#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:43:04 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180401 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/70/7207055.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_7207055
loop_
_publ_author_name
'Kan, Wei-Qiu'
'Ma, Jian-Fang'
'Liu, Bo'
'Yang, Jin'
_publ_section_title
;
 A series of coordination polymers based on
 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid and structurally
 related N-donor ligands: syntheses, structures and properties
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              286
_journal_paper_doi               10.1039/c1ce05877k
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C29 H36 N4 Ni2 O15, 2(H2 O)'
_chemical_formula_sum            'C29 H40 N4 Ni2 O17'
_chemical_formula_weight         834.07
_chemical_name_systematic
;
?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.540(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.2776(4)
_cell_length_b                   22.1202(6)
_cell_length_c                   14.2690(4)
_cell_measurement_reflns_used    4199
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.2956
_cell_measurement_theta_min      3.0743
_cell_volume                     3870.7(2)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω 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  0.0213
_diffrn_reflns_av_sigmaI/netI    0.0423
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7517
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.22
_exptl_absorpt_coefficient_mu    1.047
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.99329
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.965
_refine_diff_density_min         -1.226
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.148
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         3545
_refine_ls_number_restraints     462
_refine_ls_restrained_S_all      1.148
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_gt           0.0607
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1100P)²+3.1982P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1770
_refine_ls_wR_factor_ref         0.1836
_reflns_number_gt                2640
_reflns_number_total             3545
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c1ce05877k.txt
_cod_data_source_block           compound-5
_cod_original_cell_volume        3870.72(19)
_cod_original_sg_symbol_H-M      c2/m
_cod_database_code               7207055
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ni1 Ni 0.7500 0.7500 0.5000 0.0318(3) Uani 1 2 d S
Ni2 Ni 1.01481(6) 1.0000 0.91185(5) 0.0275(3) Uani 1 2 d S
O2 O 0.6083(3) 0.71337(19) 0.6448(3) 0.0566(10) Uani 1 1 d .
O5 O 0.5956(3) 0.78519(19) 0.9826(3) 0.0552(10) Uani 1 1 d .
O3 O 0.8984(3) 0.93611(19) 0.8691(3) 0.0605(11) Uani 1 1 d .
C5 C 0.6471(4) 0.7995(2) 0.9185(3) 0.0406(8) Uani 1 1 d U
O4 O 0.8757(3) 0.93652(16) 1.0151(3) 0.0499(9) Uani 1 1 d .
C8 C 0.7603(4) 0.8368(2) 0.8022(4) 0.0418(8) Uani 1 1 d U
H8 H 0.7976 0.8496 0.7623 0.050 Uiso 1 1 calc R
C4 C 0.7176(4) 0.8478(2) 0.9495(3) 0.0392(8) Uani 1 1 d U
H4 H 0.7269 0.8677 1.0096 0.047 Uiso 1 1 calc R
C3 C 0.7750(4) 0.8669(2) 0.8910(3) 0.0388(8) Uani 1 1 d U
C6 C 0.6337(4) 0.7682(2) 0.8304(4) 0.0438(9) Uani 1 1 d U
H6 H 0.5878 0.7348 0.8110 0.053 Uiso 1 1 calc R
O1 O 0.7332(4) 0.7759(2) 0.6287(3) 0.0788(15) Uani 1 1 d .
C9 C 0.5241(4) 0.7353(2) 0.9600(4) 0.0404(9) Uani 1 1 d U
H9A H 0.5635 0.6980 0.9625 0.048 Uiso 1 1 calc R
H9B H 0.4673 0.7395 0.8929 0.048 Uiso 1 1 calc R
C7 C 0.6901(4) 0.7877(2) 0.7717(4) 0.0428(8) Uani 1 1 d U
C1 C 0.6759(4) 0.7562(2) 0.6739(4) 0.0484(10) Uani 1 1 d U
C2 C 0.8550(4) 0.9173(2) 0.9278(4) 0.0394(9) Uani 1 1 d U
N1 N 0.6671(10) 0.8189(6) 0.4079(9) 0.042(3) Uani 0.50 1 d P
N1' N 0.6420(9) 0.8220(5) 0.4401(9) 0.041(2) Uani 0.50 1 d P
N2 N 0.5638(7) 0.9000(3) 0.3456(5) 0.113(3) Uani 1 1 d .
C14 C 0.5691(9) 1.0000 0.2735(8) 0.0849(17) Uani 1 2 d SU
C12' C 0.6263(13) 0.8523(7) 0.3562(13) 0.0783(17) Uani 0.50 1 d PU
C12 C 0.6577(12) 0.8734(6) 0.4366(11) 0.0778(17) Uani 0.50 1 d PU
C10 C 0.6086(13) 0.8159(7) 0.3110(11) 0.0802(18) Uani 0.50 1 d PU
C10' C 0.5665(12) 0.8450(6) 0.4786(11) 0.0751(16) Uani 0.50 1 d PU
C11 C 0.5600(13) 0.8699(7) 0.2755(12) 0.0828(17) Uani 0.50 1 d PU
C11' C 0.5067(12) 0.8912(6) 0.4132(11) 0.0783(17) Uani 0.50 1 d PU
C13 C 0.5528(12) 0.9655(6) 0.3568(11) 0.0811(17) Uani 0.50 1 d PU
C13' C 0.5071(13) 0.9342(6) 0.2529(11) 0.0811(17) Uani 0.50 1 d PU
O1W O 0.6139(3) 0.69102(15) 0.4628(2) 0.0424(8) Uani 1 1 d .
O2W O 0.5000 0.9136(4) 0.0000 0.138(4) Uani 1 2 d S
O3W O 0.6515(8) 1.0000 0.0125(16) 0.215(8) Uani 1 2 d S
O6 O 1.0493(5) 1.0000 0.7880(5) 0.0669(14) Uani 1 2 d SU
C16 C 1.0749(8) 1.0000 0.6468(7) 0.0294(17) Uani 0.60 2 d SPU
C16' C 1.0923(17) 0.9615(10) 0.6653(16) 0.033(2) Uani 0.20 1 d PU
C15 C 1.0728(18) 1.0640(11) 0.7529(17) 0.032(2) Uani 0.20 1 d PU
C15' C 1.0556(12) 1.0351(8) 0.7300(11) 0.031(2) Uani 0.30 1 d PU
O5W O 0.8120(15) 0.9223(7) 0.6017(16) 0.164(7) Uani 0.50 1 d P
O4W O 0.7281(11) 0.9720(6) 0.6485(10) 0.135(6) Uani 0.50 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'
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
O1 Ni1 O1 180.00(7) . 7_666
O1 Ni1 N1 98.9(3) . .
O1 Ni1 N1 81.1(3) 7_666 .
O1 Ni1 N1 81.1(3) . 7_666
O1 Ni1 N1 98.9(3) 7_666 7_666
N1 Ni1 N1 180.000(3) . 7_666
O1 Ni1 N1' 81.8(4) . .
O1 Ni1 N1' 98.2(4) 7_666 .
N1 Ni1 N1' 18.5(3) . .
N1 Ni1 N1' 161.5(3) 7_666 .
O1 Ni1 N1' 98.2(4) . 7_666
O1 Ni1 N1' 81.8(4) 7_666 7_666
N1 Ni1 N1' 161.5(3) . 7_666
N1 Ni1 N1' 18.5(3) 7_666 7_666
N1' Ni1 N1' 180.000(3) . 7_666
O1 Ni1 O1W 88.80(14) . 7_666
O1 Ni1 O1W 91.20(14) 7_666 7_666
N1 Ni1 O1W 84.2(3) . 7_666
N1 Ni1 O1W 95.8(3) 7_666 7_666
N1' Ni1 O1W 91.1(3) . 7_666
N1' Ni1 O1W 88.9(3) 7_666 7_666
O1 Ni1 O1W 91.20(14) . .
O1 Ni1 O1W 88.80(14) 7_666 .
N1 Ni1 O1W 95.8(3) . .
N1 Ni1 O1W 84.2(3) 7_666 .
N1' Ni1 O1W 88.9(3) . .
N1' Ni1 O1W 91.1(3) 7_666 .
O1W Ni1 O1W 180.0 7_666 .
O6 Ni2 O4 95.39(16) . 5_777
O6 Ni2 O4 95.39(16) . 2_757
O4 Ni2 O4 89.1(2) 5_777 2_757
O6 Ni2 O3 98.22(16) . .
O4 Ni2 O3 166.37(15) 5_777 .
O4 Ni2 O3 89.15(18) 2_757 .
O6 Ni2 O3 98.22(16) . 6_575
O4 Ni2 O3 89.15(17) 5_777 6_575
O4 Ni2 O3 166.37(15) 2_757 6_575
O3 Ni2 O3 89.4(3) . 6_575
O6 Ni2 Ni2 175.48(18) . 5_777
O4 Ni2 Ni2 81.41(11) 5_777 5_777
O4 Ni2 Ni2 81.41(11) 2_757 5_777
O3 Ni2 Ni2 84.97(11) . 5_777
O3 Ni2 Ni2 84.97(11) 6_575 5_777
C5 O5 C9 119.4(3) . .
C2 O3 Ni2 121.8(3) . .
O5 C5 C4 114.6(4) . .
O5 C5 C6 124.4(4) . .
C4 C5 C6 121.0(4) . .
C2 O4 Ni2 126.8(3) . 5_777
C3 C8 C7 120.5(4) . .
C3 C8 H8 119.8 . .
C7 C8 H8 119.8 . .
C5 C4 C3 120.3(4) . .
C5 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
C8 C3 C4 119.1(4) . .
C8 C3 C2 121.0(4) . .
C4 C3 C2 119.8(4) . .
C5 C6 C7 118.7(4) . .
C5 C6 H6 120.7 . .
C7 C6 H6 120.7 . .
C1 O1 Ni1 132.4(3) . .
O5 C9 C9 105.7(3) . 2_657
O5 C9 H9A 110.6 . .
C9 C9 H9A 110.6 2_657 .
O5 C9 H9B 110.6 . .
C9 C9 H9B 110.6 2_657 .
H9A C9 H9B 108.7 . .
C8 C7 C6 120.5(4) . .
C8 C7 C1 118.8(4) . .
C6 C7 C1 120.7(4) . .
O1 C1 O2 126.1(5) . .
O1 C1 C7 115.7(4) . .
O2 C1 C7 118.2(5) . .
O4 C2 O3 125.0(4) . .
O4 C2 C3 117.6(4) . .
O3 C2 C3 117.5(4) . .
N1' N1 C12' 99(2) . .
N1' N1 C12 63.4(18) . .
C12' N1 C12 58.3(12) . .
N1' N1 C10 119(2) . .
C12' N1 C10 49.1(10) . .
C12 N1 C10 107.1(13) . .
N1' N1 Ni1 85.4(19) . .
C12' N1 Ni1 175.3(13) . .
C12 N1 Ni1 125.8(10) . .
C10 N1 Ni1 127.0(10) . .
N1 N1' C12 86(2) . .
N1 N1' C12' 51.1(19) . .
C12 N1' C12' 55.3(10) . .
N1 N1' C10' 157(2) . .
C12 N1' C10' 80.2(12) . .
C12' N1' C10' 106.3(12) . .
N1 N1' C10 41.2(17) . .
C12 N1' C10 90.4(12) . .
C12' N1' C10 35.3(8) . .
C10' N1' C10 120.9(11) . .
N1 N1' Ni1 76.1(18) . .
C12 N1' Ni1 131.0(11) . .
C12' N1' Ni1 127.1(11) . .
C10' N1' Ni1 126.4(10) . .
C10 N1' Ni1 103.4(7) . .
C11 N2 C12' 57.9(10) . .
C11 N2 C11' 128.5(13) . .
C12' N2 C11' 106.5(10) . .
C11 N2 C13' 71.7(9) . .
C12' N2 C13' 127.2(11) . .
C11' N2 C13' 116.9(11) . .
C11 N2 C13 132.1(11) . .
C12' N2 C13 149.6(12) . .
C11' N2 C13 87.7(10) . .
C13' N2 C13 63.2(8) . .
C11 N2 C12 104.9(10) . .
C12' N2 C12 47.2(8) . .
C11' N2 C12 81.3(9) . .
C13' N2 C12 159.7(12) . .
C13 N2 C12 111.6(9) . .
C13 C14 C13 61.3(12) 6_575 .
C13 C14 C13' 112.2(11) 6_575 .
C13 C14 C13' 58.3(8) . .
C13 C14 C13' 58.3(8) 6_575 6_575
C13 C14 C13' 112.2(11) . 6_575
C13' C14 C13' 124.8(13) . 6_575
C10 C12' N1 79.4(16) . .
C10 C12' C12 150(2) . .
N1 C12' C12 72.0(14) . .
C10 C12' C11 75.0(15) . .
N1 C12' C11 153.3(18) . .
C12 C12' C11 131.7(19) . .
C10 C12' N2 126.1(17) . .
N1 C12' N2 142.0(18) . .
C12 C12' N2 76.3(13) . .
C11 C12' N2 55.7(11) . .
C10 C12' N1' 95.4(16) . .
N1 C12' N1' 30.0(8) . .
C12 C12' N1' 55.5(11) . .
C11 C12' N1' 146.1(18) . .
N2 C12' N1' 112.8(14) . .
C12' C12 N1' 69.2(13) . .
C12' C12 N1 49.7(10) . .
N1' C12 N1 30.9(6) . .
C12' C12 N2 56.5(11) . .
N1' C12 N2 108.2(12) . .
N1 C12 N2 103.6(11) . .
C12' C12 C10' 99.7(14) . .
N1' C12 C10' 56.5(10) . .
N1 C12 C10' 86.3(11) . .
N2 C12 C10' 89.0(10) . .
C12' C12 C11' 87.4(13) . .
N1' C12 C11' 90.9(12) . .
N1 C12 C11' 110.6(12) . .
N2 C12 C11' 47.5(7) . .
C10' C12 C11' 45.1(8) . .
C12' C10 N1 51.5(12) . .
C12' C10 C11 59.6(13) . .
N1 C10 C11 110.8(14) . .
C12' C10 N1' 49.4(13) . .
N1 C10 N1' 19.7(6) . .
C11 C10 N1' 102.7(12) . .
C11' C10' N1' 108.0(14) . .
C11' C10' C12 77.9(11) . .
N1' C10' C12 43.3(8) . .
N2 C11 C12' 66.4(12) . .
N2 C11 C10 108.6(13) . .
C12' C11 C10 45.3(10) . .
N2 C11 C13' 62.2(9) . .
C12' C11 C13' 126.3(15) . .
C10 C11 C13' 170.8(16) . .
C10' C11' N2 103.4(12) . .
C10' C11' C12 57.0(9) . .
N2 C11' C12 51.2(7) . .
C10' C11' C13 132.3(12) . .
N2 C11' C13 46.6(7) . .
C12 C11' C13 77.5(9) . .
N2 C13 C14 111.4(11) . .
N2 C13 C13 170.0(8) . 6_575
C14 C13 C13 59.3(6) . 6_575
N2 C13 C13' 57.9(8) . .
C14 C13 C13' 65.6(9) . .
C13 C13 C13' 116.8(7) 6_575 .
N2 C13 C11' 45.7(7) . .
C14 C13 C11' 152.5(10) . .
C13 C13 C11' 144.3(6) 6_575 .
C13' C13 C11' 87.1(10) . .
N2 C13' C13 58.9(8) . .
N2 C13' C11 46.1(7) . .
C13 C13' C11 103.4(11) . .
N2 C13' C14 104.4(9) . .
C13 C13' C14 56.1(8) . .
C11 C13' C14 127.9(12) . .
C15' O6 C15' 84.0(18) . 6_575
C15' O6 C15 107.4(14) . 6_575
C15' O6 C15 25.0(10) 6_575 6_575
C15' O6 C15 25.0(10) . .
C15' O6 C15 107.4(14) 6_575 .
C15 O6 C15 128.4(18) 6_575 .
C15' O6 Ni2 137.5(9) . .
C15' O6 Ni2 137.5(9) 6_575 .
C15 O6 Ni2 115.1(9) 6_575 .
C15 O6 Ni2 115.1(9) . .
C16' C16 C16' 144(3) 6_575 .
C16' C16 C15' 110.9(18) 6_575 6_575
C16' C16 C15' 52.1(16) . 6_575
C16' C16 C15' 52.1(17) 6_575 .
C16' C16 C15' 110.9(18) . .
C15' C16 C15' 61.4(12) 6_575 .
C16 C16' C15' 92(2) . 6_575
C16 C16' C15 120(2) . 6_575
C15' C16' C15 28.5(11) 6_575 6_575
C16 C16' C16' 18.0(15) . 6_575
C15' C16' C16' 86.4(13) 6_575 6_575
C15 C16' C16' 112.4(13) 6_575 6_575
C16 C16' C15' 44.6(14) . .
C15' C16' C15' 50.0(14) 6_575 .
C15 C16' C15' 76.7(14) 6_575 .
C16' C16' C15' 36.3(7) 6_575 .
C15' C15 C16' 53(2) . 6_575
C15' C15 O6 43.2(19) . .
C16' C15 O6 92.6(17) 6_575 .
C15 C15' O6 112(3) . .
C15 C15' C16' 98(3) . 6_575
O6 C15' C16' 138.8(19) . 6_575
C15 C15' C16 134(3) . .
O6 C15' C16 107.1(13) . .
C16' C15' C16 36.1(12) 6_575 .
C15 C15' C15' 154(2) . 6_575
O6 C15' C15' 48.0(9) . 6_575
C16' C15' C15' 93.6(13) 6_575 6_575
C16 C15' C15' 59.3(6) . 6_575
C15 C15' C16' 147(3) . .
O6 C15' C16' 83.2(12) . .
C16' C15' C16' 57.3(17) 6_575 .
C16 C15' C16' 24.5(7) . .
C15' C15' C16' 36.3(7) 6_575 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O1 2.016(3) .
Ni1 O1 2.016(3) 7_666
Ni1 N1 2.037(14) .
Ni1 N1 2.037(14) 7_666
Ni1 N1' 2.093(11) .
Ni1 N1' 2.093(11) 7_666
Ni1 O1W 2.125(3) 7_666
Ni1 O1W 2.125(3) .
Ni2 O6 1.989(6) .
Ni2 O4 2.002(3) 5_777
Ni2 O4 2.002(3) 2_757
Ni2 O3 2.009(3) .
Ni2 O3 2.009(3) 6_575
Ni2 Ni2 2.6910(14) 5_777
O2 C1 1.262(6) .
O5 C5 1.373(6) .
O5 C9 1.411(6) .
O3 C2 1.255(6) .
C5 C4 1.376(7) .
C5 C6 1.385(7) .
O4 C2 1.243(6) .
O4 Ni2 2.002(3) 5_777
C8 C3 1.378(6) .
C8 C7 1.389(7) .
C8 H8 0.9300 .
C4 C3 1.394(6) .
C4 H4 0.9300 .
C3 C2 1.490(7) .
C6 C7 1.390(7) .
C6 H6 0.9300 .
O1 C1 1.249(7) .
C9 C9 1.508(9) 2_657
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C7 C1 1.506(7) .
N1 N1' 0.667(10) .
N1 C12' 1.037(18) .
N1 C12 1.295(18) .
N1 C10 1.302(19) .
N1' C12 1.161(18) .
N1' C12' 1.32(2) .
N1' C10' 1.411(19) .
N1' C10 1.728(19) .
N2 C11 1.186(16) .
N2 C12' 1.315(18) .
N2 C11' 1.450(18) .
N2 C13' 1.457(15) .
N2 C13 1.472(16) .
N2 C12 1.532(15) .
C14 C13 1.497(19) 6_575
C14 C13 1.497(19) .
C14 C13' 1.643(15) .
C14 C13' 1.643(15) 6_575
C12' C10 1.002(17) .
C12' C12 1.158(19) .
C12' C11 1.22(2) .
C12 C10' 1.67(2) .
C12 C11' 1.94(2) .
C10 C11 1.36(2) .
C10' C11' 1.407(19) .
C11 C13' 1.56(2) .
C11' C13 2.02(2) .
C13 C13 1.53(3) 6_575
C13 C13' 1.54(2) .
O6 C15' 1.160(14) .
O6 C15' 1.160(14) 6_575
O6 C15 1.57(2) 6_575
O6 C15 1.57(2) .
C16 C16' 0.90(2) 6_575
C16 C16' 0.90(2) .
C16 C15' 1.520(18) 6_575
C16 C15' 1.520(18) .
C16' C15' 1.20(3) 6_575
C16' C15 1.48(3) 6_575
C16' C16' 1.70(4) 6_575
C16' C15' 2.02(3) .
C15 C15' 0.71(2) .
C15 C16' 1.48(3) 6_575
C15' C16' 1.20(3) 6_575
C15' C15' 1.55(3) 6_575
O4W O4W 1.24(3) 6_575
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_4
O6 Ni2 O3 C2 175.5(4) . .
O4 Ni2 O3 C2 -2.3(10) 5_777 .
O4 Ni2 O3 C2 80.2(4) 2_757 .
O3 Ni2 O3 C2 -86.2(4) 6_575 .
Ni2 Ni2 O3 C2 -1.2(4) 5_777 .
C9 O5 C5 C4 -178.0(5) . .
C9 O5 C5 C6 0.4(8) . .
O5 C5 C4 C3 -180.0(5) . .
C6 C5 C4 C3 1.5(8) . .
C7 C8 C3 C4 -0.8(8) . .
C7 C8 C3 C2 176.3(5) . .
C5 C4 C3 C8 0.0(7) . .
C5 C4 C3 C2 -177.1(5) . .
O5 C5 C6 C7 179.5(5) . .
C4 C5 C6 C7 -2.1(8) . .
O1 Ni1 O1 C1 -34(100) 7_666 .
N1 Ni1 O1 C1 106.2(7) . .
N1 Ni1 O1 C1 -73.8(7) 7_666 .
N1' Ni1 O1 C1 98.9(7) . .
N1' Ni1 O1 C1 -81.1(7) 7_666 .
O1W Ni1 O1 C1 -169.8(7) 7_666 .
O1W Ni1 O1 C1 10.2(7) . .
C5 O5 C9 C9 -175.8(4) . 2_657
C3 C8 C7 C6 0.1(8) . .
C3 C8 C7 C1 179.8(5) . .
C5 C6 C7 C8 1.4(8) . .
C5 C6 C7 C1 -178.3(5) . .
Ni1 O1 C1 O2 -2.2(11) . .
Ni1 O1 C1 C7 178.1(4) . .
C8 C7 C1 O1 2.8(8) . .
C6 C7 C1 O1 -177.5(6) . .
C8 C7 C1 O2 -176.9(5) . .
C6 C7 C1 O2 2.8(8) . .
Ni2 O4 C2 O3 -1.9(8) 5_777 .
Ni2 O4 C2 C3 176.2(3) 5_777 .
Ni2 O3 C2 O4 2.2(8) . .
Ni2 O3 C2 C3 -175.9(3) . .
C8 C3 C2 O4 -169.8(5) . .
C4 C3 C2 O4 7.2(7) . .
C8 C3 C2 O3 8.4(7) . .
C4 C3 C2 O3 -174.5(5) . .
O1 Ni1 N1 N1' -23.3(18) . .
O1 Ni1 N1 N1' 156.7(18) 7_666 .
N1 Ni1 N1 N1' 165(100) 7_666 .
N1' Ni1 N1 N1' 180.000(9) 7_666 .
O1W Ni1 N1 N1' -111.2(18) 7_666 .
O1W Ni1 N1 N1' 68.8(18) . .
O1 Ni1 N1 C12' 180(100) . .
O1 Ni1 N1 C12' 0(17) 7_666 .
N1 Ni1 N1 C12' 8(100) 7_666 .
N1' Ni1 N1 C12' -157(18) . .
N1' Ni1 N1 C12' 23(18) 7_666 .
O1W Ni1 N1 C12' 92(17) 7_666 .
O1W Ni1 N1 C12' -88(17) . .
O1 Ni1 N1 C12 28.9(13) . .
O1 Ni1 N1 C12 -151.1(13) 7_666 .
N1 Ni1 N1 C12 -143(100) 7_666 .
N1' Ni1 N1 C12 52.3(17) . .
N1' Ni1 N1 C12 -127.7(17) 7_666 .
O1W Ni1 N1 C12 -58.9(13) 7_666 .
O1W Ni1 N1 C12 121.1(13) . .
O1 Ni1 N1 C10 -146.7(13) . .
O1 Ni1 N1 C10 33.3(13) 7_666 .
N1 Ni1 N1 C10 41(100) 7_666 .
N1' Ni1 N1 C10 -123(3) . .
N1' Ni1 N1 C10 57(3) 7_666 .
O1W Ni1 N1 C10 125.4(13) 7_666 .
O1W Ni1 N1 C10 -54.6(13) . .
C12' N1 N1' C12 -47.7(16) . .
C10 N1 N1' C12 -96(2) . .
Ni1 N1 N1' C12 134.2(9) . .
C12 N1 N1' C12' 47.7(16) . .
C10 N1 N1' C12' -47.9(16) . .
Ni1 N1 N1' C12' -178.1(14) . .
C12' N1 N1' C10' 3(7) . .
C12 N1 N1' C10' 51(5) . .
C10 N1 N1' C10' -44(7) . .
Ni1 N1 N1' C10' -175(5) . .
C12' N1 N1' C10 47.9(16) . .
C12 N1 N1' C10 96(2) . .
Ni1 N1 N1' C10 -130.3(19) . .
C12' N1 N1' Ni1 178.1(14) . .
C12 N1 N1' Ni1 -134.2(8) . .
C10 N1 N1' Ni1 130.3(19) . .
O1 Ni1 N1' N1 156.7(18) . .
O1 Ni1 N1' N1 -23.3(18) 7_666 .
N1 Ni1 N1' N1 180.000(9) 7_666 .
N1' Ni1 N1' N1 0(100) 7_666 .
O1W Ni1 N1' N1 68.1(18) 7_666 .
O1W Ni1 N1' N1 -111.9(18) . .
O1 Ni1 N1' C12 85.3(16) . .
O1 Ni1 N1' C12 -94.7(16) 7_666 .
N1 Ni1 N1' C12 -71(2) . .
N1 Ni1 N1' C12 109(2) 7_666 .
N1' Ni1 N1' C12 0(100) 7_666 .
O1W Ni1 N1' C12 -3.3(16) 7_666 .
O1W Ni1 N1' C12 176.7(16) . .
O1 Ni1 N1' C12' 158.6(12) . .
O1 Ni1 N1' C12' -21.4(12) 7_666 .
N1 Ni1 N1' C12' 1.8(14) . .
N1 Ni1 N1' C12' -178.2(14) 7_666 .
N1' Ni1 N1' C12' 0(100) 7_666 .
O1W Ni1 N1' C12' 69.9(12) 7_666 .
O1W Ni1 N1' C12' -110.1(12) . .
O1 Ni1 N1' C10' -25.8(10) . .
O1 Ni1 N1' C10' 154.2(10) 7_666 .
N1 Ni1 N1' C10' 177(3) . .
N1 Ni1 N1' C10' -3(3) 7_666 .
N1' Ni1 N1' C10' 0(100) 7_666 .
O1W Ni1 N1' C10' -114.5(11) 7_666 .
O1W Ni1 N1' C10' 65.5(11) . .
O1 Ni1 N1' C10 -172.2(8) . .
O1 Ni1 N1' C10 7.8(8) 7_666 .
N1 Ni1 N1' C10 31.1(16) . .
N1 Ni1 N1' C10 -148.9(16) 7_666 .
N1' Ni1 N1' C10 0(100) 7_666 .
O1W Ni1 N1' C10 99.2(7) 7_666 .
O1W Ni1 N1' C10 -80.8(7) . .
N1' N1 C12' C10 -121(2) . .
C12 N1 C12' C10 -172(2) . .
Ni1 N1 C12' C10 35(17) . .
N1' N1 C12' C12 51(2) . .
C10 N1 C12' C12 172(2) . .
Ni1 N1 C12' C12 -153(17) . .
N1' N1 C12' C11 -105(5) . .
C12 N1 C12' C11 -156(5) . .
C10 N1 C12' C11 16(4) . .
Ni1 N1 C12' C11 52(20) . .
N1' N1 C12' N2 16(4) . .
C12 N1 C12' N2 -35(2) . .
C10 N1 C12' N2 137(3) . .
Ni1 N1 C12' N2 173(15) . .
C12 N1 C12' N1' -51(2) . .
C10 N1 C12' N1' 121(2) . .
Ni1 N1 C12' N1' 156(18) . .
C11 N2 C12' C10 -28(2) . .
C11' N2 C12' C10 98(2) . .
C13' N2 C12' C10 -47(3) . .
C13 N2 C12' C10 -148(2) . .
C12 N2 C12' C10 158(3) . .
C11 N2 C12' N1 -152(3) . .
C11' N2 C12' N1 -27(3) . .
C13' N2 C12' N1 -172(2) . .
C13 N2 C12' N1 88(3) . .
C12 N2 C12' N1 34(2) . .
C11 N2 C12' C12 173.8(18) . .
C11' N2 C12' C12 -60.7(13) . .
C13' N2 C12' C12 154.4(15) . .
C13 N2 C12' C12 54(3) . .
C11' N2 C12' C11 125.5(14) . .
C13' N2 C12' C11 -19.4(17) . .
C13 N2 C12' C11 -120(2) . .
C12 N2 C12' C11 -173.8(18) . .
C11 N2 C12' N1' -143.5(18) . .
C11' N2 C12' N1' -18.0(16) . .
C13' N2 C12' N1' -162.9(12) . .
C13 N2 C12' N1' 97(2) . .
C12 N2 C12' N1' 42.7(13) . .
N1 N1' C12' C10 58(2) . .
C12 N1' C12' C10 174(2) . .
C10' N1' C12' C10 -120.8(17) . .
Ni1 N1' C12' C10 55.5(19) . .
C12 N1' C12' N1 116(3) . .
C10' N1' C12' N1 -179(3) . .
C10 N1' C12' N1 -58(2) . .
Ni1 N1' C12' N1 -2.3(17) . .
N1 N1' C12' C12 -116(3) . .
C10' N1' C12' C12 65.2(14) . .
C10 N1' C12' C12 -174(2) . .
Ni1 N1' C12' C12 -118.5(15) . .
N1 N1' C12' C11 129(4) . .
C12 N1' C12' C11 -115(3) . .
C10' N1' C12' C11 -50(3) . .
C10 N1' C12' C11 71(3) . .
Ni1 N1' C12' C11 126(3) . .
N1 N1' C12' N2 -169(2) . .
C12 N1' C12' N2 -53.1(14) . .
C10' N1' C12' N2 12.1(16) . .
C10 N1' C12' N2 133(2) . .
Ni1 N1' C12' N2 -171.6(9) . .
C10 C12' C12 N1' -12(4) . .
N1 C12' C12 N1' -28.1(10) . .
C11 C12' C12 N1' 137(2) . .
N2 C12' C12 N1' 130.6(13) . .
C10 C12' C12 N1 16(4) . .
C11 C12' C12 N1 166(3) . .
N2 C12' C12 N1 158.8(16) . .
N1' C12' C12 N1 28.1(10) . .
C10 C12' C12 N2 -143(5) . .
N1 C12' C12 N2 -158.8(16) . .
C11 C12' C12 N2 7(2) . .
N1' C12' C12 N2 -130.6(13) . .
C10 C12' C12 C10' -61(5) . .
N1 C12' C12 C10' -76.6(13) . .
C11 C12' C12 C10' 89(2) . .
N2 C12' C12 C10' 82.2(11) . .
N1' C12' C12 C10' -48.4(10) . .
C10 C12' C12 C11' -104(4) . .
N1 C12' C12 C11' -120.1(13) . .
C11 C12' C12 C11' 45(2) . .
N2 C12' C12 C11' 38.7(8) . .
N1' C12' C12 C11' -92.0(11) . .
N1 N1' C12 C12' 44(2) . .
C10' N1' C12 C12' -117.9(13) . .
C10 N1' C12 C12' 3.5(12) . .
Ni1 N1' C12 C12' 111.7(16) . .
C12' N1' C12 N1 -44(2) . .
C10' N1' C12 N1 -162(2) . .
C10 N1' C12 N1 -41.0(17) . .
Ni1 N1' C12 N1 67.3(18) . .
N1 N1' C12 N2 86(2) . .
C12' N1' C12 N2 41.8(12) . .
C10' N1' C12 N2 -76.1(12) . .
C10 N1' C12 N2 45.2(13) . .
Ni1 N1' C12 N2 153.5(10) . .
N1 N1' C12 C10' 162(2) . .
C12' N1' C12 C10' 117.9(13) . .
C10 N1' C12 C10' 121.3(10) . .
Ni1 N1' C12 C10' -130.4(16) . .
N1 N1' C12 C11' 131.3(19) . .
C12' N1' C12 C11' 86.9(12) . .
C10' N1' C12 C11' -31.0(9) . .
C10 N1' C12 C11' 90.3(9) . .
Ni1 N1' C12 C11' -161.4(11) . .
N1' N1 C12 C12' -121(3) . .
C10 N1 C12 C12' -6.3(16) . .
Ni1 N1 C12 C12' 177.3(17) . .
C12' N1 C12 N1' 121(3) . .
C10 N1 C12 N1' 115(2) . .
Ni1 N1 C12 N1' -61.9(18) . .
N1' N1 C12 N2 -103(2) . .
C12' N1 C12 N2 18.1(14) . .
C10 N1 C12 N2 11.8(16) . .
Ni1 N1 C12 N2 -164.6(8) . .
N1' N1 C12 C10' -14.7(19) . .
C12' N1 C12 C10' 106.1(15) . .
C10 N1 C12 C10' 99.8(13) . .
Ni1 N1 C12 C10' -76.6(12) . .
N1' N1 C12 C11' -53(2) . .
C12' N1 C12 C11' 67.5(15) . .
C10 N1 C12 C11' 61.1(16) . .
Ni1 N1 C12 C11' -115.2(11) . .
C11 N2 C12 C12' -5.4(16) . .
C11' N2 C12 C12' 122.2(14) . .
C13' N2 C12 C12' -83(3) . .
C13 N2 C12 C12' -153.8(15) . .
C11 N2 C12 N1' -53.7(18) . .
C12' N2 C12 N1' -48.3(14) . .
C11' N2 C12 N1' 73.9(14) . .
C13' N2 C12 N1' -131(2) . .
C13 N2 C12 N1' 157.9(14) . .
C11 N2 C12 N1 -21.9(17) . .
C12' N2 C12 N1 -16.5(13) . .
C11' N2 C12 N1 105.7(13) . .
C13' N2 C12 N1 -99(3) . .
C13 N2 C12 N1 -170.3(13) . .
C11 N2 C12 C10' -107.8(13) . .
C12' N2 C12 C10' -102.4(14) . .
C11' N2 C12 C10' 19.8(9) . .
C13' N2 C12 C10' 175(2) . .
C13 N2 C12 C10' 103.8(11) . .
C11 N2 C12 C11' -127.6(13) . .
C12' N2 C12 C11' -122.2(14) . .
C13' N2 C12 C11' 155(3) . .
C13 N2 C12 C11' 84.0(11) . .
C12 C12' C10 N1 -16(4) . .
C11 C12' C10 N1 -172.4(19) . .
N2 C12' C10 N1 -149(3) . .
N1' C12' C10 N1 -25.5(9) . .
N1 C12' C10 C11 172.4(19) . .
C12 C12' C10 C11 157(5) . .
N2 C12' C10 C11 23.6(19) . .
N1' C12' C10 C11 146.9(17) . .
N1 C12' C10 N1' 25.5(9) . .
C12 C12' C10 N1' 10(4) . .
C11 C12' C10 N1' -146.9(17) . .
N2 C12' C10 N1' -123(3) . .
N1' N1 C10 C12' 76(3) . .
C12 N1 C10 C12' 7.1(18) . .
Ni1 N1 C10 C12' -176.6(18) . .
N1' N1 C10 C11 69(3) . .
C12' N1 C10 C11 -7.0(17) . .
C12 N1 C10 C11 0(2) . .
Ni1 N1 C10 C11 176.5(11) . .
C12' N1 C10 N1' -76(3) . .
C12 N1 C10 N1' -69(2) . .
Ni1 N1 C10 N1' 108(3) . .
N1 N1' C10 C12' -88(3) . .
C12 N1' C10 C12' -4.9(18) . .
C10' N1' C10 C12' 73.8(19) . .
Ni1 N1' C10 C12' -137.5(17) . .
C12 N1' C10 N1 83(3) . .
C12' N1' C10 N1 88(3) . .
C10' N1' C10 N1 162(3) . .
Ni1 N1' C10 N1 -50(2) . .
N1 N1' C10 C11 -117(3) . .
C12 N1' C10 C11 -33.8(15) . .
C12' N1' C10 C11 -28.9(16) . .
C10' N1' C10 C11 45.0(17) . .
Ni1 N1' C10 C11 -166.4(11) . .
N1 N1' C10' C11' -4(6) . .
C12 N1' C10' C11' 48.4(13) . .
C12' N1' C10' C11' -0.9(15) . .
C10 N1' C10' C11' -36.2(16) . .
Ni1 N1' C10' C11' -177.2(9) . .
N1 N1' C10' C12 -52(6) . .
C12' N1' C10' C12 -49.2(10) . .
C10 N1' C10' C12 -84.5(13) . .
Ni1 N1' C10' C12 134.4(14) . .
C12' C12 C10' C11' -76.4(14) . .
N1' C12 C10' C11' -133.4(13) . .
N1 C12 C10' C11' -124.4(12) . .
N2 C12 C10' C11' -20.7(9) . .
C12' C12 C10' N1' 57.0(13) . .
N1 C12 C10' N1' 9.0(11) . .
N2 C12 C10' N1' 112.7(12) . .
C11' C12 C10' N1' 133.4(13) . .
C11' N2 C11 C12' -85.9(15) . .
C13' N2 C11 C12' 163.8(14) . .
C13 N2 C11 C12' 143.6(17) . .
C12 N2 C11 C12' 4.7(14) . .
C12' N2 C11 C10 17.1(13) . .
C11' N2 C11 C10 -68.8(19) . .
C13' N2 C11 C10 -179.1(17) . .
C13 N2 C11 C10 160.7(14) . .
C12 N2 C11 C10 21.8(18) . .
C12' N2 C11 C13' -163.8(14) . .
C11' N2 C11 C13' 110.3(14) . .
C13 N2 C11 C13' -20.2(16) . .
C12 N2 C11 C13' -159.1(12) . .
C10 C12' C11 N2 156.9(19) . .
N1 C12' C11 N2 140(5) . .
C12 C12' C11 N2 -8(2) . .
N1' C12' C11 N2 80(3) . .
N1 C12' C11 C10 -17(4) . .
C12 C12' C11 C10 -165(3) . .
N2 C12' C11 C10 -156.9(19) . .
N1' C12' C11 C10 -77(3) . .
C10 C12' C11 C13' 175(2) . .
N1 C12' C11 C13' 158(4) . .
C12 C12' C11 C13' 10(4) . .
N2 C12' C11 C13' 17.8(16) . .
N1' C12' C11 C13' 98(3) . .
C12' C10 C11 N2 -22.3(18) . .
N1 C10 C11 N2 -16(2) . .
N1' C10 C11 N2 2.8(18) . .
N1 C10 C11 C12' 6.3(16) . .
N1' C10 C11 C12' 25.1(14) . .
C12' C10 C11 C13' -27(10) . .
N1 C10 C11 C13' -21(11) . .
N1' C10 C11 C13' -2(11) . .
N1' C10' C11' N2 -9.1(14) . .
C12 C10' C11' N2 22.6(10) . .
N1' C10' C11' C12 -31.6(9) . .
N1' C10' C11' C13 -51.5(18) . .
C12 C10' C11' C13 -19.9(16) . .
C11 N2 C11' C10' 77.7(15) . .
C12' N2 C11' C10' 16.0(14) . .
C13' N2 C11' C10' 165.1(10) . .
C13 N2 C11' C10' -136.7(11) . .
C12 N2 C11' C10' -24.4(11) . .
C11 N2 C11' C12 102.1(13) . .
C12' N2 C11' C12 40.4(9) . .
C13' N2 C11' C12 -170.5(11) . .
C13 N2 C11' C12 -112.3(9) . .
C11 N2 C11' C13 -145.6(14) . .
C12' N2 C11' C13 152.7(12) . .
C13' N2 C11' C13 -58.3(9) . .
C12 N2 C11' C13 112.3(9) . .
C12' C12 C11' C10' 106.5(14) . .
N1' C12 C11' C10' 37.3(11) . .
N1 C12 C11' C10' 61.7(13) . .
N2 C12 C11' C10' 151.4(12) . .
C12' C12 C11' N2 -44.9(11) . .
N1' C12 C11' N2 -114.1(12) . .
N1 C12 C11' N2 -89.7(13) . .
C10' C12 C11' N2 -151.4(12) . .
C12' C12 C11' C13 -88.4(12) . .
N1' C12 C11' C13 -157.6(12) . .
N1 C12 C11' C13 -133.2(12) . .
N2 C12 C11' C13 -43.5(7) . .
C10' C12 C11' C13 165.1(11) . .
C11 N2 C13 C14 -18(2) . .
C12' N2 C13 C14 79(2) . .
C11' N2 C13 C14 -161.6(11) . .
C13' N2 C13 C14 -39.7(11) . .
C12 N2 C13 C14 118.7(12) . .
C11 N2 C13 C13 -39(5) . 6_575
C12' N2 C13 C13 58(5) . 6_575
C11' N2 C13 C13 177(4) . 6_575
C13' N2 C13 C13 -61(4) . 6_575
C12 N2 C13 C13 98(4) . 6_575
C11 N2 C13 C13' 21.5(18) . .
C12' N2 C13 C13' 119(2) . .
C11' N2 C13 C13' -121.9(11) . .
C12 N2 C13 C13' 158.5(13) . .
C11 N2 C13 C11' 143.4(19) . .
C12' N2 C13 C11' -120(2) . .
C13' N2 C13 C11' 121.9(11) . .
C12 N2 C13 C11' -79.7(10) . .
C13 C14 C13 N2 -175.8(7) 6_575 .
C13' C14 C13 N2 36.5(10) . .
C13' C14 C13 N2 154.7(10) 6_575 .
C13' C14 C13 C13 -147.7(8) . 6_575
C13' C14 C13 C13 -29.5(6) 6_575 6_575
C13 C14 C13 C13' 147.7(8) 6_575 .
C13' C14 C13 C13' 118.2(14) 6_575 .
C13 C14 C13 C11' 155(2) 6_575 .
C13' C14 C13 C11' 7(2) . .
C13' C14 C13 C11' 125(2) 6_575 .
C10' C11' C13 N2 64.6(16) . .
C12 C11' C13 N2 47.6(8) . .
C10' C11' C13 C14 104(3) . .
N2 C11' C13 C14 40(2) . .
C12 C11' C13 C14 87(2) . .
C10' C11' C13 C13 -114.6(15) . 6_575
N2 C11' C13 C13 -179.2(10) . 6_575
C12 C11' C13 C13 -131.6(9) . 6_575
C10' C11' C13 C13' 110.7(17) . .
N2 C11' C13 C13' 46.1(9) . .
C12 C11' C13 C13' 93.7(10) . .
C11 N2 C13' C13 -163.3(14) . .
C12' N2 C13' C13 -146.1(16) . .
C11' N2 C13' C13 72.1(12) . .
C12 N2 C13' C13 -80(3) . .
C12' N2 C13' C11 17.2(15) . .
C11' N2 C13' C11 -124.5(14) . .
C13 N2 C13' C11 163.3(14) . .
C12 N2 C13' C11 83(3) . .
C11 N2 C13' C14 -129.3(14) . .
C12' N2 C13' C14 -112.0(14) . .
C11' N2 C13' C14 106.2(12) . .
C13 N2 C13' C14 34.0(10) . .
C12 N2 C13' C14 -46(3) . .
C14 C13 C13' N2 139.2(12) . .
C13 C13 C13' N2 170.2(9) 6_575 .
C11' C13 C13' N2 -37.5(8) . .
N2 C13 C13' C11 -12.3(11) . .
C14 C13 C13' C11 126.9(13) . .
C13 C13 C13' C11 158.0(9) 6_575 .
C11' C13 C13' C11 -49.8(12) . .
N2 C13 C13' C14 -139.2(12) . .
C13 C13 C13' C14 31.0(8) 6_575 .
C11' C13 C13' C14 -176.7(10) . .
C12' C11 C13' N2 -18.5(17) . .
C10 C11 C13' N2 5(10) . .
N2 C11 C13' C13 14.6(13) . .
C12' C11 C13' C13 -4(2) . .
C10 C11 C13' C13 20(11) . .
N2 C11 C13' C14 71.8(16) . .
C12' C11 C13' C14 53(3) . .
C10 C11 C13' C14 77(11) . .
C13 C14 C13' N2 -65.7(13) 6_575 .
C13 C14 C13' N2 -35.3(10) . .
C13' C14 C13' N2 -131.7(10) 6_575 .
C13 C14 C13' C13 -30.5(9) 6_575 .
C13' C14 C13' C13 -96.5(15) 6_575 .
C13 C14 C13' C11 -110.7(16) 6_575 .
C13 C14 C13' C11 -80.2(16) . .
C13' C14 C13' C11 -176.7(10) 6_575 .
O4 Ni2 O6 C15' -53.1(13) 5_777 .
O4 Ni2 O6 C15' -142.7(13) 2_757 .
O3 Ni2 O6 C15' 127.4(13) . .
O3 Ni2 O6 C15' 36.8(13) 6_575 .
Ni2 Ni2 O6 C15' -97.9(13) 5_777 .
O4 Ni2 O6 C15' 142.7(13) 5_777 6_575
O4 Ni2 O6 C15' 53.1(13) 2_757 6_575
O3 Ni2 O6 C15' -36.8(13) . 6_575
O3 Ni2 O6 C15' -127.4(13) 6_575 6_575
Ni2 Ni2 O6 C15' 97.9(13) 5_777 6_575
O4 Ni2 O6 C15 128.7(9) 5_777 6_575
O4 Ni2 O6 C15 39.2(9) 2_757 6_575
O3 Ni2 O6 C15 -50.7(10) . 6_575
O3 Ni2 O6 C15 -141.3(9) 6_575 6_575
Ni2 Ni2 O6 C15 84.0(9) 5_777 6_575
O4 Ni2 O6 C15 -39.2(9) 5_777 .
O4 Ni2 O6 C15 -128.7(9) 2_757 .
O3 Ni2 O6 C15 141.3(9) . .
O3 Ni2 O6 C15 50.7(9) 6_575 .
Ni2 Ni2 O6 C15 -84.0(9) 5_777 .
C16' C16 C16' C15' 72(5) 6_575 6_575
C15' C16 C16' C15' 18.7(18) . 6_575
C16' C16 C16' C15 69(6) 6_575 6_575
C15' C16 C16' C15 -3.7(15) 6_575 6_575
C15' C16 C16' C15 15(3) . 6_575
C15' C16 C16' C16' -72(5) 6_575 6_575
C15' C16 C16' C16' -54(5) . 6_575
C16' C16 C16' C15' 54(5) 6_575 .
C15' C16 C16' C15' -18.7(18) 6_575 .
C15' O6 C15 C15' 21(2) 6_575 .
C15 O6 C15 C15' 37(4) 6_575 .
Ni2 O6 C15 C15' -157(2) . .
C15' O6 C15 C16' -23(2) . 6_575
C15' O6 C15 C16' -1.5(16) 6_575 6_575
C15 O6 C15 C16' 14(3) 6_575 6_575
Ni2 O6 C15 C16' 179.8(10) . 6_575
C16' C15 C15' O6 151(3) 6_575 .
O6 C15 C15' C16' -151(3) . 6_575
C16' C15 C15' C16 5(2) 6_575 .
O6 C15 C15' C16 -146(4) . .
C16' C15 C15' C15' 115(5) 6_575 6_575
O6 C15 C15' C15' -36(4) . 6_575
C16' C15 C15' C16' 39(4) 6_575 .
O6 C15 C15' C16' -112(5) . .
C15' O6 C15' C15 -160(2) 6_575 .
C15 O6 C15' C15 -151(3) 6_575 .
Ni2 O6 C15' C15 31(3) . .
C15' O6 C15' C16' -26(3) 6_575 6_575
C15 O6 C15' C16' -17(3) 6_575 6_575
C15 O6 C15' C16' 133(4) . 6_575
Ni2 O6 C15' C16' 164(2) . 6_575
C15' O6 C15' C16 -4.8(16) 6_575 .
C15 O6 C15' C16 4.1(14) 6_575 .
C15 O6 C15' C16 155(3) . .
Ni2 O6 C15' C16 -174.1(6) . .
C15 O6 C15' C15' 8.9(10) 6_575 6_575
C15 O6 C15' C15' 160(2) . 6_575
Ni2 O6 C15' C15' -169.3(17) . 6_575
C15' O6 C15' C16' -10.0(12) 6_575 .
C15 O6 C15' C16' -1.1(12) 6_575 .
C15 O6 C15' C16' 150(3) . .
Ni2 O6 C15' C16' -179.4(10) . .
C16' C16 C15' C15 -9(4) 6_575 .
C16' C16 C15' C15 134(4) . .
C15' C16 C15' C15 151(3) 6_575 .
C16' C16 C15' O6 -156(2) 6_575 .
C16' C16 C15' O6 -13(2) . .
C15' C16 C15' O6 4.1(14) 6_575 .
C16' C16 C15' C16' 143(4) . 6_575
C15' C16 C15' C16' 160.0(19) 6_575 6_575
C16' C16 C15' C15' -160.0(19) 6_575 6_575
C16' C16 C15' C15' -16.8(16) . 6_575
C16' C16 C15' C16' -143(4) 6_575 .
C15' C16 C15' C16' 16.8(16) 6_575 .
C16 C16' C15' C15 -72(5) . .
C15' C16' C15' C15 133(4) 6_575 .
C15 C16' C15' C15 121(5) 6_575 .
C16' C16' C15' C15 -47(4) 6_575 .
C16 C16' C15' O6 168(2) . .
C15' C16' C15' O6 12.6(15) 6_575 .
C15 C16' C15' O6 1.2(12) 6_575 .
C16' C16' C15' O6 -167.4(15) 6_575 .
C16 C16' C15' C16' -25(2) . 6_575
C15' C16' C15' C16' 180.000(2) 6_575 6_575
C15 C16' C15' C16' 168.6(12) 6_575 6_575
C15' C16' C15' C16 -155(2) 6_575 .
C15 C16' C15' C16 -167(2) 6_575 .
C16' C16' C15' C16 25(2) 6_575 .
C16 C16' C15' C15' 155(2) . 6_575
C15 C16' C15' C15' -11.4(12) 6_575 6_575
C16' C16' C15' C15' 180.000(18) 6_575 6_575
