) 6
C80A C25A 1.45(4) 6
C81A C24A 0.82(3) 6
C81A C25A 0.92(3) 6
C81A C82A 1.42(3) .
C82A C24A 0.96(4) 6
C82A C33A 1.07(4) 6
C82A C25A 1.69(4) 6
Ni1P N3P 1.960(9) .
Ni1P N2P 1.966(9) .
Ni1P N1P 1.975(7) .
Ni1P N1P 1.975(7) 6
N1P C04P 1.359(10) .
N1P C09P 1.366(10) .
N2P C07P 1.370(10) 6
N2P C07P 1.370(10) .
N3P C01P 1.366(10) .
N3P C01P 1.366(10) 6
C01P C03P 1.393(12) .
C01P C02P 1.441(11) .
C02P C02P 1.361(17) 6
C02P C17P 1.502(12) .
C03P C04P 1.368(11) .
C03P H03P 0.9500 .
C04P C10P 1.473(11) .
C05P C10P 1.377(12) .
C05P C09P 1.452(12) .
C05P C13P 1.482(11) .
C06P C06P 1.341(17) 6
C06P C07P 1.455(11) .
C06P C15P 1.503(12) .
C07P C08P 1.365(11) .
C08P C09P 1.373(11) 6
C08P H08P 0.9500 .
C09P C08P 1.373(11) 6
C10P C11P 1.491(12) .
C11P C12P 1.509(14) .
C11P H11A 0.9900 .
C11P H11B 0.9900 .
C12P H12A 0.9800 .
C12P H12B 0.9800 .
C12P H12C 0.9800 .
C13P C14P 1.558(13) .
C13P H13A 0.9900 .
C13P H13B 0.9900 .
C14P H14A 0.9800 .
C14P H14B 0.9800 .
C14P H14C 0.9800 .
C15P C16P 1.547(13) .
C15P H15A 0.9900 .
C15P H15B 0.9900 .
C16P H16A 0.9800 .
C16P H16B 0.9800 .
C16P H16C 0.9800 .
C17P C18P 1.514(13) .
C17P H17A 0.9900 .
C17P H17B 0.9900 .
C18P H18A 0.9800 .
C18P H18B 0.9800 .
C18P H18C 0.9800 .
C01S C02S 1.31(3) .
C01S C06S 1.39(3) .
C01S H01S 0.9500 .
C02S C03S 1.37(2) .
C02S H02S 0.9500 .
C03S C04S 1.374(19) .
C03S H03S 0.9500 .
C04S C05S 1.37(2) .
C04S H04S 0.9500 .
C05S C06S 1.35(2) .
C05S H05S 0.9500 .
C06S H06S 0.9500 .
C07S C08S 1.3900 .
C07S C12S 1.3900 .
C07S H07S 0.9500 .
C08S C09S 1.3900 .
C08S H08S 0.9500 .
C09S C10S 1.3900 .
C09S H09S 0.9500 .
C10S C11S 1.3900 .
C10S H10S 0.9500 .
C11S C12S 1.3900 .
C11S H11S 0.9500 .
C12S H12S 0.9500 .
