#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/32/01/4320194.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_4320194
loop_
_publ_author_name
'Franc Meyer'
'Rainer F. Winter'
'Elisabeth Kaifer'
_publ_contact_author
;
       PD Dr. Franc Meyer
       Anorganisch-Chemisches Institut
       Ruprecht-Karls Universitaet Heidelberg
       Im Neuenheimer Feld 270
       69120 Heidelberg
       Bundesrepublik Deutschland
;
_publ_contact_author_email       Franc@sun0.urz.uni-heidelberg.de
_publ_contact_author_fax         '049 6221 54-5707'
_publ_contact_author_phone       '049 6221 54-8315'
_publ_section_title
;
 Extremely Bent Cyanide Coordination at a Preorganized Dinickel Site and
 Assembly of a Starlike Nonanuclear Complex from the Constrained Dinickel
 Building Blocks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4597
_journal_page_last               4603
_journal_paper_doi               10.1021/ic010249x
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C124 H244 Cl6 N40 Ni9 O22.5'
_chemical_formula_weight         3396.68
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.79(3)
_cell_angle_beta                 95.78(3)
_cell_angle_gamma                110.32(3)
_cell_formula_units_Z            2
_cell_length_a                   20.593(4)
_cell_length_b                   20.793(4)
_cell_length_c                   21.034(4)
_cell_measurement_temperature    200
_cell_volume                     8392(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'NONIUS KAPPA CCD'
_diffrn_measurement_method       'O-Scan    '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1099
_diffrn_reflns_av_sigmaI/netI    0.1707
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            90732
_diffrn_reflns_theta_full        29.78
_diffrn_reflns_theta_max         29.78
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    1.151
_exptl_absorpt_correction_type   experimentell
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3604
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.658
_refine_diff_density_min         -1.144
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1854
_refine_ls_number_reflns         46588
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.1963
_refine_ls_R_factor_gt           0.0829
_refine_ls_shift/su_max          0.214
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1333P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2200
_refine_ls_wR_factor_ref         0.2692
_reflns_number_gt                20687
_reflns_number_total             46588
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010249x_2.cif
_cod_data_source_block           fmka
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_formula_sum        'C124 H244 Cl6 N40 Ni9 O22.50'
_cod_database_code               4320194
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.16222(4) 0.83297(4) 0.65202(4) 0.0359(2) Uani 1 1 d . . .
Ni2 Ni 0.22074(4) 0.86502(4) 0.47499(3) 0.02991(18) Uani 1 1 d . . .
Ni3 Ni 0.39039(4) 1.09002(4) 0.17996(3) 0.03257(19) Uani 1 1 d . . .
Ni4 Ni 0.31785(4) 0.88540(4) 0.15518(3) 0.03142(19) Uani 1 1 d . . .
Ni5 Ni 0.24724(4) 0.53429(4) -0.04549(3) 0.03113(18) Uani 1 1 d . . .
Ni6 Ni 0.24793(4) 0.52650(4) 0.14560(3) 0.03218(19) Uani 1 1 d . . .
Ni7 Ni 0.25471(4) 0.34148(4) 0.47315(4) 0.03220(19) Uani 1 1 d . . .
Ni8 Ni 0.26109(4) 0.53740(4) 0.48478(3) 0.02756(18) Uani 1 1 d . . .
Ni9 Ni 0.26112(4) 0.70493(3) 0.31474(3) 0.02767(17) Uani 1 1 d . . .
N1 N 0.1765(3) 0.9072(3) 0.6021(2) 0.0357(12) Uani 1 1 d . . .
N2 N 0.1991(3) 0.9222(2) 0.5436(2) 0.0349(12) Uani 1 1 d . . .
N3 N 0.1554(3) 0.8963(3) 0.7182(2) 0.0392(13) Uani 1 1 d . . .
N4 N 0.1261(3) 0.7576(3) 0.7067(2) 0.0450(14) Uani 1 1 d . . .
N5 N 0.2015(4) 1.0125(4) 0.8240(3) 0.069(2) Uani 1 1 d . . .
N6 N 0.2342(3) 0.9567(2) 0.4289(2) 0.0337(12) Uani 1 1 d . . .
N7 N 0.3357(3) 0.9145(2) 0.5067(2) 0.0329(11) Uani 1 1 d . . .
N8 N 0.1088(3) 0.8344(3) 0.4241(2) 0.0410(13) Uani 1 1 d . . .
N9 N 0.1982(3) 0.7758(2) 0.5357(2) 0.0368(12) Uani 1 1 d . . .
N10 N 0.2417(3) 0.8115(2) 0.4027(2) 0.0313(11) Uani 1 1 d . . .
N101 N 0.3846(2) 1.0338(2) 0.1096(2) 0.0262(10) Uani 1 1 d . . .
N102 N 0.3596(3) 0.9646(2) 0.0988(2) 0.0334(12) Uani 1 1 d . . .
N103 N 0.4152(3) 1.1629(2) 0.1195(2) 0.0392(13) Uani 1 1 d . A .
N104 N 0.4213(3) 1.1596(2) 0.2497(2) 0.0457(15) Uani 1 1 d . . .
N105 N 0.3995(4) 1.2602(3) 0.0169(3) 0.065(2) Uani 1 1 d . . .
N106 N 0.3212(3) 0.8316(3) 0.0707(2) 0.0389(13) Uani 1 1 d . . .
N107 N 0.2100(3) 0.8710(3) 0.1117(2) 0.0409(13) Uani 1 1 d . . .
N108 N 0.4265(3) 0.8774(2) 0.1824(2) 0.0376(12) Uani 1 1 d . . .
N109 N 0.3266(3) 0.9553(3) 0.2375(2) 0.0360(12) Uani 1 1 d . . .
N110 N 0.2788(3) 0.8021(2) 0.2073(2) 0.0341(12) Uani 1 1 d . . .
N201 N 0.2381(3) 0.4632(2) 0.0085(2) 0.0352(12) Uani 1 1 d . . .
N202 N 0.2336(3) 0.4571(2) 0.0720(2) 0.0323(11) Uani 1 1 d . . .
N203 N 0.2100(3) 0.4600(3) -0.1113(2) 0.0363(12) Uani 1 1 d . . .
N204 N 0.2693(3) 0.6006(3) -0.1122(2) 0.0349(12) Uani 1 1 d . . .
N205 N 0.0897(3) 0.3173(3) -0.1629(3) 0.0601(19) Uani 1 1 d . . .
N206 N 0.2281(3) 0.4357(3) 0.1948(2) 0.0395(13) Uani 1 1 d . . .
N207 N 0.1302(3) 0.4997(3) 0.1441(2) 0.0405(13) Uani 1 1 d . . .
N208 N 0.3613(3) 0.5326(2) 0.1665(2) 0.0350(12) Uani 1 1 d . . .
N209 N 0.2694(3) 0.6110(2) 0.0800(2) 0.0337(12) Uani 1 1 d . . .
N210 N 0.2622(3) 0.5930(2) 0.2224(2) 0.0342(12) Uani 1 1 d . . .
N301 N 0.2517(3) 0.3966(2) 0.5415(2) 0.0313(11) Uani 1 1 d . . .
N302 N 0.2573(3) 0.4638(2) 0.5475(2) 0.0294(11) Uani 1 1 d . . .
N303 N 0.2736(3) 0.2853(2) 0.5401(2) 0.0360(12) Uani 1 1 d . . .
N304 N 0.2420(3) 0.2676(3) 0.4110(3) 0.0403(13) Uani 1 1 d . . .
N305 N 0.3642(3) 0.2650(3) 0.6636(3) 0.0518(15) Uani 1 1 d . . .
N306 N 0.2589(3) 0.5900(2) 0.5706(2) 0.0314(11) Uani 1 1 d . . .
N307 N 0.1440(3) 0.5071(2) 0.4784(2) 0.0327(11) Uani 1 1 d . . .
N308 N 0.3777(3) 0.5874(2) 0.5085(2) 0.0328(11) Uani 1 1 d . . .
N309 N 0.2590(3) 0.4659(3) 0.4034(2) 0.0345(12) Uani 1 1 d . . .
N310 N 0.2644(3) 0.6142(2) 0.4250(2) 0.0319(11) Uani 1 1 d . . .
C1 C 0.1581(4) 0.9600(4) 0.6239(3) 0.0462(17) Uani 1 1 d . . .
C2 C 0.1700(4) 1.0090(4) 0.5793(3) 0.0476(18) Uani 1 1 d . . .
H2 H 0.1627 1.0507 0.5816 0.036(8) Uiso 1 1 calc R . .
C3 C 0.1957(3) 0.9830(3) 0.5293(3) 0.0350(14) Uani 1 1 d . . .
C4 C 0.1286(4) 0.9480(4) 0.6855(3) 0.0490(18) Uani 1 1 d . . .
H4A H 0.0780 0.9301 0.6786 0.0463(16) Uiso 1 1 calc R . .
H4B H 0.1433 0.9905 0.7116 0.0463(16) Uiso 1 1 calc R . .
C5 C 0.1089(4) 0.8530(4) 0.7631(3) 0.056(2) Uani 1 1 d . . .
H5A H 0.0605 0.8401 0.7454 0.0463(16) Uiso 1 1 calc R . .
H5B H 0.1152 0.8783 0.8037 0.0463(16) Uiso 1 1 calc R . .
C6 C 0.1281(4) 0.7902(4) 0.7724(3) 0.055(2) Uani 1 1 d . . .
H6A H 0.0954 0.7581 0.7972 0.0463(16) Uiso 1 1 calc R . .
H6B H 0.1744 0.8027 0.7953 0.0463(16) Uiso 1 1 calc R . .
C7 C 0.1586(4) 0.7036(4) 0.7120(3) 0.055(2) Uani 1 1 d . . .
H7A H 0.1437 0.6737 0.6735 0.0463(16) Uiso 1 1 calc R . .
H7B H 0.1421 0.6758 0.7478 0.0463(16) Uiso 1 1 calc R . .
C8 C 0.2376(4) 0.7330(4) 0.7216(3) 0.057(2) Uani 1 1 d . . .
H8A H 0.2544 0.7596 0.6858 0.073(3) Uiso 1 1 calc R . .
H8B H 0.2556 0.6962 0.7248 0.073(3) Uiso 1 1 calc R . .
H8C H 0.2528 0.7618 0.7602 0.073(3) Uiso 1 1 calc R . .
C9 C 0.0524(4) 0.7247(4) 0.6748(4) 0.058(2) Uani 1 1 d . . .
H9A H 0.0540 0.7017 0.6348 0.0463(16) Uiso 1 1 calc R . .
H9B H 0.0340 0.7608 0.6643 0.0463(16) Uiso 1 1 calc R . .
C10 C 0.0019(5) 0.6734(4) 0.7131(4) 0.071(2) Uani 1 1 d . . .
H10A H 0.0142 0.6330 0.7168 0.073(3) Uiso 1 1 calc R . .
H10B H -0.0445 0.6612 0.6918 0.073(3) Uiso 1 1 calc R . .
H10C H 0.0040 0.6934 0.7550 0.073(3) Uiso 1 1 calc R . .
C11 C 0.2292(4) 0.9315(4) 0.7503(3) 0.0526(19) Uani 1 1 d . . .
H11A H 0.2534 0.9688 0.7245 0.0463(16) Uiso 1 1 calc R . .
H11B H 0.2533 0.8988 0.7509 0.0463(16) Uiso 1 1 calc R . .
C12 C 0.2344(5) 0.9602(5) 0.8185(4) 0.070(2) Uani 1 1 d . . .
H12A H 0.2127 0.9226 0.8450 0.0463(16) Uiso 1 1 calc R . .
H12B H 0.2833 0.9804 0.8351 0.0463(16) Uiso 1 1 calc R . .
C13 C 0.1770(8) 1.0094(6) 0.8907(5) 0.138(6) Uani 1 1 d . . .
H13A H 0.1494 1.0387 0.8928 0.0463(16) Uiso 1 1 calc R . .
H13B H 0.1469 0.9627 0.8965 0.0463(16) Uiso 1 1 calc R . .
C14 C 0.2325(9) 1.0301(8) 0.9426(6) 0.176(7) Uani 1 1 d . . .
H14A H 0.2510 0.9940 0.9493 0.073(3) Uiso 1 1 calc R . .
H14B H 0.2147 1.0393 0.9809 0.073(3) Uiso 1 1 calc R . .
H14C H 0.2687 1.0709 0.9322 0.073(3) Uiso 1 1 calc R . .
C15 C 0.2376(7) 1.0775(5) 0.8040(6) 0.110(4) Uani 1 1 d . . .
H15A H 0.2529 1.0721 0.7628 0.0463(16) Uiso 1 1 calc R . .
H15B H 0.2790 1.0984 0.8340 0.0463(16) Uiso 1 1 calc R . .
C16 C 0.2002(9) 1.1242(6) 0.7981(7) 0.166(7) Uani 1 1 d . . .
H16A H 0.2141 1.1524 0.7627 0.073(3) Uiso 1 1 calc R . .
H16B H 0.2103 1.1527 0.8367 0.073(3) Uiso 1 1 calc R . .
H16C H 0.1510 1.0986 0.7910 0.073(3) Uiso 1 1 calc R . .
C17 C 0.2193(3) 1.0105(3) 0.4675(3) 0.0324(13) Uani 1 1 d . . .
H17A H 0.2610 1.0510 0.4755 0.0463(16) Uiso 1 1 calc R . .
H17B H 0.1833 1.0236 0.4437 0.0463(16) Uiso 1 1 calc R . .
C18 C 0.3094(4) 0.9809(3) 0.4166(3) 0.0408(16) Uani 1 1 d . . .
H18A H 0.3224 1.0261 0.3993 0.0463(16) Uiso 1 1 calc R . .
H18B H 0.3166 0.9495 0.3858 0.0463(16) Uiso 1 1 calc R . .
C19 C 0.3530(3) 0.9835(3) 0.4791(3) 0.0374(15) Uani 1 1 d . . .
H19A H 0.4019 1.0008 0.4725 0.0463(16) Uiso 1 1 calc R . .
H19B H 0.3454 1.0152 0.5094 0.0463(16) Uiso 1 1 calc R . .
C20 C 0.3804(3) 0.8797(3) 0.4789(3) 0.0373(15) Uani 1 1 d . . .
H20A H 0.4291 0.9073 0.4906 0.0463(16) Uiso 1 1 calc R . .
H20B H 0.3715 0.8774 0.4326 0.0463(16) Uiso 1 1 calc R . .
C21 C 0.3675(4) 0.8068(3) 0.5015(3) 0.0421(16) Uani 1 1 d . . .
H21A H 0.3890 0.8094 0.5445 0.073(3) Uiso 1 1 calc R . .
H21B H 0.3871 0.7830 0.4740 0.073(3) Uiso 1 1 calc R . .
H21C H 0.3182 0.7825 0.5000 0.073(3) Uiso 1 1 calc R . .
C22 C 0.3489(4) 0.9216(3) 0.5768(3) 0.0409(16) Uani 1 1 d . . .
H22A H 0.3334 0.8760 0.5932 0.0463(16) Uiso 1 1 calc R . .
H22B H 0.3202 0.9455 0.5922 0.0463(16) Uiso 1 1 calc R . .
C23 C 0.4244(4) 0.9594(4) 0.6056(4) 0.0549(19) Uani 1 1 d . . .
H23A H 0.4525 0.9328 0.5963 0.073(3) Uiso 1 1 calc R . .
H23B H 0.4261 0.9657 0.6511 0.073(3) Uiso 1 1 calc R . .
H23C H 0.4420 1.0034 0.5874 0.073(3) Uiso 1 1 calc R . .
C24 C 0.1836(4) 0.9343(3) 0.3701(3) 0.0446(17) Uani 1 1 d . . .
H24A H 0.1972 0.9043 0.3428 0.0463(16) Uiso 1 1 calc R . .
H24B H 0.1836 0.9740 0.3464 0.0463(16) Uiso 1 1 calc R . .
C25 C 0.1123(4) 0.8971(3) 0.3880(3) 0.0479(18) Uani 1 1 d . . .
H25A H 0.0795 0.8836 0.3495 0.0463(16) Uiso 1 1 calc R . .
H25B H 0.0985 0.9278 0.4142 0.0463(16) Uiso 1 1 calc R . .
C26 C 0.0575(4) 0.8218(4) 0.4722(3) 0.0544(19) Uani 1 1 d . . .
H26A H 0.0708 0.8625 0.5006 0.0463(16) Uiso 1 1 calc R . .
H26B H 0.0611 0.7845 0.4979 0.0463(16) Uiso 1 1 calc R . .
C27 C -0.0188(4) 0.8040(5) 0.4452(4) 0.078(3) Uani 1 1 d . . .
H27A H -0.0230 0.8391 0.4176 0.073(3) Uiso 1 1 calc R . .
H27B H -0.0467 0.8011 0.4797 0.073(3) Uiso 1 1 calc R . .
H27C H -0.0347 0.7607 0.4212 0.073(3) Uiso 1 1 calc R . .
C28 C 0.0886(4) 0.7754(3) 0.3765(3) 0.0422(16) Uani 1 1 d . . .
H28A H 0.1231 0.7854 0.3464 0.0463(16) Uiso 1 1 calc R . .
H28B H 0.0445 0.7717 0.3527 0.0463(16) Uiso 1 1 calc R . .
C29 C 0.0815(4) 0.7076(3) 0.4030(3) 0.0474(17) Uani 1 1 d . . .
H29A H 0.1224 0.7118 0.4315 0.073(3) Uiso 1 1 calc R . .
H29B H 0.0763 0.6747 0.3686 0.073(3) Uiso 1 1 calc R . .
H29C H 0.0413 0.6925 0.4259 0.073(3) Uiso 1 1 calc R . .
C30 C 0.1810(3) 0.7869(3) 0.5841(3) 0.0325(14) Uani 1 1 d . . .
C31 C 0.2506(3) 0.7726(3) 0.3688(3) 0.0320(13) Uani 1 1 d . . .
C101 C 0.4159(3) 1.0631(3) 0.0591(3) 0.0346(14) Uani 1 1 d . . .
C102 C 0.4110(4) 1.0123(3) 0.0138(3) 0.0382(15) Uani 1 1 d . . .
H102 H 0.4275 1.0176 -0.0261 0.036(8) Uiso 1 1 calc R . .
C103 C 0.3760(3) 0.9519(3) 0.0416(3) 0.0341(14) Uani 1 1 d . . .
C104 C 0.4500(3) 1.1413(3) 0.0680(3) 0.0332(14) Uani 1 1 d . . .
H10A H 0.4997 1.1542 0.0808 0.0463(16) Uiso 1 1 calc R . .
H10B H 0.4431 1.1627 0.0285 0.0463(16) Uiso 1 1 calc R . .
C105 C 0.4624(4) 1.2261(3) 0.1572(3) 0.054(2) Uani 1 1 d . . .
H10C H 0.4651 1.2666 0.1338 0.0463(16) Uiso 1 1 calc R . .
H10D H 0.5090 1.2244 0.1658 0.0463(16) Uiso 1 1 calc R . .
C106 C 0.4311(5) 1.2280(3) 0.2201(3) 0.054(2) Uani 1 1 d . . .
H10E H 0.4622 1.2654 0.2488 0.0463(16) Uiso 1 1 calc R . .
H10F H 0.3867 1.2346 0.2119 0.0463(16) Uiso 1 1 calc R . .
C107 C 0.4908(4) 1.1525(4) 0.2748(3) 0.054(2) Uani 1 1 d . . .
H10G H 0.4812 1.1115 0.2990 0.0463(16) Uiso 1 1 calc R . .
H10H H 0.5137 1.1459 0.2385 0.0463(16) Uiso 1 1 calc R . .
C108 C 0.5410(5) 1.2125(4) 0.3168(4) 0.071(3) Uani 1 1 d . . .
H10I H 0.5596 1.2510 0.2910 0.073(3) Uiso 1 1 calc R . .
H10J H 0.5783 1.1998 0.3370 0.073(3) Uiso 1 1 calc R . .
H10K H 0.5168 1.2248 0.3489 0.073(3) Uiso 1 1 calc R . .
C109 C 0.3752(5) 1.1510(3) 0.3026(3) 0.056(2) Uani 1 1 d . . .
H10I H 0.3808 1.1156 0.3297 0.0463(16) Uiso 1 1 calc R . .
H10J H 0.3901 1.1936 0.3286 0.0463(16) Uiso 1 1 calc R . .
C110 C 0.2999(5) 1.1323(4) 0.2784(4) 0.066(2) Uani 1 1 d . . .
H11C H 0.2935 1.1686 0.2538 0.073(3) Uiso 1 1 calc R . .
H11D H 0.2729 1.1256 0.3139 0.073(3) Uiso 1 1 calc R . .
H11E H 0.2850 1.0907 0.2519 0.073(3) Uiso 1 1 calc R . .
C111 C 0.3478(4) 1.1683(4) 0.0924(3) 0.0490(18) Uani 1 1 d . . .
H11C H 0.3169 1.1591 0.1257 0.0463(16) Uiso 1 1 calc R A .
H11D H 0.3267 1.1327 0.0587 0.0463(16) Uiso 1 1 calc R . .
C112 C 0.3519(5) 1.2370(4) 0.0653(4) 0.068(3) Uani 1 1 d . A .
H11E H 0.3056 1.2335 0.0468 0.0463(16) Uiso 1 1 calc R . .
H11F H 0.3660 1.2716 0.1003 0.0463(16) Uiso 1 1 calc R . .
C113 C 0.3692(5) 1.2209(5) -0.0441(4) 0.075(3) Uani 1 1 d . A .
H11G H 0.3309 1.2342 -0.0623 0.0463(16) Uiso 1 1 calc R . .
H11H H 0.3507 1.1724 -0.0361 0.0463(16) Uiso 1 1 calc R . .
C114 C 0.4223(6) 1.2323(6) -0.0922(4) 0.093(3) Uani 1 1 d . . .
H11I H 0.4342 1.2782 -0.1065 0.073(3) Uiso 1 1 calc R A .
H11J H 0.4028 1.2000 -0.1281 0.073(3) Uiso 1 1 calc R . .
H11K H 0.4635 1.2259 -0.0722 0.073(3) Uiso 1 1 calc R . .
C115 C 0.4348(7) 1.3390(5) 0.0155(6) 0.048(3) Uani 0.70 1 d P A 1
H11I H 0.4552 1.3578 0.0583 0.0463(16) Uiso 0.70 1 calc PR A 1
H11J H 0.4721 1.3494 -0.0117 0.0463(16) Uiso 0.70 1 calc PR A 1
C115 C 0.376(2) 1.3179(15) -0.0150(16) 0.073(10) Uani 0.30 1 d P A 2
H11K H 0.3260 1.3073 -0.0184 0.0463(16) Uiso 0.30 1 calc PR A 2
H11L H 0.3931 1.3299 -0.0561 0.0463(16) Uiso 0.30 1 calc PR A 2
C116 C 0.3834(6) 1.3729(6) -0.0093(7) 0.063(3) Uani 0.70 1 d P A 1
H11O H 0.3701 1.3613 -0.0542 0.073(3) Uiso 0.70 1 calc PR A 1
H11P H 0.4049 1.4218 -0.0025 0.073(3) Uiso 0.70 1 calc PR A 1
H11Q H 0.3429 1.3569 0.0132 0.073(3) Uiso 0.70 1 calc PR A 1
C116 C 0.4176(17) 1.3736(14) 0.0415(16) 0.072(10) Uani 0.30 1 d P A 2
H11R H 0.3887 1.3702 0.0753 0.073(3) Uiso 0.30 1 calc PR A 2
H11S H 0.4300 1.4188 0.0254 0.073(3) Uiso 0.30 1 calc PR A 2
H11T H 0.4591 1.3653 0.0577 0.073(3) Uiso 0.30 1 calc PR A 2
C117 C 0.3523(4) 0.8778(3) 0.0195(3) 0.0422(16) Uani 1 1 d . . .
H11M H 0.3917 0.8673 0.0069 0.0463(16) Uiso 1 1 calc R . .
H11N H 0.3180 0.8694 -0.0177 0.0463(16) Uiso 1 1 calc R . .
C118 C 0.2481(4) 0.7904(3) 0.0510(3) 0.0483(19) Uani 1 1 d . . .
H11O H 0.2310 0.7557 0.0817 0.0463(16) Uiso 1 1 calc R . .
H11P H 0.2435 0.7674 0.0095 0.0463(16) Uiso 1 1 calc R . .
C119 C 0.2067(4) 0.8368(4) 0.0476(3) 0.0484(18) Uani 1 1 d . . .
H11Q H 0.1585 0.8104 0.0324 0.0463(16) Uiso 1 1 calc R . .
H11R H 0.2245 0.8715 0.0172 0.0463(16) Uiso 1 1 calc R . .
C120 C 0.2000(4) 0.9384(3) 0.1038(3) 0.0489(18) Uani 1 1 d . . .
H12C H 0.2064 0.9607 0.1460 0.0463(16) Uiso 1 1 calc R . .
H12D H 0.2366 0.9670 0.0802 0.0463(16) Uiso 1 1 calc R . .
C121 C 0.1318(5) 0.9369(4) 0.0709(4) 0.068(2) Uani 1 1 d . . .
H12E H 0.1218 0.9105 0.0310 0.073(3) Uiso 1 1 calc R . .
H12F H 0.1340 0.9829 0.0628 0.073(3) Uiso 1 1 calc R . .
H12G H 0.0956 0.9164 0.0975 0.073(3) Uiso 1 1 calc R . .
C122 C 0.1528(4) 0.8246(4) 0.1456(3) 0.0474(17) Uani 1 1 d . . .
H12E H 0.1594 0.7808 0.1497 0.0463(16) Uiso 1 1 calc R . .
H12F H 0.1088 0.8164 0.1197 0.0463(16) Uiso 1 1 calc R . .
C123 C 0.1487(4) 0.8529(4) 0.2126(3) 0.058(2) Uani 1 1 d . . .
H12H H 0.1943 0.8688 0.2362 0.073(3) Uiso 1 1 calc R . .
H12I H 0.1177 0.8171 0.2349 0.073(3) Uiso 1 1 calc R . .
H12J H 0.1316 0.8902 0.2085 0.073(3) Uiso 1 1 calc R . .
C124 C 0.3655(4) 0.7906(3) 0.0927(3) 0.0444(17) Uani 1 1 d . . .
H12G H 0.3736 0.7662 0.0565 0.0463(16) Uiso 1 1 calc R . .
H12H H 0.3422 0.7573 0.1224 0.0463(16) Uiso 1 1 calc R . .
C125 C 0.4339(4) 0.8393(3) 0.1252(3) 0.0484(18) Uani 1 1 d . . .
H12I H 0.4638 0.8134 0.1379 0.0463(16) Uiso 1 1 calc R . .
H12J H 0.4565 0.8720 0.0948 0.0463(16) Uiso 1 1 calc R . .
C126 C 0.4825(4) 0.9479(3) 0.1898(4) 0.0456(17) Uani 1 1 d . . .
H12K H 0.4733 0.9740 0.2243 0.0463(16) Uiso 1 1 calc R . .
H12L H 0.4797 0.9716 0.1508 0.0463(16) Uiso 1 1 calc R . .
C127 C 0.5568(4) 0.9472(4) 0.2041(4) 0.063(2) Uani 1 1 d . . .
H12M H 0.5607 0.9254 0.2435 0.073(3) Uiso 1 1 calc R . .
H12N H 0.5895 0.9934 0.2076 0.073(3) Uiso 1 1 calc R . .
H12O H 0.5668 0.9221 0.1699 0.073(3) Uiso 1 1 calc R . .
C128 C 0.4327(4) 0.8370(3) 0.2402(3) 0.0411(16) Uani 1 1 d . . .
H12M H 0.3967 0.7919 0.2338 0.0463(16) Uiso 1 1 calc R . .
H12N H 0.4774 0.8306 0.2429 0.0463(16) Uiso 1 1 calc R . .
C129 C 0.4269(4) 0.8685(3) 0.3021(3) 0.0473(17) Uani 1 1 d . . .
H12P H 0.4668 0.9094 0.3127 0.073(3) Uiso 1 1 calc R . .
H12Q H 0.4246 0.8366 0.3351 0.073(3) Uiso 1 1 calc R . .
H12R H 0.3854 0.8800 0.2986 0.073(3) Uiso 1 1 calc R . .
C130 C 0.3545(3) 1.0122(3) 0.2260(3) 0.0336(14) Uani 1 1 d . . .
C131 C 0.2667(3) 0.7626(3) 0.2467(3) 0.0324(14) Uani 1 1 d . . .
C201 C 0.2267(4) 0.4006(3) -0.0179(3) 0.0382(15) Uani 1 1 d . . .
C202 C 0.2145(4) 0.3531(3) 0.0282(3) 0.0439(17) Uani 1 1 d . . .
H202 H 0.2049 0.3061 0.0231 0.036(8) Uiso 1 1 calc R . .
C203 C 0.2197(3) 0.3915(3) 0.0836(3) 0.0357(14) Uani 1 1 d . . .
C204 C 0.2316(4) 0.4016(3) -0.0893(3) 0.0419(16) Uani 1 1 d . . .
H20C H 0.2789 0.4089 -0.0981 0.0463(16) Uiso 1 1 calc R . .
H20D H 0.2008 0.3587 -0.1107 0.0463(16) Uiso 1 1 calc R . .
C205 C 0.2384(4) 0.4885(3) -0.1717(3) 0.0399(16) Uani 1 1 d . . .
H20E H 0.2102 0.4602 -0.2085 0.0463(16) Uiso 1 1 calc R . .
H20F H 0.2858 0.4894 -0.1717 0.0463(16) Uiso 1 1 calc R . .
C206 C 0.2366(4) 0.5601(3) -0.1746(3) 0.0405(16) Uani 1 1 d . . .
H20G H 0.1887 0.5580 -0.1830 0.0463(16) Uiso 1 1 calc R . .
H20H H 0.2616 0.5829 -0.2093 0.0463(16) Uiso 1 1 calc R . .
C207 C 0.3452(3) 0.6275(3) -0.1150(3) 0.0394(15) Uani 1 1 d . . .
H20I H 0.3546 0.6579 -0.1502 0.0463(16) Uiso 1 1 calc R . .
H20J H 0.3597 0.5892 -0.1252 0.0463(16) Uiso 1 1 calc R . .
C208 C 0.3902(4) 0.6659(4) -0.0558(3) 0.0484(17) Uani 1 1 d . . .
H20K H 0.3853 0.7098 -0.0510 0.073(3) Uiso 1 1 calc R . .
H20L H 0.4381 0.6722 -0.0598 0.073(3) Uiso 1 1 calc R . .
H20M H 0.3760 0.6400 -0.0190 0.073(3) Uiso 1 1 calc R . .
C209 C 0.2431(4) 0.6593(3) -0.1059(3) 0.0400(15) Uani 1 1 d . . .
H20K H 0.2709 0.6899 -0.0703 0.0463(16) Uiso 1 1 calc R . .
H20L H 0.2504 0.6849 -0.1444 0.0463(16) Uiso 1 1 calc R . .
C210 C 0.1684(4) 0.6386(4) -0.0957(3) 0.0489(18) Uani 1 1 d . . .
H21D H 0.1402 0.6093 -0.1313 0.073(3) Uiso 1 1 calc R . .
H21E H 0.1559 0.6788 -0.0923 0.073(3) Uiso 1 1 calc R . .
H21F H 0.1607 0.6144 -0.0571 0.073(3) Uiso 1 1 calc R . .
C211 C 0.1324(3) 0.4402(3) -0.1145(3) 0.0433(16) Uani 1 1 d . . .
H21A H 0.1212 0.4815 -0.1204 0.0463(16) Uiso 1 1 calc R . .
H21B H 0.1186 0.4235 -0.0734 0.0463(16) Uiso 1 1 calc R . .
C212 C 0.0874(4) 0.3860(4) -0.1666(3) 0.0527(19) Uani 1 1 d . . .
H21C H 0.0394 0.3828 -0.1660 0.0463(16) Uiso 1 1 calc R . .
H21D H 0.1012 0.4027 -0.2078 0.0463(16) Uiso 1 1 calc R . .
C213 C 0.0514(5) 0.2823(4) -0.1106(4) 0.070(3) Uani 1 1 d . . .
H21E H 0.0021 0.2731 -0.1220 0.0463(16) Uiso 1 1 calc R . .
H21F H 0.0662 0.3127 -0.0724 0.0463(16) Uiso 1 1 calc R . .
C214 C 0.0616(6) 0.2172(5) -0.0958(5) 0.106(4) Uani 1 1 d . . .
H21G H 0.0400 0.1841 -0.1308 0.073(3) Uiso 1 1 calc R . .
H21H H 0.0409 0.2004 -0.0577 0.073(3) Uiso 1 1 calc R . .
H21I H 0.1105 0.2248 -0.0894 0.073(3) Uiso 1 1 calc R . .
C215 C 0.0619(5) 0.2787(5) -0.2250(4) 0.077(3) Uani 1 1 d . . .
H21G H 0.0185 0.2848 -0.2401 0.0463(16) Uiso 1 1 calc R . .
H21H H 0.0516 0.2301 -0.2187 0.0463(16) Uiso 1 1 calc R . .
C216 C 0.1103(5) 0.2998(5) -0.2752(4) 0.090(3) Uani 1 1 d . . .
H21J H 0.1218 0.3481 -0.2810 0.073(3) Uiso 1 1 calc R . .
H21K H 0.0881 0.2745 -0.3148 0.073(3) Uiso 1 1 calc R . .
H21L H 0.1520 0.2905 -0.2622 0.073(3) Uiso 1 1 calc R . .
C217 C 0.2110(4) 0.3719(3) 0.1519(3) 0.0461(18) Uani 1 1 d . . .
H21I H 0.2417 0.3472 0.1656 0.0463(16) Uiso 1 1 calc R . .
H21J H 0.1634 0.3420 0.1548 0.0463(16) Uiso 1 1 calc R . .
C218 C 0.1682(4) 0.4339(3) 0.2301(3) 0.0442(17) Uani 1 1 d . . .
H21K H 0.1823 0.4728 0.2609 0.0463(16) Uiso 1 1 calc R . .
H21L H 0.1530 0.3921 0.2531 0.0463(16) Uiso 1 1 calc R . .
C219 C 0.1096(4) 0.4367(3) 0.1829(4) 0.0506(19) Uani 1 1 d . . .
H21M H 0.0708 0.4360 0.2058 0.0463(16) Uiso 1 1 calc R . .
H21N H 0.0940 0.3960 0.1542 0.0463(16) Uiso 1 1 calc R . .
C220 C 0.1080(4) 0.5519(3) 0.1754(3) 0.0449(17) Uani 1 1 d . . .
H22C H 0.1303 0.5610 0.2191 0.0463(16) Uiso 1 1 calc R . .
H22D H 0.0581 0.5326 0.1772 0.0463(16) Uiso 1 1 calc R . .
C221 C 0.1246(4) 0.6196(3) 0.1428(4) 0.0504(18) Uani 1 1 d . . .
H22E H 0.1726 0.6359 0.1348 0.073(3) Uiso 1 1 calc R . .
H22F H 0.1164 0.6528 0.1700 0.073(3) Uiso 1 1 calc R . .
H22G H 0.0954 0.6129 0.1030 0.073(3) Uiso 1 1 calc R . .
C222 C 0.0940(4) 0.4807(4) 0.0768(3) 0.0483(17) Uani 1 1 d . . .
H22E H 0.1074 0.4446 0.0588 0.0463(16) Uiso 1 1 calc R . .
H22F H 0.1106 0.5203 0.0511 0.0463(16) Uiso 1 1 calc R . .
C223 C 0.0146(4) 0.4566(4) 0.0713(4) 0.066(2) Uani 1 1 d . . .
H22H H -0.0024 0.4189 0.0983 0.073(3) Uiso 1 1 calc R . .
H22I H -0.0041 0.4420 0.0277 0.073(3) Uiso 1 1 calc R . .
H22J H 0.0005 0.4937 0.0844 0.073(3) Uiso 1 1 calc R . .
C224 C 0.2928(4) 0.4466(3) 0.2382(3) 0.0462(18) Uani 1 1 d . . .
H22G H 0.2898 0.4048 0.2597 0.0463(16) Uiso 1 1 calc R . .
H22H H 0.2994 0.4828 0.2704 0.0463(16) Uiso 1 1 calc R . .
C225 C 0.3538(4) 0.4665(3) 0.1979(3) 0.0414(16) Uani 1 1 d . . .
H22I H 0.3964 0.4715 0.2250 0.0463(16) Uiso 1 1 calc R . .
H22J H 0.3463 0.4303 0.1654 0.0463(16) Uiso 1 1 calc R . .
C226 C 0.3938(3) 0.5346(4) 0.1062(3) 0.0408(16) Uani 1 1 d . . .
H22K H 0.3936 0.5755 0.0846 0.0463(16) Uiso 1 1 calc R . .
H22L H 0.3650 0.4952 0.0785 0.0463(16) Uiso 1 1 calc R . .
C227 C 0.4687(4) 0.5346(4) 0.1141(4) 0.0536(19) Uani 1 1 d . . .
H22M H 0.4987 0.5753 0.1385 0.073(3) Uiso 1 1 calc R . .
H22N H 0.4844 0.5337 0.0728 0.073(3) Uiso 1 1 calc R . .
H22O H 0.4700 0.4949 0.1361 0.073(3) Uiso 1 1 calc R . .
C228 C 0.4051(4) 0.5899(3) 0.2142(3) 0.0460(17) Uani 1 1 d . . .
H22M H 0.4487 0.5832 0.2274 0.0463(16) Uiso 1 1 calc R . .
H22N H 0.3809 0.5876 0.2518 0.0463(16) Uiso 1 1 calc R . .
C229 C 0.4207(4) 0.6609(3) 0.1877(4) 0.0536(19) Uani 1 1 d . . .
H22P H 0.4462 0.6641 0.1513 0.073(3) Uiso 1 1 calc R . .
H22Q H 0.4481 0.6953 0.2201 0.073(3) Uiso 1 1 calc R . .
H22R H 0.3778 0.6681 0.1749 0.073(3) Uiso 1 1 calc R . .
C230 C 0.2655(3) 0.5926(3) 0.0272(3) 0.0303(13) Uani 1 1 d . . .
C231 C 0.2648(3) 0.6356(3) 0.2588(3) 0.0331(14) Uani 1 1 d . . .
C301 C 0.2459(3) 0.3700(3) 0.5988(3) 0.0325(13) Uani 1 1 d . . .
C302 C 0.2481(3) 0.4196(3) 0.6439(3) 0.0352(14) Uani 1 1 d . . .
H302 H 0.2461 0.4155 0.6877 0.036(8) Uiso 1 1 calc R . .
C303 C 0.2543(3) 0.4773(3) 0.6089(3) 0.0323(13) Uani 1 1 d . . .
C304 C 0.2381(3) 0.2942(3) 0.5966(3) 0.0370(14) Uani 1 1 d . . .
H30A H 0.2604 0.2830 0.6356 0.0463(16) Uiso 1 1 calc R . .
H30B H 0.1894 0.2650 0.5911 0.0463(16) Uiso 1 1 calc R . .
C305 C 0.2483(4) 0.2130(3) 0.5139(3) 0.0412(16) Uani 1 1 d . . .
H30C H 0.1984 0.1920 0.5155 0.0463(16) Uiso 1 1 calc R . .
H30D H 0.2715 0.1866 0.5386 0.0463(16) Uiso 1 1 calc R . .
C306 C 0.2651(4) 0.2152(3) 0.4447(3) 0.0503(18) Uani 1 1 d . . .
H30E H 0.3149 0.2267 0.4439 0.0463(16) Uiso 1 1 calc R . .
H30F H 0.2415 0.1704 0.4230 0.0463(16) Uiso 1 1 calc R . .
C307 C 0.1652(5) 0.2328(4) 0.3909(4) 0.069(2) Uani 1 1 d . . .
H30G H 0.1599 0.1980 0.3577 0.0463(16) Uiso 1 1 calc R . .
H30H H 0.1445 0.2091 0.4273 0.0463(16) Uiso 1 1 calc R . .
C308 C 0.1275(7) 0.2711(6) 0.3693(6) 0.127(5) Uani 1 1 d . . .
H30I H 0.0799 0.2419 0.3578 0.073(3) Uiso 1 1 calc R . .
H30J H 0.1461 0.2942 0.3324 0.073(3) Uiso 1 1 calc R . .
H30K H 0.1296 0.3044 0.4022 0.073(3) Uiso 1 1 calc R . .
C309 C 0.2793(4) 0.2877(3) 0.3530(3) 0.0476(19) Uani 1 1 d . . .
H30I H 0.2569 0.3140 0.3270 0.0463(16) Uiso 1 1 calc R . .
H30J H 0.2740 0.2463 0.3279 0.0463(16) Uiso 1 1 calc R . .
C310 C 0.3557(4) 0.3294(4) 0.3665(3) 0.054(2) Uani 1 1 d . . .
H31A H 0.3616 0.3719 0.3888 0.073(3) Uiso 1 1 calc R . .
H31B H 0.3758 0.3386 0.3268 0.073(3) Uiso 1 1 calc R . .
H31C H 0.3786 0.3041 0.3924 0.073(3) Uiso 1 1 calc R . .
C311 C 0.3510(3) 0.3142(3) 0.5557(3) 0.0397(15) Uani 1 1 d . . .
H31A H 0.3633 0.3600 0.5753 0.0463(16) Uiso 1 1 calc R . .
H31B H 0.3718 0.3190 0.5158 0.0463(16) Uiso 1 1 calc R . .
C312 C 0.3845(4) 0.2740(4) 0.5995(3) 0.0481(17) Uani 1 1 d . . .
H31C H 0.3739 0.2288 0.5791 0.0463(16) Uiso 1 1 calc R . .
H31D H 0.4347 0.2968 0.6029 0.0463(16) Uiso 1 1 calc R . .
C313 C 0.3904(5) 0.3294(4) 0.7039(4) 0.067(2) Uani 1 1 d . . .
H31E H 0.3865 0.3663 0.6778 0.0463(16) Uiso 1 1 calc R . .
H31F H 0.4395 0.3396 0.7173 0.0463(16) Uiso 1 1 calc R . .
C314 C 0.3545(6) 0.3298(5) 0.7624(4) 0.089(3) Uani 1 1 d . . .
H31G H 0.3053 0.3173 0.7502 0.073(3) Uiso 1 1 calc R . .
H31H H 0.3724 0.3749 0.7830 0.073(3) Uiso 1 1 calc R . .
H31I H 0.3627 0.2975 0.7913 0.073(3) Uiso 1 1 calc R . .
C315 C 0.3853(5) 0.2113(4) 0.6928(4) 0.071(2) Uani 1 1 d . . .
H31G H 0.3791 0.2114 0.7379 0.0463(16) Uiso 1 1 calc R . .
H31H H 0.4344 0.2215 0.6894 0.0463(16) Uiso 1 1 calc R . .
C316 C 0.3442(5) 0.1398(4) 0.6622(5) 0.085(3) Uani 1 1 d . . .
H31J H 0.2956 0.1338 0.6554 0.073(3) Uiso 1 1 calc R . .
H31K H 0.3505 0.1057 0.6900 0.073(3) Uiso 1 1 calc R . .
H31L H 0.3606 0.1348 0.6219 0.073(3) Uiso 1 1 calc R . .
C317 C 0.2601(4) 0.5494(3) 0.6287(3) 0.0357(14) Uani 1 1 d . . .
H31I H 0.2217 0.5478 0.6525 0.0463(16) Uiso 1 1 calc R . .
H31J H 0.3032 0.5714 0.6562 0.0463(16) Uiso 1 1 calc R . .
C318 C 0.1943(4) 0.6039(3) 0.5603(3) 0.0393(15) Uani 1 1 d . . .
H31K H 0.1973 0.6362 0.5269 0.0463(16) Uiso 1 1 calc R . .
H31L H 0.1860 0.6238 0.5993 0.0463(16) Uiso 1 1 calc R . .
C319 C 0.1347(3) 0.5366(3) 0.5406(3) 0.0356(14) Uani 1 1 d . . .
H31M H 0.1329 0.5040 0.5735 0.0463(16) Uiso 1 1 calc R . .
H31N H 0.0908 0.5447 0.5366 0.0463(16) Uiso 1 1 calc R . .
C320 C 0.1094(3) 0.4303(3) 0.4748(3) 0.0373(14) Uani 1 1 d . . .
H32A H 0.1303 0.4122 0.5104 0.0463(16) Uiso 1 1 calc R . .
H32B H 0.1199 0.4124 0.4357 0.0463(16) Uiso 1 1 calc R . .
C321 C 0.0308(3) 0.4027(4) 0.4759(3) 0.0480(17) Uani 1 1 d . . .
H32C H 0.0191 0.4234 0.5120 0.073(3) Uiso 1 1 calc R . .
H32D H 0.0151 0.3538 0.4792 0.073(3) Uiso 1 1 calc R . .
H32E H 0.0087 0.4134 0.4372 0.073(3) Uiso 1 1 calc R . .
C322 C 0.1130(3) 0.5381(3) 0.4256(3) 0.0361(14) Uani 1 1 d . . .
H32C H 0.1358 0.5876 0.4295 0.0463(16) Uiso 1 1 calc R . .
H32D H 0.0641 0.5279 0.4302 0.0463(16) Uiso 1 1 calc R . .
C323 C 0.1195(4) 0.5123(3) 0.3586(3) 0.0416(16) Uani 1 1 d . . .
H32F H 0.1661 0.5132 0.3567 0.073(3) Uiso 1 1 calc R . .
H32G H 0.1090 0.5415 0.3273 0.073(3) Uiso 1 1 calc R . .
H32H H 0.0873 0.4662 0.3500 0.073(3) Uiso 1 1 calc R . .
C324 C 0.3210(4) 0.6516(3) 0.5731(3) 0.0397(16) Uani 1 1 d . . .
H32E H 0.3264 0.6784 0.6127 0.0463(16) Uiso 1 1 calc R . .
H32F H 0.3163 0.6797 0.5377 0.0463(16) Uiso 1 1 calc R . .
C325 C 0.3847(4) 0.6310(3) 0.5691(3) 0.0440(16) Uani 1 1 d . . .
H32G H 0.4259 0.6721 0.5700 0.0463(16) Uiso 1 1 calc R . .
H32H H 0.3907 0.6055 0.6061 0.0463(16) Uiso 1 1 calc R . .
C326 C 0.4092(4) 0.5346(4) 0.5236(3) 0.0490(18) Uani 1 1 d . . .
H32I H 0.4024 0.5054 0.4853 0.0463(16) Uiso 1 1 calc R . .
H32J H 0.3843 0.5061 0.5557 0.0463(16) Uiso 1 1 calc R . .
C327 C 0.4875(4) 0.5624(5) 0.5480(4) 0.063(2) Uani 1 1 d . . .
H32K H 0.5135 0.5862 0.5147 0.073(3) Uiso 1 1 calc R . .
H32L H 0.5024 0.5248 0.5599 0.073(3) Uiso 1 1 calc R . .
H32M H 0.4955 0.5934 0.5845 0.073(3) Uiso 1 1 calc R . .
C328 C 0.4139(4) 0.6332(3) 0.4598(3) 0.0404(15) Uani 1 1 d . . .
H32K H 0.4623 0.6563 0.4766 0.0463(16) Uiso 1 1 calc R . .
H32L H 0.3931 0.6682 0.4525 0.0463(16) Uiso 1 1 calc R . .
C329 C 0.4110(4) 0.5962(4) 0.3962(3) 0.0489(18) Uani 1 1 d . . .
H32N H 0.4421 0.5708 0.4004 0.073(3) Uiso 1 1 calc R . .
H32O H 0.4248 0.6292 0.3641 0.073(3) Uiso 1 1 calc R . .
H32P H 0.3644 0.5653 0.3837 0.073(3) Uiso 1 1 calc R . .
C330 C 0.2541(3) 0.4118(3) 0.4201(3) 0.0303(13) Uani 1 1 d . . .
C331 C 0.2618(3) 0.6494(3) 0.3833(3) 0.0299(13) Uani 1 1 d . . .
Cl1 Cl 0.36630(9) 0.85743(8) -0.15498(8) 0.0454(4) Uani 1 1 d . . .
Cl2 Cl 0.93830(9) 0.50024(9) 0.29119(7) 0.0431(4) Uani 1 1 d . . .
Cl3 Cl 0.44057(9) 0.17399(8) 0.48404(9) 0.0443(4) Uani 1 1 d . . .
Cl4 Cl 0.55307(10) 0.43153(10) 0.24068(9) 0.0520(4) Uani 1 1 d . . .
Cl5 Cl 0.01434(16) 0.76443(14) 0.91860(13) 0.0932(8) Uani 1 1 d . . .
Cl6 Cl 0.0479(3) 0.0613(2) 0.4139(4) 0.132(2) Uani 0.60 1 d P . .
Cl7 Cl 0.0636(3) 1.0416(3) 0.2959(3) 0.0690(15) Uani 0.40 1 d P . .
O1 O 0.2972(3) 0.8424(3) -0.1375(2) 0.0564(13) Uani 1 1 d . . .
O2 O 0.3682(3) 0.8769(3) -0.2206(2) 0.0635(15) Uani 1 1 d . . .
O3 O 0.4148(3) 0.9121(2) -0.1138(2) 0.0553(13) Uani 1 1 d . . .
O4 O 0.3840(3) 0.7973(3) -0.1491(3) 0.0748(17) Uani 1 1 d . . .
O5 O 0.8731(3) 0.5108(3) 0.2925(2) 0.0595(14) Uani 1 1 d . . .
O6 O 0.9930(3) 0.5656(2) 0.2979(3) 0.0581(14) Uani 1 1 d . . .
O7 O 0.9470(3) 0.4574(3) 0.3412(2) 0.0532(13) Uani 1 1 d . . .
O8 O 0.9379(3) 0.4670(2) 0.2301(2) 0.0559(13) Uani 1 1 d . . .
O9 O 0.4625(3) 0.1316(2) 0.4427(3) 0.0565(13) Uani 1 1 d . . .
O10 O 0.4511(3) 0.2401(2) 0.4567(2) 0.0524(13) Uani 1 1 d . . .
O11 O 0.4792(3) 0.1843(3) 0.5458(2) 0.0701(16) Uani 1 1 d . . .
O12 O 0.3677(3) 0.1418(2) 0.4900(3) 0.0668(16) Uani 1 1 d . . .
O13 O 0.5967(4) 0.4844(4) 0.2075(4) 0.1161(13) Uiso 1 1 d . . .
O14 O 0.5882(4) 0.3874(4) 0.2638(4) 0.1161(13) Uiso 1 1 d . . .
O15 O 0.4954(4) 0.3935(4) 0.1961(4) 0.1161(13) Uiso 1 1 d . . .
O16 O 0.5322(4) 0.4647(4) 0.2870(4) 0.1161(13) Uiso 1 1 d . . .
O17 O -0.0484(10) 0.7169(9) 0.9423(9) 0.064(2) Uiso 0.30 1 d P B 1
O18 O -0.0186(10) 0.7578(10) 0.8499(9) 0.064(2) Uiso 0.30 1 d P B 1
O19 O 0.0354(11) 0.8321(10) 0.9273(9) 0.064(2) Uiso 0.30 1 d P B 1
O20 O 0.0647(10) 0.7370(9) 0.9142(9) 0.064(2) Uiso 0.30 1 d P B 1
O117 O 0.0918(12) 0.7990(11) 0.9143(10) 0.042(3) Uiso 0.20 1 d P B 2
O119 O 0.0183(12) 0.7234(11) 0.9745(11) 0.042(3) Uiso 0.20 1 d P B 2
O118 O -0.0077(12) 0.7317(12) 0.8629(11) 0.042(3) Uiso 0.20 1 d P B 2
O120 O 0.0001(13) 0.8191(11) 0.9456(11) 0.042(3) Uiso 0.20 1 d P B 2
O21 O 0.0185(6) 0.1125(6) 0.3931(6) 0.0987(18) Uiso 0.60 1 d P . .
O22 O 0.1008(7) 0.0581(6) 0.3603(6) 0.0987(18) Uiso 0.60 1 d P . .
O23 O 0.0865(7) 0.0812(6) 0.4754(6) 0.0987(18) Uiso 0.60 1 d P . .
O24 O -0.0050(7) -0.0022(6) 0.4091(6) 0.0987(18) Uiso 0.60 1 d P . .
O25 O 0.0410(11) 1.0968(10) 0.2720(10) 0.113(3) Uiso 0.40 1 d P . .
O26 O 0.0177(11) 1.0045(10) 0.3439(10) 0.113(3) Uiso 0.40 1 d P . .
O27 O 0.0459(11) 0.9874(10) 0.2413(10) 0.113(3) Uiso 0.40 1 d P . .
O28 O 0.1316(12) 1.0711(10) 0.3203(11) 0.113(3) Uiso 0.40 1 d P . .
O50 O 0.2217(7) 0.2118(7) 0.1609(7) 0.038 Uiso 0.30 1 d P . .
O51 O -0.1156(10) 0.7795(9) 0.7814(9) 0.030 Uiso 0.20 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ni1 C30 87.9(2) . . ?
N1 Ni1 N4 166.2(2) . . ?
C30 Ni1 N4 100.2(2) . . ?
N1 Ni1 N3 83.5(2) . . ?
C30 Ni1 N3 169.4(2) . . ?
N4 Ni1 N3 89.5(2) . . ?
N2 Ni2 N10 176.8(2) . . ?
N2 Ni2 N6 78.94(19) . . ?
N10 Ni2 N6 98.01(18) . . ?
N2 Ni2 N9 91.42(19) . . ?
N10 Ni2 N9 91.59(18) . . ?
N6 Ni2 N9 170.15(18) . . ?
N2 Ni2 N7 90.43(19) . . ?
N10 Ni2 N7 90.14(19) . . ?
N6 Ni2 N7 83.76(19) . . ?
N9 Ni2 N7 98.50(19) . . ?
N2 Ni2 N8 91.3(2) . . ?
N10 Ni2 N8 87.41(19) . . ?
N6 Ni2 N8 82.9(2) . . ?
N9 Ni2 N8 95.3(2) . . ?
N7 Ni2 N8 166.00(19) . . ?
N101 Ni3 C130 89.0(2) . . ?
N101 Ni3 N104 165.2(2) . . ?
C130 Ni3 N104 99.6(2) . . ?
N101 Ni3 N103 83.7(2) . . ?
C130 Ni3 N103 169.8(3) . . ?
N104 Ni3 N103 89.1(2) . . ?
N110 Ni4 N102 175.73(19) . . ?
N110 Ni4 N106 96.91(19) . . ?
N102 Ni4 N106 79.16(18) . . ?
N110 Ni4 N109 91.40(19) . . ?
N102 Ni4 N109 92.42(18) . . ?
N106 Ni4 N109 171.1(2) . . ?
N110 Ni4 N107 89.6(2) . . ?
N102 Ni4 N107 91.6(2) . . ?
N106 Ni4 N107 83.4(2) . . ?
N109 Ni4 N107 100.0(2) . . ?
N110 Ni4 N108 87.2(2) . . ?
N102 Ni4 N108 90.6(2) . . ?
N106 Ni4 N108 83.0(2) . . ?
N109 Ni4 N108 94.21(19) . . ?
N107 Ni4 N108 165.50(18) . . ?
N201 Ni5 C230 87.6(2) . . ?
N201 Ni5 N203 83.3(2) . . ?
C230 Ni5 N203 166.6(2) . . ?
N201 Ni5 N204 167.4(2) . . ?
C230 Ni5 N204 101.1(2) . . ?
N203 Ni5 N204 89.6(2) . . ?
N202 Ni6 N210 177.46(19) . . ?
N202 Ni6 N206 79.29(19) . . ?
N210 Ni6 N206 98.19(19) . . ?
N202 Ni6 N209 91.20(18) . . ?
N210 Ni6 N209 91.31(18) . . ?
N206 Ni6 N209 170.36(18) . . ?
N202 Ni6 N207 91.2(2) . . ?
N210 Ni6 N207 88.8(2) . . ?
N206 Ni6 N207 82.9(2) . . ?
N209 Ni6 N207 98.99(19) . . ?
N202 Ni6 N208 89.74(19) . . ?
N210 Ni6 N208 89.6(2) . . ?
N206 Ni6 N208 82.9(2) . . ?
N209 Ni6 N208 95.65(19) . . ?
N207 Ni6 N208 165.30(18) . . ?
N301 Ni7 C330 88.5(2) . . ?
N301 Ni7 N304 166.8(2) . . ?
C330 Ni7 N304 101.0(2) . . ?
N301 Ni7 N303 83.0(2) . . ?
C330 Ni7 N303 166.3(2) . . ?
N304 Ni7 N303 89.2(2) . . ?
N302 Ni8 N310 177.35(18) . . ?
N302 Ni8 N306 79.82(18) . . ?
N310 Ni8 N306 97.54(18) . . ?
N302 Ni8 N309 90.77(18) . . ?
N310 Ni8 N309 91.87(18) . . ?
N306 Ni8 N309 170.41(19) . . ?
N302 Ni8 N307 89.98(19) . . ?
N310 Ni8 N307 89.48(19) . . ?
N306 Ni8 N307 83.50(18) . . ?
N309 Ni8 N307 94.73(18) . . ?
N302 Ni8 N308 91.72(19) . . ?
N310 Ni8 N308 88.2(2) . . ?
N306 Ni8 N308 83.18(19) . . ?
N309 Ni8 N308 99.09(18) . . ?
N307 Ni8 N308 166.06(17) . . ?
C331 Ni9 C131 176.3(3) . . ?
C331 Ni9 C231 89.9(2) . . ?
C131 Ni9 C231 89.9(2) . . ?
C331 Ni9 C31 91.0(2) . . ?
C131 Ni9 C31 89.4(2) . . ?
C231 Ni9 C31 175.9(3) . . ?
N2 N1 C1 108.4(5) . . ?
N2 N1 Ni1 134.4(4) . . ?
C1 N1 Ni1 117.1(4) . . ?
C3 N2 N1 108.2(5) . . ?
C3 N2 Ni2 118.8(4) . . ?
N1 N2 Ni2 132.3(4) . . ?
C5 N3 C4 114.5(5) . . ?
C5 N3 C11 111.7(6) . . ?
C4 N3 C11 110.5(6) . . ?
C5 N3 Ni1 106.0(4) . . ?
C4 N3 Ni1 107.8(4) . . ?
C11 N3 Ni1 105.7(4) . . ?
C7 N4 C9 108.1(6) . . ?
C7 N4 C6 110.4(5) . . ?
C9 N4 C6 111.9(6) . . ?
C7 N4 Ni1 119.3(4) . . ?
C9 N4 Ni1 100.8(4) . . ?
C6 N4 Ni1 106.0(4) . . ?
C15 N5 C12 116.6(8) . . ?
C15 N5 C13 116.6(8) . . ?
C12 N5 C13 107.8(8) . . ?
C24 N6 C18 114.3(5) . . ?
C24 N6 C17 110.3(5) . . ?
C18 N6 C17 110.9(5) . . ?
C24 N6 Ni2 103.2(4) . . ?
C18 N6 Ni2 103.6(4) . . ?
C17 N6 Ni2 114.2(3) . . ?
C22 N7 C19 110.4(5) . . ?
C22 N7 C20 111.3(5) . . ?
C19 N7 C20 107.1(5) . . ?
C22 N7 Ni2 110.7(4) . . ?
C19 N7 Ni2 102.6(4) . . ?
C20 N7 Ni2 114.4(4) . . ?
C28 N8 C26 110.8(5) . . ?
C28 N8 C25 107.5(5) . . ?
C26 N8 C25 111.1(5) . . ?
C28 N8 Ni2 114.8(4) . . ?
C26 N8 Ni2 110.3(4) . . ?
C25 N8 Ni2 102.0(4) . . ?
C30 N9 Ni2 112.0(4) . . ?
C31 N10 Ni2 168.6(5) . . ?
C101 N101 N102 109.1(4) . . ?
C101 N101 Ni3 117.8(4) . . ?
N102 N101 Ni3 132.9(4) . . ?
C103 N102 N101 106.9(5) . . ?
C103 N102 Ni4 119.7(4) . . ?
N101 N102 Ni4 132.9(3) . . ?
C111 N103 C105 113.3(5) . . ?
C111 N103 C104 110.6(5) . . ?
C105 N103 C104 112.4(5) . . ?
C111 N103 Ni3 105.2(4) . . ?
C105 N103 Ni3 106.4(4) . . ?
C104 N103 Ni3 108.4(3) . . ?
C109 N104 C106 109.4(5) . . ?
C109 N104 C107 110.5(6) . . ?
C106 N104 C107 112.2(6) . . ?
C109 N104 Ni3 117.2(4) . . ?
C106 N104 Ni3 106.9(4) . . ?
C107 N104 Ni3 100.4(4) . . ?
C112 N105 C113 110.3(7) . . ?
C112 N105 C115 115.1(6) . . ?
C113 N105 C115 118.2(7) . . ?
C112 N105 C115 102.5(12) . . ?
C113 N105 C115 84.7(14) . . ?
C115 N105 C115 46.8(14) . . ?
C118 N106 C117 111.3(5) . . ?
C118 N106 C124 114.3(5) . . ?
C117 N106 C124 110.9(5) . . ?
C118 N106 Ni4 103.7(4) . . ?
C117 N106 Ni4 113.1(3) . . ?
C124 N106 Ni4 103.1(3) . . ?
C122 N107 C120 109.5(5) . . ?
C122 N107 C119 107.5(5) . . ?
C120 N107 C119 110.5(5) . . ?
C122 N107 Ni4 115.3(4) . . ?
C120 N107 Ni4 111.3(4) . . ?
C119 N107 Ni4 102.4(4) . . ?
C125 N108 C128 108.3(4) . . ?
C125 N108 C126 110.2(5) . . ?
C128 N108 C126 110.2(5) . . ?
C125 N108 Ni4 101.3(4) . . ?
C128 N108 Ni4 115.6(4) . . ?
C126 N108 Ni4 110.8(4) . . ?
C130 N109 Ni4 111.2(4) . . ?
C131 N110 Ni4 166.0(5) . . ?
C201 N201 N202 107.9(5) . . ?
C201 N201 Ni5 117.8(4) . . ?
N202 N201 Ni5 133.9(4) . . ?
C203 N202 N201 107.4(4) . . ?
C203 N202 Ni6 119.7(4) . . ?
N201 N202 Ni6 132.8(4) . . ?
C205 N203 C204 113.3(5) . . ?
C205 N203 C211 113.2(5) . . ?
C204 N203 C211 110.2(5) . . ?
C205 N203 Ni5 106.7(4) . . ?
C204 N203 Ni5 107.9(4) . . ?
C211 N203 Ni5 104.9(4) . . ?
C207 N204 C209 109.7(5) . . ?
C207 N204 C206 106.9(5) . . ?
C209 N204 C206 109.3(5) . . ?
C207 N204 Ni5 109.5(4) . . ?
C209 N204 Ni5 115.3(4) . . ?
C206 N204 Ni5 105.8(4) . . ?
C212 N205 C213 110.2(6) . . ?
C212 N205 C215 110.1(7) . . ?
C213 N205 C215 111.9(6) . . ?
C224 N206 C218 112.6(5) . . ?
C224 N206 C217 110.4(5) . . ?
C218 N206 C217 111.7(5) . . ?
C224 N206 Ni6 104.9(4) . . ?
C218 N206 Ni6 103.0(4) . . ?
C217 N206 Ni6 114.0(4) . . ?
C220 N207 C219 107.5(5) . . ?
C220 N207 C222 110.8(5) . . ?
C219 N207 C222 108.9(5) . . ?
C220 N207 Ni6 115.7(4) . . ?
C219 N207 Ni6 102.5(4) . . ?
C222 N207 Ni6 110.9(4) . . ?
C226 N208 C225 110.2(5) . . ?
C226 N208 C228 112.0(5) . . ?
C225 N208 C228 106.8(5) . . ?
C226 N208 Ni6 111.0(4) . . ?
C225 N208 Ni6 102.4(4) . . ?
C228 N208 Ni6 114.0(4) . . ?
C230 N209 Ni6 112.9(4) . . ?
C231 N210 Ni6 168.9(5) . . ?
C301 N301 N302 109.1(4) . . ?
C301 N301 Ni7 118.1(4) . . ?
N302 N301 Ni7 132.8(4) . . ?
C303 N302 N301 106.8(4) . . ?
C303 N302 Ni8 118.8(4) . . ?
N301 N302 Ni8 134.2(3) . . ?
C305 N303 C311 112.7(5) . . ?
C305 N303 C304 112.5(5) . . ?
C311 N303 C304 110.7(5) . . ?
C305 N303 Ni7 107.9(4) . . ?
C311 N303 Ni7 104.0(4) . . ?
C304 N303 Ni7 108.6(4) . . ?
C306 N304 C309 109.8(5) . . ?
C306 N304 C307 105.7(6) . . ?
C309 N304 C307 109.4(6) . . ?
C306 N304 Ni7 107.2(4) . . ?
C309 N304 Ni7 115.7(4) . . ?
C307 N304 Ni7 108.6(4) . . ?
C312 N305 C315 109.7(6) . . ?
C312 N305 C313 113.1(6) . . ?
C315 N305 C313 111.9(6) . . ?
C318 N306 C324 113.4(5) . . ?
C318 N306 C317 111.0(5) . . ?
C324 N306 C317 111.5(5) . . ?
C318 N306 Ni8 103.8(4) . . ?
C324 N306 Ni8 103.3(3) . . ?
C317 N306 Ni8 113.5(3) . . ?
C322 N307 C319 108.2(4) . . ?
C322 N307 C320 110.8(5) . . ?
C319 N307 C320 110.2(5) . . ?
C322 N307 Ni8 114.5(4) . . ?
C319 N307 Ni8 102.0(4) . . ?
C320 N307 Ni8 110.8(3) . . ?
C326 N308 C328 111.2(5) . . ?
C326 N308 C325 108.7(5) . . ?
C328 N308 C325 108.1(5) . . ?
C326 N308 Ni8 110.1(4) . . ?
C328 N308 Ni8 115.1(4) . . ?
C325 N308 Ni8 103.1(4) . . ?
C330 N309 Ni8 112.0(4) . . ?
C331 N310 Ni8 168.8(4) . . ?
N1 C1 C2 108.5(5) . . ?
N1 C1 C4 113.7(6) . . ?
C2 C1 C4 137.7(6) . . ?
C1 C2 C3 105.2(5) . . ?
C1 C2 H2 127.4 . . ?
C3 C2 H2 127.4 . . ?
N2 C3 C2 109.7(5) . . ?
N2 C3 C17 117.6(5) . . ?
C2 C3 C17 132.7(5) . . ?
C1 C4 N3 106.5(5) . . ?
C1 C4 H4A 110.4 . . ?
N3 C4 H4A 110.4 . . ?
C1 C4 H4B 110.4 . . ?
N3 C4 H4B 110.4 . . ?
H4A C4 H4B 108.6 . . ?
N3 C5 C6 107.4(6) . . ?
N3 C5 H5A 110.2 . . ?
C6 C5 H5A 110.2 . . ?
N3 C5 H5B 110.2 . . ?
C6 C5 H5B 110.2 . . ?
H5A C5 H5B 108.5 . . ?
C5 C6 N4 108.0(6) . . ?
C5 C6 H6A 110.1 . . ?
N4 C6 H6A 110.1 . . ?
C5 C6 H6B 110.1 . . ?
N4 C6 H6B 110.1 . . ?
H6A C6 H6B 108.4 . . ?
N4 C7 C8 113.0(6) . . ?
N4 C7 H7A 109.0 . . ?
C8 C7 H7A 109.0 . . ?
N4 C7 H7B 109.0 . . ?
C8 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N4 C9 C10 116.2(7) . . ?
N4 C9 H9A 108.2 . . ?
C10 C9 H9A 108.2 . . ?
N4 C9 H9B 108.3 . . ?
C10 C9 H9B 108.3 . . ?
H9A C9 H9B 107.4 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N3 C11 C12 115.0(6) . . ?
N3 C11 H11A 108.5 . . ?
C12 C11 H11A 108.5 . . ?
N3 C11 H11B 108.5 . . ?
C12 C11 H11B 108.5 . . ?
H11A C11 H11B 107.5 . . ?
N5 C12 C11 114.1(7) . . ?
N5 C12 H12A 108.7 . . ?
C11 C12 H12A 108.7 . . ?
N5 C12 H12B 108.7 . . ?
C11 C12 H12B 108.7 . . ?
H12A C12 H12B 107.6 . . ?
C14 C13 N5 114.4(13) . . ?
C14 C13 H13A 108.7 . . ?
N5 C13 H13A 108.7 . . ?
C14 C13 H13B 108.6 . . ?
N5 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.4 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N5 C15 C16 116.4(11) . . ?
N5 C15 H15A 108.2 . . ?
C16 C15 H15A 108.2 . . ?
N5 C15 H15B 108.2 . . ?
C16 C15 H15B 108.2 . . ?
H15A C15 H15B 107.3 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C3 C17 N6 109.8(5) . . ?
C3 C17 H17A 109.7 . . ?
N6 C17 H17A 109.7 . . ?
C3 C17 H17B 109.7 . . ?
N6 C17 H17B 109.7 . . ?
H17A C17 H17B 108.2 . . ?
N6 C18 C19 108.0(5) . . ?
N6 C18 H18A 110.1 . . ?
C19 C18 H18A 110.1 . . ?
N6 C18 H18B 110.1 . . ?
C19 C18 H18B 110.1 . . ?
H18A C18 H18B 108.4 . . ?
N7 C19 C18 111.9(5) . . ?
N7 C19 H19A 109.2 . . ?
C18 C19 H19A 109.2 . . ?
N7 C19 H19B 109.2 . . ?
C18 C19 H19B 109.2 . . ?
H19A C19 H19B 107.9 . . ?
N7 C20 C21 113.5(5) . . ?
N7 C20 H20A 108.9 . . ?
C21 C20 H20A 108.9 . . ?
N7 C20 H20B 108.9 . . ?
C21 C20 H20B 108.9 . . ?
H20A C20 H20B 107.7 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N7 C22 C23 116.7(6) . . ?
N7 C22 H22A 108.1 . . ?
C23 C22 H22A 108.1 . . ?
N7 C22 H22B 108.1 . . ?
C23 C22 H22B 108.1 . . ?
H22A C22 H22B 107.3 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N6 C24 C25 109.8(5) . . ?
N6 C24 H24A 109.7 . . ?
C25 C24 H24A 109.7 . . ?
N6 C24 H24B 109.7 . . ?
C25 C24 H24B 109.7 . . ?
H24A C24 H24B 108.2 . . ?
C24 C25 N8 112.1(5) . . ?
C24 C25 H25A 109.2 . . ?
N8 C25 H25A 109.2 . . ?
C24 C25 H25B 109.2 . . ?
N8 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
N8 C26 C27 116.0(6) . . ?
N8 C26 H26A 108.3 . . ?
C27 C26 H26A 108.3 . . ?
N8 C26 H26B 108.3 . . ?
C27 C26 H26B 108.3 . . ?
H26A C26 H26B 107.4 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N8 C28 C29 115.8(5) . . ?
N8 C28 H28A 108.3 . . ?
C29 C28 H28A 108.3 . . ?
N8 C28 H28B 108.3 . . ?
C29 C28 H28B 108.3 . . ?
H28A C28 H28B 107.4 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N9 C30 Ni1 161.6(5) . . ?
N10 C31 Ni9 176.9(5) . . ?
N101 C101 C102 109.1(5) . . ?
N101 C101 C104 113.5(5) . . ?
C102 C101 C104 137.4(5) . . ?
C101 C102 C103 104.0(5) . . ?
C101 C102 H102 128.0 . . ?
C103 C102 H102 128.0 . . ?
N102 C103 C102 111.1(5) . . ?
N102 C103 C117 115.8(5) . . ?
C102 C103 C117 133.1(5) . . ?
N103 C104 C101 106.1(5) . . ?
N103 C104 H10A 110.5 . . ?
C101 C104 H10A 110.5 . . ?
N103 C104 H10B 110.5 . . ?
C101 C104 H10B 110.5 . . ?
H10A C104 H10B 108.7 . . ?
N103 C105 C106 106.6(6) . . ?
N103 C105 H10C 110.4 . . ?
C106 C105 H10C 110.4 . . ?
N103 C105 H10D 110.4 . . ?
C106 C105 H10D 110.4 . . ?
H10C C105 H10D 108.6 . . ?
N104 C106 C105 106.7(5) . . ?
N104 C106 H10E 110.4 . . ?
C105 C106 H10E 110.4 . . ?
N104 C106 H10F 110.4 . . ?
C105 C106 H10F 110.4 . . ?
H10E C106 H10F 108.6 . . ?
C108 C107 N104 115.7(7) . . ?
C108 C107 H10G 108.4 . . ?
N104 C107 H10G 108.4 . . ?
C108 C107 H10H 108.4 . . ?
N104 C107 H10H 108.4 . . ?
H10G C107 H10H 107.4 . . ?
C107 C108 H10I 109.5 . . ?
C107 C108 H10J 109.5 . . ?
H10I C108 H10J 109.5 . . ?
C107 C108 H10K 109.5 . . ?
H10I C108 H10K 109.5 . . ?
H10J C108 H10K 109.5 . . ?
C110 C109 N104 113.0(6) . . ?
C110 C109 H10I 109.0 . . ?
N104 C109 H10I 109.0 . . ?
C110 C109 H10J 109.0 . . ?
N104 C109 H10J 109.0 . . ?
H10I C109 H10J 107.8 . . ?
C109 C110 H11C 109.5 . . ?
C109 C110 H11D 109.5 . . ?
H11C C110 H11D 109.5 . . ?
C109 C110 H11E 109.5 . . ?
H11C C110 H11E 109.5 . . ?
H11D C110 H11E 109.5 . . ?
N103 C111 C112 116.0(7) . . ?
N103 C111 H11C 108.3 . . ?
C112 C111 H11C 108.3 . . ?
N103 C111 H11D 108.3 . . ?
C112 C111 H11D 108.3 . . ?
H11C C111 H11D 107.4 . . ?
N105 C112 C111 115.1(6) . . ?
N105 C112 H11E 108.5 . . ?
C111 C112 H11E 108.5 . . ?
N105 C112 H11F 108.5 . . ?
C111 C112 H11F 108.5 . . ?
H11E C112 H11F 107.5 . . ?
N105 C113 C114 112.4(8) . . ?
N105 C113 H11G 109.1 . . ?
C114 C113 H11G 109.1 . . ?
N105 C113 H11H 109.1 . . ?
C114 C113 H11H 109.1 . . ?
H11G C113 H11H 107.9 . . ?
C113 C114 H11I 109.5 . . ?
C113 C114 H11J 109.5 . . ?
H11I C114 H11J 109.5 . . ?
C113 C114 H11K 109.5 . . ?
H11I C114 H11K 109.5 . . ?
H11J C114 H11K 109.5 . . ?
C116 C115 N105 111.8(10) . . ?
C116 C115 H11I 109.2 . . ?
N105 C115 H11I 109.3 . . ?
C116 C115 H11J 109.3 . . ?
N105 C115 H11J 109.3 . . ?
H11I C115 H11J 107.9 . . ?
N105 C115 C116 93(2) . . ?
N105 C115 H11K 113.2 . . ?
C116 C115 H11K 113.1 . . ?
N105 C115 H11L 113.2 . . ?
C116 C115 H11L 113.1 . . ?
H11K C115 H11L 110.5 . . ?
C115 C116 H11R 109.5 . . ?
C115 C116 H11S 109.5 . . ?
H11R C116 H11S 109.5 . . ?
C115 C116 H11T 109.5 . . ?
H11R C116 H11T 109.5 . . ?
H11S C116 H11T 109.5 . . ?
C103 C117 N106 111.7(5) . . ?
C103 C117 H11M 109.3 . . ?
N106 C117 H11M 109.3 . . ?
C103 C117 H11N 109.3 . . ?
N106 C117 H11N 109.3 . . ?
H11M C117 H11N 107.9 . . ?
N106 C118 C119 108.6(5) . . ?
N106 C118 H11O 110.0 . . ?
C119 C118 H11O 110.0 . . ?
N106 C118 H11P 110.0 . . ?
C119 C118 H11P 110.0 . . ?
H11O C118 H11P 108.4 . . ?
C118 C119 N107 111.5(5) . . ?
C118 C119 H11Q 109.3 . . ?
N107 C119 H11Q 109.3 . . ?
C118 C119 H11R 109.3 . . ?
N107 C119 H11R 109.3 . . ?
H11Q C119 H11R 108.0 . . ?
C121 C120 N107 117.1(6) . . ?
C121 C120 H12C 108.0 . . ?
N107 C120 H12C 108.0 . . ?
C121 C120 H12D 108.0 . . ?
N107 C120 H12D 108.0 . . ?
H12C C120 H12D 107.3 . . ?
C120 C121 H12E 109.5 . . ?
C120 C121 H12F 109.5 . . ?
H12E C121 H12F 109.5 . . ?
C120 C121 H12G 109.5 . . ?
H12E C121 H12G 109.5 . . ?
H12F C121 H12G 109.5 . . ?
N107 C122 C123 114.1(6) . . ?
N107 C122 H12E 108.7 . . ?
C123 C122 H12E 108.7 . . ?
N107 C122 H12F 108.7 . . ?
C123 C122 H12F 108.7 . . ?
H12E C122 H12F 107.6 . . ?
C122 C123 H12H 109.5 . . ?
C122 C123 H12I 109.5 . . ?
H12H C123 H12I 109.5 . . ?
C122 C123 H12J 109.5 . . ?
H12H C123 H12J 109.5 . . ?
H12I C123 H12J 109.5 . . ?
N106 C124 C125 108.3(5) . . ?
N106 C124 H12G 110.0 . . ?
C125 C124 H12G 110.0 . . ?
N106 C124 H12H 110.0 . . ?
C125 C124 H12H 110.0 . . ?
H12G C124 H12H 108.4 . . ?
N108 C125 C124 113.6(6) . . ?
N108 C125 H12I 108.8 . . ?
C124 C125 H12I 108.9 . . ?
N108 C125 H12J 108.9 . . ?
C124 C125 H12J 108.9 . . ?
H12I C125 H12J 107.7 . . ?
N108 C126 C127 114.2(5) . . ?
N108 C126 H12K 108.7 . . ?
C127 C126 H12K 108.7 . . ?
N108 C126 H12L 108.7 . . ?
C127 C126 H12L 108.7 . . ?
H12K C126 H12L 107.6 . . ?
C126 C127 H12M 109.5 . . ?
C126 C127 H12N 109.5 . . ?
H12M C127 H12N 109.5 . . ?
C126 C127 H12O 109.5 . . ?
H12M C127 H12O 109.5 . . ?
H12N C127 H12O 109.5 . . ?
C129 C128 N108 115.2(5) . . ?
C129 C128 H12M 108.5 . . ?
N108 C128 H12M 108.5 . . ?
C129 C128 H12N 108.5 . . ?
N108 C128 H12N 108.5 . . ?
H12M C128 H12N 107.5 . . ?
C128 C129 H12P 109.5 . . ?
C128 C129 H12Q 109.5 . . ?
H12P C129 H12Q 109.5 . . ?
C128 C129 H12R 109.5 . . ?
H12P C129 H12R 109.5 . . ?
H12Q C129 H12R 109.5 . . ?
N109 C130 Ni3 160.7(5) . . ?
N110 C131 Ni9 171.5(6) . . ?
N201 C201 C202 110.0(5) . . ?
N201 C201 C204 112.4(5) . . ?
C202 C201 C204 137.6(5) . . ?
C201 C202 C203 103.7(5) . . ?
C201 C202 H202 128.2 . . ?
C203 C202 H202 128.2 . . ?
N202 C203 C202 111.0(5) . . ?
N202 C203 C217 116.9(5) . . ?
C202 C203 C217 132.1(5) . . ?
N203 C204 C201 105.3(5) . . ?
N203 C204 H20C 110.7 . . ?
C201 C204 H20C 110.7 . . ?
N203 C204 H20D 110.7 . . ?
C201 C204 H20D 110.7 . . ?
H20C C204 H20D 108.8 . . ?
N203 C205 C206 107.2(5) . . ?
N203 C205 H20E 110.3 . . ?
C206 C205 H20E 110.3 . . ?
N203 C205 H20F 110.3 . . ?
C206 C205 H20F 110.3 . . ?
H20E C205 H20F 108.5 . . ?
C205 C206 N204 110.5(5) . . ?
C205 C206 H20G 109.5 . . ?
N204 C206 H20G 109.6 . . ?
C205 C206 H20H 109.5 . . ?
N204 C206 H20H 109.6 . . ?
H20G C206 H20H 108.1 . . ?
N204 C207 C208 117.1(5) . . ?
N204 C207 H20I 108.0 . . ?
C208 C207 H20I 108.0 . . ?
N204 C207 H20J 108.0 . . ?
C208 C207 H20J 108.0 . . ?
H20I C207 H20J 107.3 . . ?
C207 C208 H20K 109.5 . . ?
C207 C208 H20L 109.5 . . ?
H20K C208 H20L 109.5 . . ?
C207 C208 H20M 109.5 . . ?
H20K C208 H20M 109.5 . . ?
H20L C208 H20M 109.5 . . ?
C210 C209 N204 114.7(5) . . ?
C210 C209 H20K 108.6 . . ?
N204 C209 H20K 108.6 . . ?
C210 C209 H20L 108.6 . . ?
N204 C209 H20L 108.6 . . ?
H20K C209 H20L 107.6 . . ?
C209 C210 H21D 109.5 . . ?
C209 C210 H21E 109.5 . . ?
H21D C210 H21E 109.5 . . ?
C209 C210 H21F 109.5 . . ?
H21D C210 H21F 109.5 . . ?
H21E C210 H21F 109.5 . . ?
N203 C211 C212 117.7(5) . . ?
N203 C211 H21A 107.9 . . ?
C212 C211 H21A 107.9 . . ?
N203 C211 H21B 107.9 . . ?
C212 C211 H21B 107.9 . . ?
H21A C211 H21B 107.2 . . ?
N205 C212 C211 117.6(6) . . ?
N205 C212 H21C 107.9 . . ?
C211 C212 H21C 107.9 . . ?
N205 C212 H21D 107.9 . . ?
C211 C212 H21D 107.9 . . ?
H21C C212 H21D 107.2 . . ?
N205 C213 C214 113.7(8) . . ?
N205 C213 H21E 108.8 . . ?
C214 C213 H21E 108.8 . . ?
N205 C213 H21F 108.8 . . ?
C214 C213 H21F 108.8 . . ?
H21E C213 H21F 107.7 . . ?
C213 C214 H21G 109.5 . . ?
C213 C214 H21H 109.5 . . ?
H21G C214 H21H 109.5 . . ?
C213 C214 H21I 109.5 . . ?
H21G C214 H21I 109.5 . . ?
H21H C214 H21I 109.5 . . ?
N205 C215 C216 113.8(7) . . ?
N205 C215 H21G 108.8 . . ?
C216 C215 H21G 108.8 . . ?
N205 C215 H21H 108.8 . . ?
C216 C215 H21H 108.8 . . ?
H21G C215 H21H 107.7 . . ?
C215 C216 H21J 109.5 . . ?
C215 C216 H21K 109.5 . . ?
H21J C216 H21K 109.5 . . ?
C215 C216 H21L 109.5 . . ?
H21J C216 H21L 109.5 . . ?
H21K C216 H21L 109.5 . . ?
C203 C217 N206 109.8(5) . . ?
C203 C217 H21I 109.7 . . ?
N206 C217 H21I 109.7 . . ?
C203 C217 H21J 109.7 . . ?
N206 C217 H21J 109.7 . . ?
H21I C217 H21J 108.2 . . ?
N206 C218 C219 108.9(5) . . ?
N206 C218 H21K 109.9 . . ?
C219 C218 H21K 109.9 . . ?
N206 C218 H21L 109.9 . . ?
C219 C218 H21L 109.9 . . ?
H21K C218 H21L 108.3 . . ?
C218 C219 N207 112.8(6) . . ?
C218 C219 H21M 109.0 . . ?
N207 C219 H21M 109.0 . . ?
C218 C219 H21N 109.0 . . ?
N207 C219 H21N 109.0 . . ?
H21M C219 H21N 107.8 . . ?
N207 C220 C221 115.1(5) . . ?
N207 C220 H22C 108.5 . . ?
C221 C220 H22C 108.5 . . ?
N207 C220 H22D 108.5 . . ?
C221 C220 H22D 108.5 . . ?
H22C C220 H22D 107.5 . . ?
C220 C221 H22E 109.5 . . ?
C220 C221 H22F 109.5 . . ?
H22E C221 H22F 109.5 . . ?
C220 C221 H22G 109.5 . . ?
H22E C221 H22G 109.5 . . ?
H22F C221 H22G 109.5 . . ?
N207 C222 C223 115.0(6) . . ?
N207 C222 H22E 108.5 . . ?
C223 C222 H22E 108.5 . . ?
N207 C222 H22F 108.5 . . ?
C223 C222 H22F 108.5 . . ?
H22E C222 H22F 107.5 . . ?
C222 C223 H22H 109.5 . . ?
C222 C223 H22I 109.5 . . ?
H22H C223 H22I 109.5 . . ?
C222 C223 H22J 109.5 . . ?
H22H C223 H22J 109.5 . . ?
H22I C223 H22J 109.5 . . ?
N206 C224 C225 108.0(5) . . ?
N206 C224 H22G 110.1 . . ?
C225 C224 H22G 110.1 . . ?
N206 C224 H22H 110.1 . . ?
C225 C224 H22H 110.1 . . ?
H22G C224 H22H 108.4 . . ?
N208 C225 C224 111.0(5) . . ?
N208 C225 H22I 109.4 . . ?
C224 C225 H22I 109.4 . . ?
N208 C225 H22J 109.4 . . ?
C224 C225 H22J 109.4 . . ?
H22I C225 H22J 108.0 . . ?
N208 C226 C227 115.5(5) . . ?
N208 C226 H22K 108.4 . . ?
C227 C226 H22K 108.4 . . ?
N208 C226 H22L 108.4 . . ?
C227 C226 H22L 108.4 . . ?
H22K C226 H22L 107.5 . . ?
C226 C227 H22M 109.5 . . ?
C226 C227 H22N 109.5 . . ?
H22M C227 H22N 109.5 . . ?
C226 C227 H22O 109.5 . . ?
H22M C227 H22O 109.5 . . ?
H22N C227 H22O 109.5 . . ?
N208 C228 C229 113.0(5) . . ?
N208 C228 H22M 109.0 . . ?
C229 C228 H22M 109.0 . . ?
N208 C228 H22N 109.0 . . ?
C229 C228 H22N 109.0 . . ?
H22M C228 H22N 107.8 . . ?
C228 C229 H22P 109.5 . . ?
C228 C229 H22Q 109.5 . . ?
H22P C229 H22Q 109.5 . . ?
C228 C229 H22R 109.5 . . ?
H22P C229 H22R 109.5 . . ?
H22Q C229 H22R 109.5 . . ?
N209 C230 Ni5 160.5(5) . . ?
N210 C231 Ni9 174.7(6) . . ?
N301 C301 C302 109.5(5) . . ?
N301 C301 C304 112.8(5) . . ?
C302 C301 C304 137.7(5) . . ?
C301 C302 C303 104.0(5) . . ?
C301 C302 H302 128.0 . . ?
C303 C302 H302 128.0 . . ?
N302 C303 C302 110.6(5) . . ?
N302 C303 C317 117.5(5) . . ?
C302 C303 C317 131.9(5) . . ?
N303 C304 C301 104.6(5) . . ?
N303 C304 H30A 110.8 . . ?
C301 C304 H30A 110.8 . . ?
N303 C304 H30B 110.8 . . ?
C301 C304 H30B 110.8 . . ?
H30A C304 H30B 108.9 . . ?
N303 C305 C306 106.7(5) . . ?
N303 C305 H30C 110.4 . . ?
C306 C305 H30C 110.4 . . ?
N303 C305 H30D 110.4 . . ?
C306 C305 H30D 110.4 . . ?
H30C C305 H30D 108.6 . . ?
N304 C306 C305 109.7(5) . . ?
N304 C306 H30E 109.7 . . ?
C305 C306 H30E 109.7 . . ?
N304 C306 H30F 109.7 . . ?
C305 C306 H30F 109.7 . . ?
H30E C306 H30F 108.2 . . ?
C308 C307 N304 119.0(8) . . ?
C308 C307 H30G 107.6 . . ?
N304 C307 H30G 107.6 . . ?
C308 C307 H30H 107.6 . . ?
N304 C307 H30H 107.6 . . ?
H30G C307 H30H 107.0 . . ?
C307 C308 H30I 109.5 . . ?
C307 C308 H30J 109.5 . . ?
H30I C308 H30J 109.5 . . ?
C307 C308 H30K 109.5 . . ?
H30I C308 H30K 109.5 . . ?
H30J C308 H30K 109.5 . . ?
N304 C309 C310 114.9(6) . . ?
N304 C309 H30I 108.5 . . ?
C310 C309 H30I 108.5 . . ?
N304 C309 H30J 108.5 . . ?
C310 C309 H30J 108.5 . . ?
H30I C309 H30J 107.5 . . ?
C309 C310 H31A 109.5 . . ?
C309 C310 H31B 109.5 . . ?
H31A C310 H31B 109.5 . . ?
C309 C310 H31C 109.5 . . ?
H31A C310 H31C 109.5 . . ?
H31B C310 H31C 109.5 . . ?
N303 C311 C312 117.3(5) . . ?
N303 C311 H31A 108.0 . . ?
C312 C311 H31A 108.0 . . ?
N303 C311 H31B 108.0 . . ?
C312 C311 H31B 108.0 . . ?
H31A C311 H31B 107.2 . . ?
N305 C312 C311 116.9(6) . . ?
N305 C312 H31C 108.1 . . ?
C311 C312 H31C 108.1 . . ?
N305 C312 H31D 108.1 . . ?
C311 C312 H31D 108.1 . . ?
H31C C312 H31D 107.3 . . ?
N305 C313 C314 116.0(8) . . ?
N305 C313 H31E 108.3 . . ?
C314 C313 H31E 108.3 . . ?
N305 C313 H31F 108.3 . . ?
C314 C313 H31F 108.3 . . ?
H31E C313 H31F 107.4 . . ?
C313 C314 H31G 109.5 . . ?
C313 C314 H31H 109.5 . . ?
H31G C314 H31H 109.5 . . ?
C313 C314 H31I 109.5 . . ?
H31G C314 H31I 109.5 . . ?
H31H C314 H31I 109.5 . . ?
N305 C315 C316 113.3(7) . . ?
N305 C315 H31G 108.9 . . ?
C316 C315 H31G 108.9 . . ?
N305 C315 H31H 108.9 . . ?
C316 C315 H31H 108.9 . . ?
H31G C315 H31H 107.7 . . ?
C315 C316 H31J 109.5 . . ?
C315 C316 H31K 109.5 . . ?
H31J C316 H31K 109.5 . . ?
C315 C316 H31L 109.5 . . ?
H31J C316 H31L 109.5 . . ?
H31K C316 H31L 109.5 . . ?
N306 C317 C303 109.9(4) . . ?
N306 C317 H31I 109.7 . . ?
C303 C317 H31I 109.7 . . ?
N306 C317 H31J 109.7 . . ?
C303 C317 H31J 109.7 . . ?
H31I C317 H31J 108.2 . . ?
N306 C318 C319 108.8(5) . . ?
N306 C318 H31K 109.9 . . ?
C319 C318 H31K 109.9 . . ?
N306 C318 H31L 109.9 . . ?
C319 C318 H31L 109.9 . . ?
H31K C318 H31L 108.3 . . ?
N307 C319 C318 110.9(5) . . ?
N307 C319 H31M 109.5 . . ?
C318 C319 H31M 109.5 . . ?
N307 C319 H31N 109.5 . . ?
C318 C319 H31N 109.5 . . ?
H31M C319 H31N 108.1 . . ?
N307 C320 C321 116.4(5) . . ?
N307 C320 H32A 108.2 . . ?
C321 C320 H32A 108.2 . . ?
N307 C320 H32B 108.2 . . ?
C321 C320 H32B 108.2 . . ?
H32A C320 H32B 107.3 . . ?
C320 C321 H32C 109.5 . . ?
C320 C321 H32D 109.5 . . ?
H32C C321 H32D 109.5 . . ?
C320 C321 H32E 109.5 . . ?
H32C C321 H32E 109.5 . . ?
H32D C321 H32E 109.5 . . ?
N307 C322 C323 113.5(5) . . ?
N307 C322 H32C 108.9 . . ?
C323 C322 H32C 108.9 . . ?
N307 C322 H32D 108.9 . . ?
C323 C322 H32D 108.9 . . ?
H32C C322 H32D 107.7 . . ?
C322 C323 H32F 109.5 . . ?
C322 C323 H32G 109.5 . . ?
H32F C323 H32G 109.5 . . ?
C322 C323 H32H 109.5 . . ?
H32F C323 H32H 109.5 . . ?
H32G C323 H32H 109.5 . . ?
N306 C324 C325 109.4(5) . . ?
N306 C324 H32E 109.8 . . ?
C325 C324 H32E 109.8 . . ?
N306 C324 H32F 109.8 . . ?
C325 C324 H32F 109.8 . . ?
H32E C324 H32F 108.2 . . ?
N308 C325 C324 111.6(5) . . ?
N308 C325 H32G 109.3 . . ?
C324 C325 H32G 109.3 . . ?
N308 C325 H32H 109.3 . . ?
C324 C325 H32H 109.3 . . ?
H32G C325 H32H 108.0 . . ?
N308 C326 C327 115.5(6) . . ?
N308 C326 H32I 108.4 . . ?
C327 C326 H32I 108.4 . . ?
N308 C326 H32J 108.4 . . ?
C327 C326 H32J 108.4 . . ?
H32I C326 H32J 107.5 . . ?
C326 C327 H32K 109.5 . . ?
C326 C327 H32L 109.5 . . ?
H32K C327 H32L 109.5 . . ?
C326 C327 H32M 109.5 . . ?
H32K C327 H32M 109.5 . . ?
H32L C327 H32M 109.5 . . ?
N308 C328 C329 113.9(5) . . ?
N308 C328 H32K 108.8 . . ?
C329 C328 H32K 108.8 . . ?
N308 C328 H32L 108.8 . . ?
C329 C328 H32L 108.8 . . ?
H32K C328 H32L 107.7 . . ?
C328 C329 H32N 109.5 . . ?
C328 C329 H32O 109.5 . . ?
H32N C329 H32O 109.5 . . ?
C328 C329 H32P 109.5 . . ?
H32N C329 H32P 109.5 . . ?
H32O C329 H32P 109.5 . . ?
N309 C330 Ni7 160.7(5) . . ?
N310 C331 Ni9 177.3(5) . . ?
O4 Cl1 O3 109.9(3) . . ?
O4 Cl1 O1 108.6(3) . . ?
O3 Cl1 O1 110.0(3) . . ?
O4 Cl1 O2 109.1(4) . . ?
O3 Cl1 O2 109.8(3) . . ?
O1 Cl1 O2 109.5(3) . . ?
O6 Cl2 O7 111.2(3) . . ?
O6 Cl2 O5 108.4(3) . . ?
O7 Cl2 O5 110.0(3) . . ?
O6 Cl2 O8 109.3(3) . . ?
O7 Cl2 O8 109.2(3) . . ?
O5 Cl2 O8 108.7(3) . . ?
O11 Cl3 O12 109.4(4) . . ?
O11 Cl3 O9 110.5(3) . . ?
O12 Cl3 O9 109.6(3) . . ?
O11 Cl3 O10 109.3(3) . . ?
O12 Cl3 O10 108.1(3) . . ?
O9 Cl3 O10 109.8(3) . . ?
O16 Cl4 O13 104.7(5) . . ?
O16 Cl4 O14 115.1(5) . . ?
O13 Cl4 O14 110.5(5) . . ?
O16 Cl4 O15 110.6(5) . . ?
O13 Cl4 O15 106.8(5) . . ?
O14 Cl4 O15 108.8(5) . . ?
O118 Cl5 O19 123.8(14) . . ?
O118 Cl5 O20 80.6(13) . . ?
O19 Cl5 O20 116.5(12) . . ?
O118 Cl5 O120 130.5(14) . . ?
O19 Cl5 O120 35.0(10) . . ?
O20 Cl5 O120 143.8(13) . . ?
O118 Cl5 O17 87.8(13) . . ?
O19 Cl5 O17 124.0(11) . . ?
O20 Cl5 O17 113.3(11) . . ?
O120 Cl5 O17 89.0(12) . . ?
O118 Cl5 O119 117.5(13) . . ?
O19 Cl5 O119 118.6(12) . . ?
O20 Cl5 O119 70.3(11) . . ?
O120 Cl5 O119 102.0(12) . . ?
O17 Cl5 O119 58.3(11) . . ?
O118 Cl5 O18 27.7(10) . . ?
O19 Cl5 O18 98.5(11) . . ?
O20 Cl5 O18 102.5(11) . . ?
O120 Cl5 O18 103.8(12) . . ?
O17 Cl5 O18 94.5(11) . . ?
O119 Cl5 O18 141.8(12) . . ?
O118 Cl5 O117 102.3(13) . . ?
O19 Cl5 O117 67.3(12) . . ?
O20 Cl5 O117 49.5(10) . . ?
O120 Cl5 O117 99.7(13) . . ?
O17 Cl5 O117 156.7(11) . . ?
O119 Cl5 O117 98.7(12) . . ?
O18 Cl5 O117 104.2(11) . . ?
O24 Cl6 O23 115.6(9) . . ?
O24 Cl6 O21 108.5(8) . . ?
O23 Cl6 O21 110.2(8) . . ?
O24 Cl6 O22 106.3(8) . . ?
O23 Cl6 O22 109.8(8) . . ?
O21 Cl6 O22 105.9(8) . . ?
O24 Cl6 O26 54.0(8) . 1_545 ?
O23 Cl6 O26 151.7(9) . 1_545 ?
O21 Cl6 O26 98.0(9) . 1_545 ?
O22 Cl6 O26 58.3(8) . 1_545 ?
O28 Cl7 O25 106.8(12) . . ?
O28 Cl7 O22 45.0(9) . 1_565 ?
O25 Cl7 O22 112.3(10) . 1_565 ?
O28 Cl7 O26 113.2(13) . . ?
O25 Cl7 O26 109.3(12) . . ?
O22 Cl7 O26 69.5(10) 1_565 . ?
O28 Cl7 O27 118.0(12) . . ?
O25 Cl7 O27 106.9(11) . . ?
O22 Cl7 O27 140.5(10) 1_565 . ?
O26 Cl7 O27 102.3(11) . . ?
O28 O22 Cl7 62.5(14) 1_545 1_545 ?
O28 O22 Cl6 160.8(17) 1_545 . ?
Cl7 O22 Cl6 111.4(9) 1_545 . ?
O28 O22 O26 116.8(18) 1_545 1_545 ?
Cl7 O22 O26 56.0(9) 1_545 1_545 ?
Cl6 O22 O26 64.7(9) . 1_545 ?
Cl6 O24 O26 77.1(11) . 1_545 ?
O24 O26 Cl7 152.3(17) 1_565 . ?
O24 O26 O22 100.6(14) 1_565 1_565 ?
Cl7 O26 O22 54.5(9) . 1_565 ?
O24 O26 Cl6 48.9(8) 1_565 1_565 ?
Cl7 O26 Cl6 103.4(12) . 1_565 ?
O22 O26 Cl6 57.0(8) 1_565 1_565 ?
O22 O28 Cl7 72.5(16) 1_565 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 N1 1.835(5) . ?
Ni1 C30 1.853(6) . ?
Ni1 N4 1.935(6) . ?
Ni1 N3 1.951(5) . ?
Ni2 N2 2.037(5) . ?
Ni2 N10 2.038(5) . ?
Ni2 N6 2.095(5) . ?
Ni2 N9 2.209(5) . ?
Ni2 N7 2.254(5) . ?
Ni2 N8 2.308(6) . ?
Ni3 N101 1.841(4) . ?
Ni3 C130 1.860(6) . ?
Ni3 N104 1.940(5) . ?
Ni3 N103 1.954(5) . ?
Ni4 N110 2.029(5) . ?
Ni4 N102 2.033(5) . ?
Ni4 N106 2.107(5) . ?
Ni4 N109 2.197(5) . ?
Ni4 N107 2.232(6) . ?
Ni4 N108 2.316(5) . ?
Ni5 N201 1.846(5) . ?
Ni5 C230 1.862(6) . ?
Ni5 N203 1.947(5) . ?
Ni5 N204 1.955(5) . ?
Ni6 N202 2.029(4) . ?
Ni6 N210 2.042(5) . ?
Ni6 N206 2.100(5) . ?
Ni6 N209 2.199(5) . ?
Ni6 N207 2.289(6) . ?
Ni6 N208 2.290(5) . ?
Ni7 N301 1.847(5) . ?
Ni7 C330 1.854(6) . ?
Ni7 N304 1.932(5) . ?
Ni7 N303 1.936(5) . ?
Ni8 N302 2.020(5) . ?
Ni8 N310 2.033(5) . ?
Ni8 N306 2.110(4) . ?
Ni8 N309 2.239(5) . ?
Ni8 N307 2.259(5) . ?
Ni8 N308 2.260(5) . ?
Ni9 C331 1.863(6) . ?
Ni9 C131 1.867(6) . ?
Ni9 C231 1.875(6) . ?
Ni9 C31 1.881(6) . ?
N1 N2 1.360(6) . ?
N1 C1 1.367(7) . ?
N2 C3 1.326(7) . ?
N3 C5 1.493(9) . ?
N3 C4 1.513(8) . ?
N3 C11 1.520(9) . ?
N4 C7 1.496(9) . ?
N4 C9 1.511(9) . ?
N4 C6 1.521(8) . ?
N5 C15 1.392(11) . ?
N5 C12 1.477(10) . ?
N5 C13 1.532(11) . ?
N6 C24 1.491(8) . ?
N6 C18 1.502(8) . ?
N6 C17 1.507(7) . ?
N7 C22 1.468(7) . ?
N7 C19 1.495(7) . ?
N7 C20 1.508(7) . ?
N8 C28 1.486(8) . ?
N8 C26 1.497(8) . ?
N8 C25 1.501(8) . ?
N9 C30 1.158(7) . ?
N10 C31 1.144(7) . ?
N101 C101 1.340(7) . ?
N101 N102 1.358(6) . ?
N102 C103 1.328(7) . ?
N103 C111 1.489(9) . ?
N103 C105 1.494(8) . ?
N103 C104 1.502(7) . ?
N104 C109 1.508(8) . ?
N104 C106 1.517(8) . ?
N104 C107 1.531(10) . ?
N105 C112 1.455(9) . ?
N105 C113 1.470(11) . ?
N105 C115 1.547(12) . ?
N105 C115 1.58(3) . ?
N106 C118 1.463(9) . ?
N106 C117 1.494(7) . ?
N106 C124 1.496(8) . ?
N107 C122 1.492(8) . ?
N107 C120 1.495(8) . ?
N107 C119 1.499(8) . ?
N108 C125 1.480(8) . ?
N108 C128 1.508(8) . ?
N108 C126 1.513(8) . ?
N109 C130 1.163(7) . ?
N110 C131 1.157(7) . ?
N201 C201 1.341(7) . ?
N201 N202 1.353(6) . ?
N202 C203 1.324(7) . ?
N203 C205 1.495(7) . ?
N203 C204 1.495(8) . ?
N203 C211 1.499(8) . ?
N204 C207 1.474(8) . ?
N204 C209 1.504(8) . ?
N204 C206 1.510(7) . ?
N205 C212 1.448(10) . ?
N205 C213 1.470(9) . ?
N205 C215 1.476(8) . ?
N206 C224 1.483(9) . ?
N206 C218 1.493(8) . ?
N206 C217 1.510(8) . ?
N207 C220 1.484(7) . ?
N207 C219 1.510(8) . ?
N207 C222 1.511(8) . ?
N208 C226 1.487(7) . ?
N208 C225 1.499(7) . ?
N208 C228 1.511(8) . ?
N209 C230 1.156(7) . ?
N210 C231 1.146(7) . ?
N301 C301 1.331(7) . ?
N301 N302 1.365(6) . ?
N302 C303 1.331(7) . ?
N303 C305 1.485(8) . ?
N303 C311 1.496(8) . ?
N303 C304 1.498(8) . ?
N304 C306 1.493(8) . ?
N304 C309 1.494(8) . ?
N304 C307 1.505(10) . ?
N305 C312 1.447(9) . ?
N305 C315 1.455(9) . ?
N305 C313 1.475(10) . ?
N306 C318 1.453(8) . ?
N306 C324 1.458(8) . ?
N306 C317 1.497(7) . ?
N307 C322 1.490(7) . ?
N307 C319 1.496(7) . ?
N307 C320 1.504(8) . ?
N308 C326 1.480(8) . ?
N308 C328 1.484(7) . ?
N308 C325 1.520(7) . ?
N309 C330 1.158(7) . ?
N310 C331 1.158(7) . ?
C1 C2 1.372(9) . ?
C1 C4 1.474(9) . ?
C2 C3 1.404(8) . ?
C2 H2 0.9300 . ?
C3 C17 1.486(8) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.499(10) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.517(11) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.514(10) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.526(10) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.441(18) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.433(15) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.506(9) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.535(8) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.534(9) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.493(10) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C27 1.531(11) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 C29 1.488(9) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C101 C102 1.384(8) . ?
C101 C104 1.530(8) . ?
C102 C103 1.385(8) . ?
C102 H102 0.9300 . ?
C103 C117 1.497(8) . ?
C104 H10A 0.9700 . ?
C104 H10B 0.9700 . ?
C105 C106 1.535(9) . ?
C105 H10C 0.9700 . ?
C105 H10D 0.9700 . ?
C106 H10E 0.9700 . ?
C106 H10F 0.9700 . ?
C107 C108 1.514(9) . ?
C107 H10G 0.9700 . ?
C107 H10H 0.9700 . ?
C108 H10I 0.9600 . ?
C108 H10J 0.9600 . ?
C108 H10K 0.9600 . ?
C109 C110 1.493(11) . ?
C109 H10I 0.9700 . ?
C109 H10J 0.9700 . ?
C110 H11C 0.9600 . ?
C110 H11D 0.9600 . ?
C110 H11E 0.9600 . ?
C111 C112 1.523(9) . ?
C111 H11C 0.9700 . ?
C111 H11D 0.9700 . ?
C112 H11E 0.9700 . ?
C112 H11F 0.9700 . ?
C113 C114 1.524(11) . ?
C113 H11G 0.9700 . ?
C113 H11H 0.9700 . ?
C114 H11I 0.9600 . ?
C114 H11J 0.9600 . ?
C114 H11K 0.9600 . ?
C115 C116 1.516(15) . ?
C115 H11I 0.9700 . ?
C115 H11J 0.9700 . ?
C115 C116 1.60(5) . ?
C115 H11K 0.9700 . ?
C115 H11L 0.9700 . ?
C116 H11O 0.9600 . ?
C116 H11P 0.9600 . ?
C116 H11Q 0.9600 . ?
C116 H11R 0.9600 . ?
C116 H11S 0.9600 . ?
C116 H11T 0.9600 . ?
C117 H11M 0.9700 . ?
C117 H11N 0.9700 . ?
C118 C119 1.490(10) . ?
C118 H11O 0.9700 . ?
C118 H11P 0.9700 . ?
C119 H11Q 0.9700 . ?
C119 H11R 0.9700 . ?
C120 C121 1.492(10) . ?
C120 H12C 0.9700 . ?
C120 H12D 0.9700 . ?
C121 H12E 0.9600 . ?
C121 H12F 0.9600 . ?
C121 H12G 0.9600 . ?
C122 C123 1.541(9) . ?
C122 H12E 0.9700 . ?
C122 H12F 0.9700 . ?
C123 H12H 0.9600 . ?
C123 H12I 0.9600 . ?
C123 H12J 0.9600 . ?
C124 C125 1.507(10) . ?
C124 H12G 0.9700 . ?
C124 H12H 0.9700 . ?
C125 H12I 0.9700 . ?
C125 H12J 0.9700 . ?
C126 C127 1.535(10) . ?
C126 H12K 0.9700 . ?
C126 H12L 0.9700 . ?
C127 H12M 0.9600 . ?
C127 H12N 0.9600 . ?
C127 H12O 0.9600 . ?
C128 C129 1.485(9) . ?
C128 H12M 0.9700 . ?
C128 H12N 0.9700 . ?
C129 H12P 0.9600 . ?
C129 H12Q 0.9600 . ?
C129 H12R 0.9600 . ?
C201 C202 1.371(8) . ?
C201 C204 1.516(8) . ?
C202 C203 1.376(8) . ?
C202 H202 0.9300 . ?
C203 C217 1.509(8) . ?
C204 H20C 0.9700 . ?
C204 H20D 0.9700 . ?
C205 C206 1.504(9) . ?
C205 H20E 0.9700 . ?
C205 H20F 0.9700 . ?
C206 H20G 0.9700 . ?
C206 H20H 0.9700 . ?
C207 C208 1.507(9) . ?
C207 H20I 0.9700 . ?
C207 H20J 0.9700 . ?
C208 H20K 0.9600 . ?
C208 H20L 0.9600 . ?
C208 H20M 0.9600 . ?
C209 C210 1.487(9) . ?
C209 H20K 0.9700 . ?
C209 H20L 0.9700 . ?
C210 H21D 0.9600 . ?
C210 H21E 0.9600 . ?
C210 H21F 0.9600 . ?
C211 C212 1.539(9) . ?
C211 H21A 0.9700 . ?
C211 H21B 0.9700 . ?
C212 H21C 0.9700 . ?
C212 H21D 0.9700 . ?
C213 C214 1.472(13) . ?
C213 H21E 0.9700 . ?
C213 H21F 0.9700 . ?
C214 H21G 0.9600 . ?
C214 H21H 0.9600 . ?
C214 H21I 0.9600 . ?
C215 C216 1.490(11) . ?
C215 H21G 0.9700 . ?
C215 H21H 0.9700 . ?
C216 H21J 0.9600 . ?
C216 H21K 0.9600 . ?
C216 H21L 0.9600 . ?
C217 H21I 0.9700 . ?
C217 H21J 0.9700 . ?
C218 C219 1.500(10) . ?
C218 H21K 0.9700 . ?
C218 H21L 0.9700 . ?
C219 H21M 0.9700 . ?
C219 H21N 0.9700 . ?
C220 C221 1.520(9) . ?
C220 H22C 0.9700 . ?
C220 H22D 0.9700 . ?
C221 H22E 0.9600 . ?
C221 H22F 0.9600 . ?
C221 H22G 0.9600 . ?
C222 C223 1.526(10) . ?
C222 H22E 0.9700 . ?
C222 H22F 0.9700 . ?
C223 H22H 0.9600 . ?
C223 H22I 0.9600 . ?
C223 H22J 0.9600 . ?
C224 C225 1.526(9) . ?
C224 H22G 0.9700 . ?
C224 H22H 0.9700 . ?
C225 H22I 0.9700 . ?
C225 H22J 0.9700 . ?
C226 C227 1.535(9) . ?
C226 H22K 0.9700 . ?
C226 H22L 0.9700 . ?
C227 H22M 0.9600 . ?
C227 H22N 0.9600 . ?
C227 H22O 0.9600 . ?
C228 C229 1.525(9) . ?
C228 H22M 0.9700 . ?
C228 H22N 0.9700 . ?
C229 H22P 0.9600 . ?
C229 H22Q 0.9600 . ?
C229 H22R 0.9600 . ?
C301 C302 1.379(8) . ?
C301 C304 1.528(8) . ?
C302 C303 1.390(8) . ?
C302 H302 0.9300 . ?
C303 C317 1.512(8) . ?
C304 H30A 0.9700 . ?
C304 H30B 0.9700 . ?
C305 C306 1.529(9) . ?
C305 H30C 0.9700 . ?
C305 H30D 0.9700 . ?
C306 H30E 0.9700 . ?
C306 H30F 0.9700 . ?
C307 C308 1.347(12) . ?
C307 H30G 0.9700 . ?
C307 H30H 0.9700 . ?
C308 H30I 0.9600 . ?
C308 H30J 0.9600 . ?
C308 H30K 0.9600 . ?
C309 C310 1.506(11) . ?
C309 H30I 0.9700 . ?
C309 H30J 0.9700 . ?
C310 H31A 0.9600 . ?
C310 H31B 0.9600 . ?
C310 H31C 0.9600 . ?
C311 C312 1.523(9) . ?
C311 H31A 0.9700 . ?
C311 H31B 0.9700 . ?
C312 H31C 0.9700 . ?
C312 H31D 0.9700 . ?
C313 C314 1.500(12) . ?
C313 H31E 0.9700 . ?
C313 H31F 0.9700 . ?
C314 H31G 0.9600 . ?
C314 H31H 0.9600 . ?
C314 H31I 0.9600 . ?
C315 C316 1.527(12) . ?
C315 H31G 0.9700 . ?
C315 H31H 0.9700 . ?
C316 H31J 0.9600 . ?
C316 H31K 0.9600 . ?
C316 H31L 0.9600 . ?
C317 H31I 0.9700 . ?
C317 H31J 0.9700 . ?
C318 C319 1.524(9) . ?
C318 H31K 0.9700 . ?
C318 H31L 0.9700 . ?
C319 H31M 0.9700 . ?
C319 H31N 0.9700 . ?
C320 C321 1.521(9) . ?
C320 H32A 0.9700 . ?
C320 H32B 0.9700 . ?
C321 H32C 0.9600 . ?
C321 H32D 0.9600 . ?
C321 H32E 0.9600 . ?
C322 C323 1.534(8) . ?
C322 H32C 0.9700 . ?
C322 H32D 0.9700 . ?
C323 H32F 0.9600 . ?
C323 H32G 0.9600 . ?
C323 H32H 0.9600 . ?
C324 C325 1.524(9) . ?
C324 H32E 0.9700 . ?
C324 H32F 0.9700 . ?
C325 H32G 0.9700 . ?
C325 H32H 0.9700 . ?
C326 C327 1.541(10) . ?
C326 H32I 0.9700 . ?
C326 H32J 0.9700 . ?
C327 H32K 0.9600 . ?
C327 H32L 0.9600 . ?
C327 H32M 0.9600 . ?
C328 C329 1.521(8) . ?
C328 H32K 0.9700 . ?
C328 H32L 0.9700 . ?
C329 H32N 0.9600 . ?
C329 H32O 0.9600 . ?
C329 H32P 0.9600 . ?
Cl1 O4 1.421(5) . ?
Cl1 O3 1.433(5) . ?
Cl1 O1 1.435(5) . ?
Cl1 O2 1.443(5) . ?
Cl2 O6 1.426(5) . ?
Cl2 O7 1.426(5) . ?
Cl2 O5 1.437(5) . ?
Cl2 O8 1.448(4) . ?
Cl3 O11 1.427(5) . ?
Cl3 O12 1.435(5) . ?
Cl3 O9 1.439(5) . ?
Cl3 O10 1.452(5) . ?
Cl4 O16 1.371(8) . ?
Cl4 O13 1.402(8) . ?
Cl4 O14 1.416(8) . ?
Cl4 O15 1.420(8) . ?
Cl5 O118 1.30(2) . ?
Cl5 O19 1.324(18) . ?
Cl5 O20 1.356(18) . ?
Cl5 O120 1.40(2) . ?
Cl5 O17 1.466(19) . ?
Cl5 O119 1.47(2) . ?
Cl5 O18 1.52(2) . ?
Cl5 O117 1.52(2) . ?
Cl6 O24 1.383(13) . ?
Cl6 O23 1.423(13) . ?
Cl6 O21 1.449(12) . ?
Cl6 O22 1.660(15) . ?
Cl6 O26 1.79(2) 1_545 ?
Cl7 O28 1.36(2) . ?
Cl7 O25 1.46(2) . ?
Cl7 O22 1.463(14) 1_565 ?
Cl7 O26 1.49(2) . ?
Cl7 O27 1.521(19) . ?
O22 O28 1.08(2) 1_545 ?
O22 Cl7 1.462(14) 1_545 ?
O22 O26 1.68(2) 1_545 ?
O24 O26 1.48(2) 1_545 ?
O26 O24 1.48(2) 1_565 ?
O26 O22 1.68(2) 1_565 ?
O26 Cl6 1.79(2) 1_565 ?
O28 O22 1.08(2) 1_565 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C30 Ni1 N1 N2 -6.6(6) . . . . ?
N4 Ni1 N1 N2 -132.9(8) . . . . ?
N3 Ni1 N1 N2 167.3(6) . . . . ?
C30 Ni1 N1 C1 169.2(5) . . . . ?
N4 Ni1 N1 C1 42.9(12) . . . . ?
N3 Ni1 N1 C1 -16.9(5) . . . . ?
C1 N1 N2 C3 0.7(7) . . . . ?
Ni1 N1 N2 C3 176.8(5) . . . . ?
C1 N1 N2 Ni2 -169.0(5) . . . . ?
Ni1 N1 N2 Ni2 7.0(9) . . . . ?
N10 Ni2 N2 C3 -10(4) . . . . ?
N6 Ni2 N2 C3 6.4(5) . . . . ?
N9 Ni2 N2 C3 -171.5(5) . . . . ?
N7 Ni2 N2 C3 90.0(5) . . . . ?
N8 Ni2 N2 C3 -76.1(5) . . . . ?
N10 Ni2 N2 N1 158(4) . . . . ?
N6 Ni2 N2 N1 175.3(6) . . . . ?
N9 Ni2 N2 N1 -2.6(6) . . . . ?
N7 Ni2 N2 N1 -101.1(6) . . . . ?
N8 Ni2 N2 N1 92.8(6) . . . . ?
N1 Ni1 N3 C5 151.9(5) . . . . ?
C30 Ni1 N3 C5 -172.7(13) . . . . ?
N4 Ni1 N3 C5 -16.2(5) . . . . ?
N1 Ni1 N3 C4 28.8(4) . . . . ?
C30 Ni1 N3 C4 64.2(15) . . . . ?
N4 Ni1 N3 C4 -139.3(5) . . . . ?
N1 Ni1 N3 C11 -89.4(5) . . . . ?
C30 Ni1 N3 C11 -54.0(15) . . . . ?
N4 Ni1 N3 C11 102.5(5) . . . . ?
N1 Ni1 N4 C7 163.7(8) . . . . ?
C30 Ni1 N4 C7 38.6(5) . . . . ?
N3 Ni1 N4 C7 -137.2(5) . . . . ?
N1 Ni1 N4 C9 45.7(11) . . . . ?
C30 Ni1 N4 C9 -79.4(4) . . . . ?
N3 Ni1 N4 C9 104.8(4) . . . . ?
N1 Ni1 N4 C6 -71.0(11) . . . . ?
C30 Ni1 N4 C6 163.9(5) . . . . ?
N3 Ni1 N4 C6 -11.9(5) . . . . ?
N2 Ni2 N6 C24 -121.7(4) . . . . ?
N10 Ni2 N6 C24 57.4(4) . . . . ?
N9 Ni2 N6 C24 -109.5(12) . . . . ?
N7 Ni2 N6 C24 146.6(4) . . . . ?
N8 Ni2 N6 C24 -29.0(4) . . . . ?
N2 Ni2 N6 C18 118.9(4) . . . . ?
N10 Ni2 N6 C18 -62.1(4) . . . . ?
N9 Ni2 N6 C18 131.0(11) . . . . ?
N7 Ni2 N6 C18 27.2(4) . . . . ?
N8 Ni2 N6 C18 -148.4(4) . . . . ?
N2 Ni2 N6 C17 -1.9(4) . . . . ?
N10 Ni2 N6 C17 177.1(4) . . . . ?
N9 Ni2 N6 C17 10.2(14) . . . . ?
N7 Ni2 N6 C17 -93.6(4) . . . . ?
N8 Ni2 N6 C17 90.8(4) . . . . ?
N2 Ni2 N7 C22 41.3(4) . . . . ?
N10 Ni2 N7 C22 -141.9(4) . . . . ?
N6 Ni2 N7 C22 120.1(4) . . . . ?
N9 Ni2 N7 C22 -50.2(4) . . . . ?
N8 Ni2 N7 C22 138.3(7) . . . . ?
N2 Ni2 N7 C19 -76.5(4) . . . . ?
N10 Ni2 N7 C19 100.4(3) . . . . ?
N6 Ni2 N7 C19 2.4(3) . . . . ?
N9 Ni2 N7 C19 -168.0(3) . . . . ?
N8 Ni2 N7 C19 20.6(9) . . . . ?
N2 Ni2 N7 C20 168.0(4) . . . . ?
N10 Ni2 N7 C20 -15.1(4) . . . . ?
N6 Ni2 N7 C20 -113.2(4) . . . . ?
N9 Ni2 N7 C20 76.5(4) . . . . ?
N8 Ni2 N7 C20 -95.0(8) . . . . ?
N2 Ni2 N8 C28 -164.8(4) . . . . ?
N10 Ni2 N8 C28 18.1(4) . . . . ?
N6 Ni2 N8 C28 116.5(4) . . . . ?
N9 Ni2 N8 C28 -73.2(4) . . . . ?
N7 Ni2 N8 C28 98.3(8) . . . . ?
N2 Ni2 N8 C26 -38.8(5) . . . . ?
N10 Ni2 N8 C26 144.1(5) . . . . ?
N6 Ni2 N8 C26 -117.4(5) . . . . ?
N9 Ni2 N8 C26 52.8(5) . . . . ?
N7 Ni2 N8 C26 -135.7(7) . . . . ?
N2 Ni2 N8 C25 79.3(4) . . . . ?
N10 Ni2 N8 C25 -97.8(4) . . . . ?
N6 Ni2 N8 C25 0.6(4) . . . . ?
N9 Ni2 N8 C25 170.9(4) . . . . ?
N7 Ni2 N8 C25 -17.6(9) . . . . ?
N2 Ni2 N9 C30 1.2(5) . . . . ?
N10 Ni2 N9 C30 -177.7(5) . . . . ?
N6 Ni2 N9 C30 -10.7(15) . . . . ?
N7 Ni2 N9 C30 91.9(5) . . . . ?
N8 Ni2 N9 C30 -90.2(5) . . . . ?
N2 Ni2 N10 C31 -159(3) . . . . ?
N6 Ni2 N10 C31 -176(3) . . . . ?
N9 Ni2 N10 C31 2(3) . . . . ?
N7 Ni2 N10 C31 101(3) . . . . ?
N8 Ni2 N10 C31 -93(3) . . . . ?
C130 Ni3 N101 C101 -169.1(5) . . . . ?
N104 Ni3 N101 C101 -43.4(11) . . . . ?
N103 Ni3 N101 C101 18.0(5) . . . . ?
C130 Ni3 N101 N102 3.5(5) . . . . ?
N104 Ni3 N101 N102 129.2(9) . . . . ?
N103 Ni3 N101 N102 -169.4(5) . . . . ?
C101 N101 N102 C103 0.1(7) . . . . ?
Ni3 N101 N102 C103 -173.0(4) . . . . ?
C101 N101 N102 Ni4 171.0(5) . . . . ?
Ni3 N101 N102 Ni4 -2.2(8) . . . . ?
N110 Ni4 N102 C103 18(3) . . . . ?
N106 Ni4 N102 C103 -5.7(5) . . . . ?
N109 Ni4 N102 C103 171.3(5) . . . . ?
N107 Ni4 N102 C103 -88.7(5) . . . . ?
N108 Ni4 N102 C103 77.0(5) . . . . ?
N110 Ni4 N102 N101 -152(3) . . . . ?
N106 Ni4 N102 N101 -175.6(6) . . . . ?
N109 Ni4 N102 N101 1.4(5) . . . . ?
N107 Ni4 N102 N101 101.5(5) . . . . ?
N108 Ni4 N102 N101 -92.9(5) . . . . ?
N101 Ni3 N103 C111 89.6(4) . . . . ?
C130 Ni3 N103 C111 45.2(15) . . . . ?
N104 Ni3 N103 C111 -103.4(4) . . . . ?
N101 Ni3 N103 C105 -149.9(5) . . . . ?
C130 Ni3 N103 C105 165.8(12) . . . . ?
N104 Ni3 N103 C105 17.1(5) . . . . ?
N101 Ni3 N103 C104 -28.7(4) . . . . ?
C130 Ni3 N103 C104 -73.1(15) . . . . ?
N104 Ni3 N103 C104 138.3(4) . . . . ?
N101 Ni3 N104 C109 -163.8(7) . . . . ?
C130 Ni3 N104 C109 -39.2(6) . . . . ?
N103 Ni3 N104 C109 135.4(5) . . . . ?
N101 Ni3 N104 C106 73.1(10) . . . . ?
C130 Ni3 N104 C106 -162.3(5) . . . . ?
N103 Ni3 N104 C106 12.4(5) . . . . ?
N101 Ni3 N104 C107 -44.1(10) . . . . ?
C130 Ni3 N104 C107 80.5(4) . . . . ?
N103 Ni3 N104 C107 -104.9(4) . . . . ?
N110 Ni4 N106 C118 62.6(4) . . . . ?
N102 Ni4 N106 C118 -119.1(4) . . . . ?
N109 Ni4 N106 C118 -139.1(13) . . . . ?
N107 Ni4 N106 C118 -26.1(4) . . . . ?
N108 Ni4 N106 C118 148.9(4) . . . . ?
N110 Ni4 N106 C117 -176.7(5) . . . . ?
N102 Ni4 N106 C117 1.6(4) . . . . ?
N109 Ni4 N106 C117 -18.4(16) . . . . ?
N107 Ni4 N106 C117 94.5(5) . . . . ?
N108 Ni4 N106 C117 -90.4(5) . . . . ?
N110 Ni4 N106 C124 -56.9(4) . . . . ?
N102 Ni4 N106 C124 121.5(4) . . . . ?
N109 Ni4 N106 C124 101.4(13) . . . . ?
N107 Ni4 N106 C124 -145.6(4) . . . . ?
N108 Ni4 N106 C124 29.4(4) . . . . ?
N110 Ni4 N107 C122 15.7(4) . . . . ?
N102 Ni4 N107 C122 -168.4(4) . . . . ?
N106 Ni4 N107 C122 112.7(4) . . . . ?
N109 Ni4 N107 C122 -75.7(4) . . . . ?
N108 Ni4 N107 C122 92.7(8) . . . . ?
N110 Ni4 N107 C120 141.1(4) . . . . ?
N102 Ni4 N107 C120 -43.0(4) . . . . ?
N106 Ni4 N107 C120 -121.9(4) . . . . ?
N109 Ni4 N107 C120 49.8(4) . . . . ?
N108 Ni4 N107 C120 -141.9(7) . . . . ?
N110 Ni4 N107 C119 -100.8(4) . . . . ?
N102 Ni4 N107 C119 75.1(4) . . . . ?
N106 Ni4 N107 C119 -3.8(4) . . . . ?
N109 Ni4 N107 C119 167.9(4) . . . . ?
N108 Ni4 N107 C119 -23.8(9) . . . . ?
N110 Ni4 N108 C125 97.0(4) . . . . ?
N102 Ni4 N108 C125 -79.3(4) . . . . ?
N106 Ni4 N108 C125 -0.4(4) . . . . ?
N109 Ni4 N108 C125 -171.8(4) . . . . ?
N107 Ni4 N108 C125 19.7(9) . . . . ?
N110 Ni4 N108 C128 -19.8(4) . . . . ?
N102 Ni4 N108 C128 163.9(4) . . . . ?
N106 Ni4 N108 C128 -117.1(4) . . . . ?
N109 Ni4 N108 C128 71.4(4) . . . . ?
N107 Ni4 N108 C128 -97.1(8) . . . . ?
N110 Ni4 N108 C126 -146.1(4) . . . . ?
N102 Ni4 N108 C126 37.5(4) . . . . ?
N106 Ni4 N108 C126 116.5(4) . . . . ?
N109 Ni4 N108 C126 -54.9(4) . . . . ?
N107 Ni4 N108 C126 136.6(7) . . . . ?
N110 Ni4 N109 C130 173.9(5) . . . . ?
N102 Ni4 N109 C130 -4.2(5) . . . . ?
N106 Ni4 N109 C130 15.5(16) . . . . ?
N107 Ni4 N109 C130 -96.3(5) . . . . ?
N108 Ni4 N109 C130 86.6(5) . . . . ?
N102 Ni4 N110 C131 113(3) . . . . ?
N106 Ni4 N110 C131 136(2) . . . . ?
N109 Ni4 N110 C131 -41(2) . . . . ?
N107 Ni4 N110 C131 -141(2) . . . . ?
N108 Ni4 N110 C131 53(2) . . . . ?
C230 Ni5 N201 C201 -176.7(5) . . . . ?
N203 Ni5 N201 C201 13.3(5) . . . . ?
N204 Ni5 N201 C201 -42.8(13) . . . . ?
C230 Ni5 N201 N202 11.1(6) . . . . ?
N203 Ni5 N201 N202 -159.0(6) . . . . ?
N204 Ni5 N201 N202 144.9(9) . . . . ?
C201 N201 N202 C203 0.1(7) . . . . ?
Ni5 N201 N202 C203 173.0(5) . . . . ?
C201 N201 N202 Ni6 177.0(5) . . . . ?
Ni5 N201 N202 Ni6 -10.2(9) . . . . ?
N210 Ni6 N202 C203 7(5) . . . . ?
N206 Ni6 N202 C203 -0.2(5) . . . . ?
N209 Ni6 N202 C203 178.2(5) . . . . ?
N207 Ni6 N202 C203 -82.8(5) . . . . ?
N208 Ni6 N202 C203 82.6(5) . . . . ?
N210 Ni6 N202 N201 -169(5) . . . . ?
N206 Ni6 N202 N201 -176.8(6) . . . . ?
N209 Ni6 N202 N201 1.7(6) . . . . ?
N207 Ni6 N202 N201 100.7(6) . . . . ?
N208 Ni6 N202 N201 -94.0(6) . . . . ?
N201 Ni5 N203 C205 -151.5(4) . . . . ?
C230 Ni5 N203 C205 160.7(9) . . . . ?
N204 Ni5 N203 C205 18.1(4) . . . . ?
N201 Ni5 N203 C204 -29.4(4) . . . . ?
C230 Ni5 N203 C204 -77.2(11) . . . . ?
N204 Ni5 N203 C204 140.2(4) . . . . ?
N201 Ni5 N203 C211 88.1(4) . . . . ?
C230 Ni5 N203 C211 40.3(12) . . . . ?
N204 Ni5 N203 C211 -102.3(4) . . . . ?
N201 Ni5 N204 C207 -51.3(11) . . . . ?
C230 Ni5 N204 C207 81.5(4) . . . . ?
N203 Ni5 N204 C207 -106.7(4) . . . . ?
N201 Ni5 N204 C209 -175.5(9) . . . . ?
C230 Ni5 N204 C209 -42.7(5) . . . . ?
N203 Ni5 N204 C209 129.0(4) . . . . ?
N201 Ni5 N204 C206 63.6(12) . . . . ?
C230 Ni5 N204 C206 -163.6(4) . . . . ?
N203 Ni5 N204 C206 8.2(4) . . . . ?
N202 Ni6 N206 C224 117.7(4) . . . . ?
N210 Ni6 N206 C224 -62.0(4) . . . . ?
N209 Ni6 N206 C224 108.4(13) . . . . ?
N207 Ni6 N206 C224 -149.8(4) . . . . ?
N208 Ni6 N206 C224 26.6(4) . . . . ?
N202 Ni6 N206 C218 -124.3(4) . . . . ?
N210 Ni6 N206 C218 56.0(4) . . . . ?
N209 Ni6 N206 C218 -133.7(12) . . . . ?
N207 Ni6 N206 C218 -31.8(4) . . . . ?
N208 Ni6 N206 C218 144.6(4) . . . . ?
N202 Ni6 N206 C217 -3.2(4) . . . . ?
N210 Ni6 N206 C217 177.2(5) . . . . ?
N209 Ni6 N206 C217 -12.5(15) . . . . ?
N207 Ni6 N206 C217 89.4(5) . . . . ?
N208 Ni6 N206 C217 -94.3(5) . . . . ?
N202 Ni6 N207 C220 -160.4(4) . . . . ?
N210 Ni6 N207 C220 22.1(4) . . . . ?
N206 Ni6 N207 C220 120.5(4) . . . . ?
N209 Ni6 N207 C220 -69.0(4) . . . . ?
N208 Ni6 N207 C220 106.1(7) . . . . ?
N202 Ni6 N207 C219 83.0(4) . . . . ?
N210 Ni6 N207 C219 -94.5(4) . . . . ?
N206 Ni6 N207 C219 3.9(4) . . . . ?
N209 Ni6 N207 C219 174.4(4) . . . . ?
N208 Ni6 N207 C219 -10.5(9) . . . . ?
N202 Ni6 N207 C222 -33.2(4) . . . . ?
N210 Ni6 N207 C222 149.3(4) . . . . ?
N206 Ni6 N207 C222 -112.3(4) . . . . ?
N209 Ni6 N207 C222 58.2(4) . . . . ?
N208 Ni6 N207 C222 -126.7(7) . . . . ?
N202 Ni6 N208 C226 42.4(4) . . . . ?
N210 Ni6 N208 C226 -140.1(4) . . . . ?
N206 Ni6 N208 C226 121.6(4) . . . . ?
N209 Ni6 N208 C226 -48.8(4) . . . . ?
N207 Ni6 N208 C226 136.0(7) . . . . ?
N202 Ni6 N208 C225 -75.1(4) . . . . ?
N210 Ni6 N208 C225 102.4(4) . . . . ?
N206 Ni6 N208 C225 4.1(3) . . . . ?
N209 Ni6 N208 C225 -166.3(3) . . . . ?
N207 Ni6 N208 C225 18.5(9) . . . . ?
N202 Ni6 N208 C228 170.0(4) . . . . ?
N210 Ni6 N208 C228 -12.5(4) . . . . ?
N206 Ni6 N208 C228 -110.8(4) . . . . ?
N209 Ni6 N208 C228 78.8(4) . . . . ?
N207 Ni6 N208 C228 -96.4(8) . . . . ?
N202 Ni6 N209 C230 1.1(5) . . . . ?
N210 Ni6 N209 C230 -179.3(5) . . . . ?
N206 Ni6 N209 C230 10.2(15) . . . . ?
N207 Ni6 N209 C230 -90.3(5) . . . . ?
N208 Ni6 N209 C230 90.9(5) . . . . ?
N202 Ni6 N210 C231 -151(4) . . . . ?
N206 Ni6 N210 C231 -143(3) . . . . ?
N209 Ni6 N210 C231 38(3) . . . . ?
N207 Ni6 N210 C231 -61(3) . . . . ?
N208 Ni6 N210 C231 134(3) . . . . ?
C330 Ni7 N301 C301 175.2(5) . . . . ?
N304 Ni7 N301 C301 38.8(12) . . . . ?
N303 Ni7 N301 C301 -15.6(5) . . . . ?
C330 Ni7 N301 N302 -8.3(6) . . . . ?
N304 Ni7 N301 N302 -144.7(9) . . . . ?
N303 Ni7 N301 N302 161.0(6) . . . . ?
C301 N301 N302 C303 -0.5(7) . . . . ?
Ni7 N301 N302 C303 -177.3(5) . . . . ?
C301 N301 N302 Ni8 -174.9(4) . . . . ?
Ni7 N301 N302 Ni8 8.3(9) . . . . ?
N310 Ni8 N302 C303 -4(5) . . . . ?
N306 Ni8 N302 C303 1.0(5) . . . . ?
N309 Ni8 N302 C303 -177.2(5) . . . . ?
N307 Ni8 N302 C303 -82.4(5) . . . . ?
N308 Ni8 N302 C303 83.7(5) . . . . ?
N310 Ni8 N302 N301 170(4) . . . . ?
N306 Ni8 N302 N301 174.8(6) . . . . ?
N309 Ni8 N302 N301 -3.3(5) . . . . ?
N307 Ni8 N302 N301 91.4(5) . . . . ?
N308 Ni8 N302 N301 -102.4(5) . . . . ?
N301 Ni7 N303 C305 152.5(4) . . . . ?
C330 Ni7 N303 C305 -155.6(9) . . . . ?
N304 Ni7 N303 C305 -16.8(4) . . . . ?
N301 Ni7 N303 C311 -87.6(4) . . . . ?
C330 Ni7 N303 C311 -35.6(11) . . . . ?
N304 Ni7 N303 C311 103.1(4) . . . . ?
N301 Ni7 N303 C304 30.3(4) . . . . ?
C330 Ni7 N303 C304 82.2(11) . . . . ?
N304 Ni7 N303 C304 -139.0(4) . . . . ?
N301 Ni7 N304 C306 -63.4(11) . . . . ?
C330 Ni7 N304 C306 161.2(5) . . . . ?
N303 Ni7 N304 C306 -9.7(5) . . . . ?
N301 Ni7 N304 C309 173.7(8) . . . . ?
C330 Ni7 N304 C309 38.4(5) . . . . ?
N303 Ni7 N304 C309 -132.5(5) . . . . ?
N301 Ni7 N304 C307 50.3(12) . . . . ?
C330 Ni7 N304 C307 -85.1(5) . . . . ?
N303 Ni7 N304 C307 104.1(5) . . . . ?
N302 Ni8 N306 C318 -117.2(4) . . . . ?
N310 Ni8 N306 C318 62.6(4) . . . . ?
N309 Ni8 N306 C318 -105.9(12) . . . . ?
N307 Ni8 N306 C318 -26.0(4) . . . . ?
N308 Ni8 N306 C318 149.8(4) . . . . ?
N302 Ni8 N306 C324 124.2(4) . . . . ?
N310 Ni8 N306 C324 -56.0(4) . . . . ?
N309 Ni8 N306 C324 135.5(11) . . . . ?
N307 Ni8 N306 C324 -144.6(4) . . . . ?
N308 Ni8 N306 C324 31.2(4) . . . . ?
N302 Ni8 N306 C317 3.4(4) . . . . ?
N310 Ni8 N306 C317 -176.9(4) . . . . ?
N309 Ni8 N306 C317 14.7(14) . . . . ?
N307 Ni8 N306 C317 94.5(4) . . . . ?
N308 Ni8 N306 C317 -89.6(4) . . . . ?
N302 Ni8 N307 C322 -168.5(4) . . . . ?
N310 Ni8 N307 C322 14.1(4) . . . . ?
N306 Ni8 N307 C322 111.7(4) . . . . ?
N309 Ni8 N307 C322 -77.7(4) . . . . ?
N308 Ni8 N307 C322 94.4(8) . . . . ?
N302 Ni8 N307 C319 74.9(3) . . . . ?
N310 Ni8 N307 C319 -102.5(3) . . . . ?
N306 Ni8 N307 C319 -4.8(3) . . . . ?
N309 Ni8 N307 C319 165.7(3) . . . . ?
N308 Ni8 N307 C319 -22.2(9) . . . . ?
N302 Ni8 N307 C320 -42.3(4) . . . . ?
N310 Ni8 N307 C320 140.3(4) . . . . ?
N306 Ni8 N307 C320 -122.1(4) . . . . ?
N309 Ni8 N307 C320 48.5(4) . . . . ?
N308 Ni8 N307 C320 -139.4(7) . . . . ?
N302 Ni8 N308 C326 33.6(4) . . . . ?
N310 Ni8 N308 C326 -149.0(4) . . . . ?
N306 Ni8 N308 C326 113.2(4) . . . . ?
N309 Ni8 N308 C326 -57.4(4) . . . . ?
N307 Ni8 N308 C326 130.5(7) . . . . ?
N302 Ni8 N308 C328 160.3(4) . . . . ?
N310 Ni8 N308 C328 -22.4(4) . . . . ?
N306 Ni8 N308 C328 -120.2(4) . . . . ?
N309 Ni8 N308 C328 69.2(4) . . . . ?
N307 Ni8 N308 C328 -102.9(8) . . . . ?
N302 Ni8 N308 C325 -82.2(4) . . . . ?
N310 Ni8 N308 C325 95.1(4) . . . . ?
N306 Ni8 N308 C325 -2.7(4) . . . . ?
N309 Ni8 N308 C325 -173.3(4) . . . . ?
N307 Ni8 N308 C325 14.6(9) . . . . ?
N302 Ni8 N309 C330 2.6(5) . . . . ?
N310 Ni8 N309 C330 -177.1(5) . . . . ?
N306 Ni8 N309 C330 -8.6(14) . . . . ?
N307 Ni8 N309 C330 -87.5(5) . . . . ?
N308 Ni8 N309 C330 94.4(5) . . . . ?
N302 Ni8 N310 C331 -152(4) . . . . ?
N306 Ni8 N310 C331 -157(3) . . . . ?
N309 Ni8 N310 C331 21(3) . . . . ?
N307 Ni8 N310 C331 -74(3) . . . . ?
N308 Ni8 N310 C331 120(3) . . . . ?
N2 N1 C1 C2 -0.9(8) . . . . ?
Ni1 N1 C1 C2 -177.7(5) . . . . ?
N2 N1 C1 C4 176.5(6) . . . . ?
Ni1 N1 C1 C4 -0.3(8) . . . . ?
N1 C1 C2 C3 0.7(8) . . . . ?
C4 C1 C2 C3 -175.8(9) . . . . ?
N1 N2 C3 C2 -0.3(8) . . . . ?
Ni2 N2 C3 C2 171.1(5) . . . . ?
N1 N2 C3 C17 178.9(5) . . . . ?
Ni2 N2 C3 C17 -9.7(8) . . . . ?
C1 C2 C3 N2 -0.2(8) . . . . ?
C1 C2 C3 C17 -179.3(7) . . . . ?
N1 C1 C4 N3 23.4(9) . . . . ?
C2 C1 C4 N3 -160.2(9) . . . . ?
C5 N3 C4 C1 -152.4(6) . . . . ?
C11 N3 C4 C1 80.4(7) . . . . ?
Ni1 N3 C4 C1 -34.6(7) . . . . ?
C4 N3 C5 C6 159.9(6) . . . . ?
C11 N3 C5 C6 -73.5(7) . . . . ?
Ni1 N3 C5 C6 41.1(7) . . . . ?
N3 C5 C6 N4 -52.9(8) . . . . ?
C7 N4 C6 C5 168.4(6) . . . . ?
C9 N4 C6 C5 -71.2(7) . . . . ?
Ni1 N4 C6 C5 37.8(7) . . . . ?
C9 N4 C7 C8 160.2(5) . . . . ?
C6 N4 C7 C8 -77.2(7) . . . . ?
Ni1 N4 C7 C8 46.0(7) . . . . ?
C7 N4 C9 C10 68.2(8) . . . . ?
C6 N4 C9 C10 -53.6(8) . . . . ?
Ni1 N4 C9 C10 -165.9(6) . . . . ?
C5 N3 C11 C12 -41.2(8) . . . . ?
C4 N3 C11 C12 87.5(7) . . . . ?
Ni1 N3 C11 C12 -156.1(6) . . . . ?
C15 N5 C12 C11 -75.4(10) . . . . ?
C13 N5 C12 C11 151.3(9) . . . . ?
N3 C11 C12 N5 -60.0(10) . . . . ?
C15 N5 C13 C14 -66.8(15) . . . . ?
C12 N5 C13 C14 66.5(13) . . . . ?
C12 N5 C15 C16 168.7(10) . . . . ?
C13 N5 C15 C16 -62.0(15) . . . . ?
N2 C3 C17 N6 7.3(8) . . . . ?
C2 C3 C17 N6 -173.7(7) . . . . ?
C24 N6 C17 C3 113.8(6) . . . . ?
C18 N6 C17 C3 -118.6(6) . . . . ?
Ni2 N6 C17 C3 -2.0(6) . . . . ?
C24 N6 C18 C19 -165.1(5) . . . . ?
C17 N6 C18 C19 69.5(6) . . . . ?
Ni2 N6 C18 C19 -53.5(5) . . . . ?
C22 N7 C19 C18 -150.9(5) . . . . ?
C20 N7 C19 C18 87.7(6) . . . . ?
Ni2 N7 C19 C18 -33.0(5) . . . . ?
N6 C18 C19 N7 61.1(6) . . . . ?
C22 N7 C20 C21 60.6(7) . . . . ?
C19 N7 C20 C21 -178.6(5) . . . . ?
Ni2 N7 C20 C21 -65.7(6) . . . . ?
C19 N7 C22 C23 -62.7(7) . . . . ?
C20 N7 C22 C23 56.0(7) . . . . ?
Ni2 N7 C22 C23 -175.6(4) . . . . ?
C18 N6 C24 C25 167.4(5) . . . . ?
C17 N6 C24 C25 -66.8(6) . . . . ?
Ni2 N6 C24 C25 55.6(5) . . . . ?
N6 C24 C25 N8 -60.1(7) . . . . ?
C28 N8 C25 C24 -91.7(6) . . . . ?
C26 N8 C25 C24 146.9(6) . . . . ?
Ni2 N8 C25 C24 29.4(6) . . . . ?
C28 N8 C26 C27 -54.4(8) . . . . ?
C25 N8 C26 C27 65.0(8) . . . . ?
Ni2 N8 C26 C27 177.4(6) . . . . ?
C26 N8 C28 C29 -57.8(8) . . . . ?
C25 N8 C28 C29 -179.4(6) . . . . ?
Ni2 N8 C28 C29 68.0(7) . . . . ?
Ni2 N9 C30 Ni1 -9(2) . . . . ?
N1 Ni1 C30 N9 10.9(18) . . . . ?
N4 Ni1 C30 N9 180(100) . . . . ?
N3 Ni1 C30 N9 -24(3) . . . . ?
Ni2 N10 C31 Ni9 33(13) . . . . ?
C331 Ni9 C31 N10 -49(11) . . . . ?
C131 Ni9 C31 N10 134(11) . . . . ?
C231 Ni9 C31 N10 53(12) . . . . ?
N102 N101 C101 C102 0.5(7) . . . . ?
Ni3 N101 C101 C102 174.8(4) . . . . ?
N102 N101 C101 C104 -176.4(5) . . . . ?
Ni3 N101 C101 C104 -2.1(7) . . . . ?
N101 C101 C102 C103 -0.9(7) . . . . ?
C104 C101 C102 C103 174.9(7) . . . . ?
N101 N102 C103 C102 -0.7(7) . . . . ?
Ni4 N102 C103 C102 -173.0(4) . . . . ?
N101 N102 C103 C117 -179.3(5) . . . . ?
Ni4 N102 C103 C117 8.5(8) . . . . ?
C101 C102 C103 N102 1.0(8) . . . . ?
C101 C102 C103 C117 179.2(7) . . . . ?
C111 N103 C104 C101 -82.0(6) . . . . ?
C105 N103 C104 C101 150.2(5) . . . . ?
Ni3 N103 C104 C101 32.8(6) . . . . ?
N101 C101 C104 N103 -20.9(7) . . . . ?
C102 C101 C104 N103 163.4(7) . . . . ?
C111 N103 C105 C106 72.7(7) . . . . ?
C104 N103 C105 C106 -160.9(6) . . . . ?
Ni3 N103 C105 C106 -42.4(6) . . . . ?
C109 N104 C106 C105 -166.3(7) . . . . ?
C107 N104 C106 C105 70.6(7) . . . . ?
Ni3 N104 C106 C105 -38.5(7) . . . . ?
N103 C105 C106 N104 53.8(8) . . . . ?
C109 N104 C107 C108 -73.3(7) . . . . ?
C106 N104 C107 C108 49.1(7) . . . . ?
Ni3 N104 C107 C108 162.3(5) . . . . ?
C106 N104 C109 C110 76.5(7) . . . . ?
C107 N104 C109 C110 -159.4(6) . . . . ?
Ni3 N104 C109 C110 -45.3(7) . . . . ?
C105 N103 C111 C112 40.7(8) . . . . ?
C104 N103 C111 C112 -86.6(7) . . . . ?
Ni3 N103 C111 C112 156.5(5) . . . . ?
C113 N105 C112 C111 75.0(9) . . . . ?
C115 N105 C112 C111 -148.2(8) . . . . ?
C115 N105 C112 C111 163.9(16) . . . . ?
N103 C111 C112 N105 54.8(10) . . . . ?
C112 N105 C113 C114 -168.0(7) . . . . ?
C115 N105 C113 C114 56.7(10) . . . . ?
C115 N105 C113 C114 90.6(14) . . . . ?
C112 N105 C115 C116 -70.4(12) . . . . ?
C113 N105 C115 C116 62.9(11) . . . . ?
C115 N105 C115 C116 13.2(16) . . . . ?
C112 N105 C115 C116 80.1(19) . . . . ?
C113 N105 C115 C116 -170.3(18) . . . . ?
C115 N105 C115 C116 -32.8(14) . . . . ?
N102 C103 C117 N106 -6.5(9) . . . . ?
C102 C103 C117 N106 175.4(7) . . . . ?
C118 N106 C117 C103 118.2(6) . . . . ?
C124 N106 C117 C103 -113.3(6) . . . . ?
Ni4 N106 C117 C103 1.9(7) . . . . ?
C117 N106 C118 C119 -68.7(6) . . . . ?
C124 N106 C118 C119 164.6(5) . . . . ?
Ni4 N106 C118 C119 53.2(5) . . . . ?
N106 C118 C119 N107 -62.0(7) . . . . ?
C122 N107 C119 C118 -87.9(7) . . . . ?
C120 N107 C119 C118 152.7(6) . . . . ?
Ni4 N107 C119 C118 34.1(6) . . . . ?
C122 N107 C120 C121 -55.7(8) . . . . ?
C119 N107 C120 C121 62.6(8) . . . . ?
Ni4 N107 C120 C121 175.7(5) . . . . ?
C120 N107 C122 C123 -59.5(7) . . . . ?
C119 N107 C122 C123 -179.6(6) . . . . ?
Ni4 N107 C122 C123 66.9(7) . . . . ?
C118 N106 C124 C125 -167.2(5) . . . . ?
C117 N106 C124 C125 66.0(6) . . . . ?
Ni4 N106 C124 C125 -55.3(5) . . . . ?
C128 N108 C125 C124 91.5(6) . . . . ?
C126 N108 C125 C124 -147.9(6) . . . . ?
Ni4 N108 C125 C124 -30.6(6) . . . . ?
N106 C124 C125 N108 61.3(7) . . . . ?
C125 N108 C126 C127 -65.3(8) . . . . ?
C128 N108 C126 C127 54.1(7) . . . . ?
Ni4 N108 C126 C127 -176.6(5) . . . . ?
C125 N108 C128 C129 179.7(6) . . . . ?
C126 N108 C128 C129 59.1(7) . . . . ?
Ni4 N108 C128 C129 -67.5(6) . . . . ?
Ni4 N109 C130 Ni3 18.8(19) . . . . ?
N101 Ni3 C130 N109 -17.8(17) . . . . ?
N104 Ni3 C130 N109 174.3(17) . . . . ?
N103 Ni3 C130 N109 26(3) . . . . ?
Ni4 N110 C131 Ni9 -29(5) . . . . ?
C331 Ni9 C131 N110 -13(6) . . . . ?
C231 Ni9 C131 N110 -100(3) . . . . ?
C31 Ni9 C131 N110 84(3) . . . . ?
N202 N201 C201 C202 0.1(8) . . . . ?
Ni5 N201 C201 C202 -174.0(5) . . . . ?
N202 N201 C201 C204 -179.1(5) . . . . ?
Ni5 N201 C201 C204 6.7(7) . . . . ?
N201 C201 C202 C203 -0.3(8) . . . . ?
C204 C201 C202 C203 178.7(8) . . . . ?
N201 N202 C203 C202 -0.3(8) . . . . ?
Ni6 N202 C203 C202 -177.7(5) . . . . ?
N201 N202 C203 C217 -179.0(6) . . . . ?
Ni6 N202 C203 C217 3.7(8) . . . . ?
C201 C202 C203 N202 0.4(8) . . . . ?
C201 C202 C203 C217 178.8(7) . . . . ?
C205 N203 C204 C201 156.0(5) . . . . ?
C211 N203 C204 C201 -76.0(6) . . . . ?
Ni5 N203 C204 C201 38.0(6) . . . . ?
N201 C201 C204 N203 -29.5(7) . . . . ?
C202 C201 C204 N203 151.5(8) . . . . ?
C204 N203 C205 C206 -158.9(5) . . . . ?
C211 N203 C205 C206 74.6(6) . . . . ?
Ni5 N203 C205 C206 -40.3(6) . . . . ?
N203 C205 C206 N204 49.7(7) . . . . ?
C207 N204 C206 C205 83.2(6) . . . . ?
C209 N204 C206 C205 -158.1(5) . . . . ?
Ni5 N204 C206 C205 -33.5(6) . . . . ?
C209 N204 C207 C208 65.9(7) . . . . ?
C206 N204 C207 C208 -175.7(6) . . . . ?
Ni5 N204 C207 C208 -61.5(6) . . . . ?
C207 N204 C209 C210 -173.8(5) . . . . ?
C206 N204 C209 C210 69.2(7) . . . . ?
Ni5 N204 C209 C210 -49.7(6) . . . . ?
C205 N203 C211 C212 59.1(7) . . . . ?
C204 N203 C211 C212 -69.0(7) . . . . ?
Ni5 N203 C211 C212 175.1(5) . . . . ?
C213 N205 C212 C211 73.4(8) . . . . ?
C215 N205 C212 C211 -162.8(6) . . . . ?
N203 C211 C212 N205 64.5(8) . . . . ?
C212 N205 C213 C214 -169.5(7) . . . . ?
C215 N205 C213 C214 67.7(11) . . . . ?
C212 N205 C215 C216 74.3(10) . . . . ?
C213 N205 C215 C216 -162.9(9) . . . . ?
N202 C203 C217 N206 -6.0(9) . . . . ?
C202 C203 C217 N206 175.7(7) . . . . ?
C224 N206 C217 C203 -112.1(6) . . . . ?
C218 N206 C217 C203 121.8(6) . . . . ?
Ni6 N206 C217 C203 5.6(7) . . . . ?
C224 N206 C218 C219 169.1(5) . . . . ?
C217 N206 C218 C219 -66.1(6) . . . . ?
Ni6 N206 C218 C219 56.6(5) . . . . ?
N206 C218 C219 N207 -58.1(7) . . . . ?
C220 N207 C219 C218 -96.2(6) . . . . ?
C222 N207 C219 C218 143.7(6) . . . . ?
Ni6 N207 C219 C218 26.1(6) . . . . ?
C219 N207 C220 C221 179.9(6) . . . . ?
C222 N207 C220 C221 -61.2(8) . . . . ?
Ni6 N207 C220 C221 66.1(7) . . . . ?
C220 N207 C222 C223 -54.7(7) . . . . ?
C219 N207 C222 C223 63.3(7) . . . . ?
Ni6 N207 C222 C223 175.5(5) . . . . ?
C218 N206 C224 C225 -165.1(5) . . . . ?
C217 N206 C224 C225 69.4(6) . . . . ?
Ni6 N206 C224 C225 -53.8(5) . . . . ?
C226 N208 C225 C224 -152.4(6) . . . . ?
C228 N208 C225 C224 85.7(7) . . . . ?
Ni6 N208 C225 C224 -34.4(6) . . . . ?
N206 C224 C225 N208 62.1(7) . . . . ?
C225 N208 C226 C227 -64.0(7) . . . . ?
C228 N208 C226 C227 54.6(7) . . . . ?
Ni6 N208 C226 C227 -176.7(5) . . . . ?
C226 N208 C228 C229 56.3(7) . . . . ?
C225 N208 C228 C229 176.9(6) . . . . ?
Ni6 N208 C228 C229 -70.8(6) . . . . ?
Ni6 N209 C230 Ni5 9.1(19) . . . . ?
N201 Ni5 C230 N209 -14.1(17) . . . . ?
N203 Ni5 C230 N209 33(2) . . . . ?
N204 Ni5 C230 N209 175.1(16) . . . . ?
Ni6 N210 C231 Ni9 34(8) . . . . ?
C331 Ni9 C231 N210 118(6) . . . . ?
C131 Ni9 C231 N210 -66(6) . . . . ?
C31 Ni9 C231 N210 15(8) . . . . ?
N302 N301 C301 C302 -0.5(7) . . . . ?
Ni7 N301 C301 C302 176.9(4) . . . . ?
N302 N301 C301 C304 179.1(5) . . . . ?
Ni7 N301 C301 C304 -3.5(7) . . . . ?
N301 C301 C302 C303 1.2(7) . . . . ?
C304 C301 C302 C303 -178.2(7) . . . . ?
N301 N302 C303 C302 1.3(7) . . . . ?
Ni8 N302 C303 C302 176.7(4) . . . . ?
N301 N302 C303 C317 179.4(5) . . . . ?
Ni8 N302 C303 C317 -5.2(7) . . . . ?
C301 C302 C303 N302 -1.6(7) . . . . ?
C301 C302 C303 C317 -179.3(7) . . . . ?
C305 N303 C304 C301 -156.8(5) . . . . ?
C311 N303 C304 C301 76.2(6) . . . . ?
Ni7 N303 C304 C301 -37.4(6) . . . . ?
N301 C301 C304 N303 26.9(7) . . . . ?
C302 C301 C304 N303 -153.7(7) . . . . ?
C311 N303 C305 C306 -75.8(7) . . . . ?
C304 N303 C305 C306 158.2(5) . . . . ?
Ni7 N303 C305 C306 38.4(6) . . . . ?
C309 N304 C306 C305 160.2(6) . . . . ?
C307 N304 C306 C305 -81.8(7) . . . . ?
Ni7 N304 C306 C305 33.8(7) . . . . ?
N303 C305 C306 N304 -48.1(7) . . . . ?
C306 N304 C307 C308 168.5(10) . . . . ?
C309 N304 C307 C308 -73.4(11) . . . . ?
Ni7 N304 C307 C308 53.7(11) . . . . ?
C306 N304 C309 C310 -70.2(7) . . . . ?
C307 N304 C309 C310 174.2(5) . . . . ?
Ni7 N304 C309 C310 51.3(6) . . . . ?
C305 N303 C311 C312 -53.7(7) . . . . ?
C304 N303 C311 C312 73.2(7) . . . . ?
Ni7 N303 C311 C312 -170.3(5) . . . . ?
C315 N305 C312 C311 164.7(6) . . . . ?
C313 N305 C312 C311 -69.5(8) . . . . ?
N303 C311 C312 N305 -61.9(8) . . . . ?
C312 N305 C313 C314 161.6(7) . . . . ?
C315 N305 C313 C314 -73.9(9) . . . . ?
C312 N305 C315 C316 -68.8(9) . . . . ?
C313 N305 C315 C316 164.8(7) . . . . ?
C318 N306 C317 C303 109.9(6) . . . . ?
C324 N306 C317 C303 -122.6(5) . . . . ?
Ni8 N306 C317 C303 -6.5(6) . . . . ?
N302 C303 C317 N306 7.6(8) . . . . ?
C302 C303 C317 N306 -174.8(6) . . . . ?
C324 N306 C318 C319 164.8(5) . . . . ?
C317 N306 C318 C319 -68.8(6) . . . . ?
Ni8 N306 C318 C319 53.5(5) . . . . ?
C322 N307 C319 C318 -86.4(6) . . . . ?
C320 N307 C319 C318 152.4(5) . . . . ?
Ni8 N307 C319 C318 34.7(5) . . . . ?
N306 C318 C319 N307 -63.2(6) . . . . ?
C322 N307 C320 C321 -56.7(7) . . . . ?
C319 N307 C320 C321 62.9(7) . . . . ?
Ni8 N307 C320 C321 175.0(4) . . . . ?
C319 N307 C322 C323 179.7(5) . . . . ?
C320 N307 C322 C323 -59.4(7) . . . . ?
Ni8 N307 C322 C323 66.8(6) . . . . ?
C318 N306 C324 C325 -167.6(5) . . . . ?
C317 N306 C324 C325 66.3(6) . . . . ?
Ni8 N306 C324 C325 -55.9(5) . . . . ?
C326 N308 C325 C324 -143.2(6) . . . . ?
C328 N308 C325 C324 96.0(6) . . . . ?
Ni8 N308 C325 C324 -26.3(6) . . . . ?
N306 C324 C325 N308 58.0(7) . . . . ?
C328 N308 C326 C327 57.7(7) . . . . ?
C325 N308 C326 C327 -61.1(7) . . . . ?
Ni8 N308 C326 C327 -173.4(5) . . . . ?
C326 N308 C328 C329 60.8(7) . . . . ?
C325 N308 C328 C329 -180.0(5) . . . . ?
Ni8 N308 C328 C329 -65.3(6) . . . . ?
Ni8 N309 C330 Ni7 -15.5(18) . . . . ?
N301 Ni7 C330 N309 17.2(17) . . . . ?
N304 Ni7 C330 N309 -172.0(16) . . . . ?
N303 Ni7 C330 N309 -34(2) . . . . ?
Ni8 N310 C331 Ni9 -70(13) . . . . ?
C131 Ni9 C331 N310 -41(14) . . . . ?
C231 Ni9 C331 N310 46(12) . . . . ?
C31 Ni9 C331 N310 -138(12) . . . . ?
O24 Cl6 O22 O28 125(5) . . . 1_545 ?
O23 Cl6 O22 O28 -109(5) . . . 1_545 ?
O21 Cl6 O22 O28 10(6) . . . 1_545 ?
O26 Cl6 O22 O28 99(5) 1_545 . . 1_545 ?
O24 Cl6 O22 Cl7 57.6(10) . . . 1_545 ?
O23 Cl6 O22 Cl7 -176.7(8) . . . 1_545 ?
O21 Cl6 O22 Cl7 -57.8(10) . . . 1_545 ?
O26 Cl6 O22 Cl7 31.9(9) 1_545 . . 1_545 ?
O24 Cl6 O22 O26 25.7(10) . . . 1_545 ?
O23 Cl6 O22 O26 151.4(10) . . . 1_545 ?
O21 Cl6 O22 O26 -89.6(10) . . . 1_545 ?
O23 Cl6 O24 O26 -149.2(11) . . . 1_545 ?
O21 Cl6 O24 O26 86.4(11) . . . 1_545 ?
O22 Cl6 O24 O26 -27.1(11) . . . 1_545 ?
O28 Cl7 O26 O24 40(4) . . . 1_565 ?
O25 Cl7 O26 O24 -79(4) . . . 1_565 ?
O22 Cl7 O26 O24 29(3) 1_565 . . 1_565 ?
O27 Cl7 O26 O24 168(3) . . . 1_565 ?
O28 Cl7 O26 O22 11.6(13) . . . 1_565 ?
O25 Cl7 O26 O22 -107.3(11) . . . 1_565 ?
O27 Cl7 O26 O22 139.6(10) . . . 1_565 ?
O28 Cl7 O26 Cl6 42.3(15) . . . 1_565 ?
O25 Cl7 O26 Cl6 -76.6(13) . . . 1_565 ?
O22 Cl7 O26 Cl6 30.8(8) 1_565 . . 1_565 ?
O27 Cl7 O26 Cl6 170.3(10) . . . 1_565 ?
O25 Cl7 O28 O22 104.9(15) . . . 1_565 ?
O26 Cl7 O28 O22 -15.4(17) . . . 1_565 ?
O27 Cl7 O28 O22 -134.7(14) . . . 1_565 ?
