#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:28:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179112 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/74/4307454.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_4307454
loop_
_publ_author_name
'Xiao-Ping Zhou'
'Wen-Xiu Ni'
'Shun-Ze Zhan'
'Jia Ni'
'Dan Li'
'Ye-Gao Yin'
_publ_section_title
;
From Encapsulation to Polypseudorotaxane: Unusual Anion Networks Driven
by Predesigned Metal Bis(terpyridine) Complex Cations
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2345
_journal_page_last               2347
_journal_paper_doi               10.1021/ic061927o
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C52 H34 Cu6 N14 Ni'
_chemical_formula_weight         1294.88
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 103.660(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   35.514(3)
_cell_length_b                   18.5884(15)
_cell_length_c                   16.2731(13)
_cell_measurement_temperature    293(2)
_cell_volume                     10438.8(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0456
_diffrn_reflns_av_sigmaI/netI    0.0556
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            27187
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.18
_exptl_absorpt_coefficient_mu    2.801
_exptl_absorpt_correction_T_max  0.4406
_exptl_absorpt_correction_T_min  0.2982
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'deep brown'
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block-like
_exptl_crystal_F_000             5168
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.807
_refine_diff_density_min         -0.759
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     662
_refine_ls_number_reflns         9180
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0783
_refine_ls_R_factor_gt           0.0496
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0589P)²+12.2352P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1157
_refine_ls_wR_factor_ref         0.1311
_reflns_number_gt                6401
_reflns_number_total             9180
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061927osi20070210_104654_4.cif
_cod_data_source_block           2d
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi -scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4307454
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Cu1 Cu 0.5000 0.60773(8) 0.7500 0.0819(4) Uani 1 2 d S . .
Cu2 Cu 0.5000 0.44609(7) 0.7500 0.0694(3) Uani 1 2 d S . .
Cu3 Cu 0.42375(2) 0.44210(4) 0.45942(4) 0.0522(2) Uani 1 1 d . . .
Cu4 Cu 0.29093(2) 0.51279(4) 0.30831(4) 0.04710(19) Uani 1 1 d . . .
Cu5 Cu 0.20859(2) 0.50163(4) 0.01749(4) 0.0490(2) Uani 1 1 d . . .
Cu6 Cu 0.07534(2) 0.43950(4) 0.03645(4) 0.0556(2) Uani 1 1 d . . .
Cu7 Cu 0.0000 0.38356(8) -0.2500 0.0859(4) Uani 1 2 d S . .
Cu8 Cu 0.0000 0.45135(7) 0.2500 0.0717(4) Uani 1 2 d S . .
Ni1 Ni 0.136873(17) 0.25237(3) 0.31972(4) 0.02930(16) Uani 1 1 d . . .
N1 N 0.52815(17) 0.6047(3) 0.6621(4) 0.0880(19) Uani 1 1 d . . .
N2 N 0.45122(15) 0.4422(3) 0.5768(4) 0.0691(15) Uani 1 1 d . . .
N3 N 0.34370(17) 0.4915(3) 0.3684(3) 0.0594(14) Uani 1 1 d . . .
N4 N 0.25482(15) 0.5125(3) 0.3846(3) 0.0666(15) Uani 1 1 d . . .
N5 N 0.24396(14) 0.5261(3) 0.1288(3) 0.0523(12) Uani 1 1 d . . .
N6 N 0.12708(18) 0.4700(3) 0.0318(3) 0.0640(15) Uani 1 1 d . . .
N7 N 0.04447(15) 0.3984(3) -0.0717(4) 0.0731(16) Uani 1 1 d . . .
N8 N 0.03046(16) 0.4486(3) 0.1718(3) 0.0742(16) Uani 1 1 d . . .
N9 N 0.17758(11) 0.24599(19) 0.4377(2) 0.0330(9) Uani 1 1 d . . .
N10 N 0.13819(10) 0.14755(18) 0.3415(2) 0.0260(8) Uani 1 1 d . . .
N11 N 0.09661(11) 0.2136(2) 0.2122(2) 0.0363(10) Uani 1 1 d . . .
N12 N 0.17928(11) 0.26138(18) 0.2483(2) 0.0303(9) Uani 1 1 d . . .
N13 N 0.13768(10) 0.35755(18) 0.3006(2) 0.0273(8) Uani 1 1 d . . .
N14 N 0.09516(11) 0.2893(2) 0.3830(3) 0.0378(10) Uani 1 1 d . . .
C1 C 0.46937(15) 0.4435(3) 0.6442(3) 0.0496(15) Uani 1 1 d . . .
C2 C 0.45498(16) 0.4068(3) 0.3859(3) 0.0509(16) Uani 1 1 d . . .
C3 C 0.37445(15) 0.4735(3) 0.4040(3) 0.0365(12) Uani 1 1 d . . .
C4 C 0.26414(15) 0.5256(3) 0.1946(3) 0.0398(12) Uani 1 1 d . . .
C5 C 0.23544(16) 0.4926(3) -0.0689(3) 0.0530(15) Uani 1 1 d . . .
C6 C 0.15814(16) 0.4854(3) 0.0262(3) 0.0409(13) Uani 1 1 d . . .
C7 C 0.02683(18) 0.3871(4) -0.1383(4) 0.0682(19) Uani 1 1 d . . .
C8 C 0.04849(16) 0.4439(3) 0.1218(3) 0.0483(14) Uani 1 1 d . . .
C9 C 0.19532(15) 0.2996(3) 0.4867(3) 0.0411(13) Uani 1 1 d . . .
H9 H 0.1909 0.3464 0.4663 0.049 Uiso 1 1 calc R . .
C10 C 0.21952(16) 0.2900(3) 0.5649(3) 0.0486(14) Uani 1 1 d . . .
H10 H 0.2314 0.3288 0.5967 0.058 Uiso 1 1 calc R . .
C11 C 0.22554(15) 0.2203(3) 0.5945(3) 0.0469(14) Uani 1 1 d . . .
H11 H 0.2416 0.2112 0.6475 0.056 Uiso 1 1 calc R . .
C12 C 0.20755(14) 0.1643(3) 0.5450(3) 0.0393(12) Uani 1 1 d . . .
H12 H 0.2116 0.1172 0.5643 0.047 Uiso 1 1 calc R . .
C13 C 0.18380(13) 0.1781(2) 0.4679(3) 0.0280(10) Uani 1 1 d . . .
C14 C 0.16194(12) 0.1220(2) 0.4115(3) 0.0262(10) Uani 1 1 d . . .
C15 C 0.16400(13) 0.0489(2) 0.4282(3) 0.0281(10) Uani 1 1 d . . .
H15 H 0.1810 0.0314 0.4765 0.034 Uiso 1 1 calc R . .
C16 C 0.14039(13) 0.0020(2) 0.3723(3) 0.0276(10) Uani 1 1 d . . .
C17 C 0.14072(14) -0.0755(2) 0.3923(3) 0.0338(11) Uani 1 1 d . . .
C18 C 0.17501(16) -0.1103(3) 0.4295(3) 0.0472(14) Uani 1 1 d . . .
H18 H 0.1982 -0.0849 0.4412 0.057 Uiso 1 1 calc R . .
C19 C 0.17487(18) -0.1825(3) 0.4491(4) 0.0552(16) Uani 1 1 d . . .
H19 H 0.1982 -0.2052 0.4732 0.066 Uiso 1 1 calc R . .
C20 C 0.1413(2) -0.2217(3) 0.4341(4) 0.0570(16) Uani 1 1 d . . .
C21 C 0.1416(2) -0.3011(3) 0.4587(4) 0.089(2) Uani 1 1 d . . .
H21A H 0.1200 -0.3252 0.4225 0.133 Uiso 1 1 calc R . .
H21B H 0.1397 -0.3051 0.5164 0.133 Uiso 1 1 calc R . .
H21C H 0.1653 -0.3230 0.4527 0.133 Uiso 1 1 calc R . .
C22 C 0.10725(19) -0.1867(3) 0.3968(4) 0.0631(17) Uani 1 1 d . . .
H22 H 0.0842 -0.2125 0.3850 0.076 Uiso 1 1 calc R . .
C23 C 0.10646(17) -0.1150(3) 0.3767(3) 0.0505(14) Uani 1 1 d . . .
H23 H 0.0830 -0.0927 0.3525 0.061 Uiso 1 1 calc R . .
C24 C 0.11631(13) 0.0301(2) 0.2998(3) 0.0289(10) Uani 1 1 d . . .
H24 H 0.1005 -0.0003 0.2611 0.035 Uiso 1 1 calc R . .
C25 C 0.11581(12) 0.1031(2) 0.2851(3) 0.0265(10) Uani 1 1 d . . .
C26 C 0.09167(12) 0.1412(2) 0.2109(3) 0.0296(10) Uani 1 1 d . . .
C27 C 0.06724(15) 0.1073(3) 0.1439(3) 0.0420(13) Uani 1 1 d . . .
H27 H 0.0640 0.0576 0.1440 0.050 Uiso 1 1 calc R . .
C28 C 0.04734(16) 0.1486(3) 0.0758(3) 0.0538(15) Uani 1 1 d . . .
H28 H 0.0304 0.1270 0.0302 0.065 Uiso 1 1 calc R . .
C29 C 0.05307(17) 0.2207(3) 0.0771(4) 0.0597(16) Uani 1 1 d . . .
H29 H 0.0406 0.2489 0.0316 0.072 Uiso 1 1 calc R . .
C30 C 0.07742(15) 0.2519(3) 0.1463(4) 0.0522(15) Uani 1 1 d . . .
H30 H 0.0806 0.3016 0.1471 0.063 Uiso 1 1 calc R . .
C31 C 0.19893(15) 0.2077(3) 0.2217(3) 0.0415(13) Uani 1 1 d . . .
H31 H 0.1940 0.1606 0.2353 0.050 Uiso 1 1 calc R . .
C32 C 0.22603(17) 0.2199(3) 0.1751(3) 0.0515(15) Uani 1 1 d . . .
H32 H 0.2390 0.1817 0.1570 0.062 Uiso 1 1 calc R . .
C33 C 0.23352(17) 0.2894(3) 0.1560(4) 0.0545(15) Uani 1 1 d . . .
H33 H 0.2521 0.2991 0.1258 0.065 Uiso 1 1 calc R . .
C34 C 0.21324(15) 0.3449(3) 0.1820(3) 0.0433(13) Uani 1 1 d . . .
H34 H 0.2179 0.3923 0.1692 0.052 Uiso 1 1 calc R . .
C35 C 0.18592(13) 0.3291(2) 0.2273(3) 0.0290(10) Uani 1 1 d . . .
C36 C 0.16211(13) 0.3847(2) 0.2568(3) 0.0262(10) Uani 1 1 d . . .
C37 C 0.16319(13) 0.4576(2) 0.2414(3) 0.0289(10) Uani 1 1 d . . .
H37 H 0.1804 0.4761 0.2117 0.035 Uiso 1 1 calc R . .
C38 C 0.13801(13) 0.5032(2) 0.2710(3) 0.0278(10) Uani 1 1 d . . .
C39 C 0.13719(14) 0.5806(2) 0.2515(3) 0.0329(11) Uani 1 1 d . . .
C40 C 0.17055(15) 0.6184(3) 0.2511(3) 0.0444(13) Uani 1 1 d . . .
H40 H 0.1943 0.5946 0.2643 0.053 Uiso 1 1 calc R . .
C41 C 0.16956(16) 0.6900(3) 0.2317(4) 0.0505(14) Uani 1 1 d . . .
H41 H 0.1927 0.7139 0.2328 0.061 Uiso 1 1 calc R . .
C42 C 0.13523(17) 0.7276(3) 0.2105(4) 0.0480(14) Uani 1 1 d . . .
C43 C 0.1343(2) 0.8062(3) 0.1869(4) 0.074(2) Uani 1 1 d . . .
H43A H 0.1555 0.8307 0.2240 0.112 Uiso 1 1 calc R . .
H43B H 0.1103 0.8270 0.1921 0.112 Uiso 1 1 calc R . .
H43C H 0.1367 0.8109 0.1296 0.112 Uiso 1 1 calc R . .
C44 C 0.10146(17) 0.6904(3) 0.2098(4) 0.0567(16) Uani 1 1 d . . .
H44 H 0.0778 0.7143 0.1953 0.068 Uiso 1 1 calc R . .
C45 C 0.10228(16) 0.6177(3) 0.2304(3) 0.0499(14) Uani 1 1 d . . .
H45 H 0.0793 0.5937 0.2301 0.060 Uiso 1 1 calc R . .
C46 C 0.11386(13) 0.4738(2) 0.3177(3) 0.0297(11) Uani 1 1 d . . .
H46 H 0.0975 0.5034 0.3397 0.036 Uiso 1 1 calc R . .
C47 C 0.11419(13) 0.4006(2) 0.3316(3) 0.0278(10) Uani 1 1 d . . .
C48 C 0.09031(13) 0.3615(2) 0.3810(3) 0.0316(11) Uani 1 1 d . . .
C49 C 0.06574(15) 0.3946(3) 0.4234(3) 0.0427(13) Uani 1 1 d . . .
H49 H 0.0621 0.4442 0.4197 0.051 Uiso 1 1 calc R . .
C50 C 0.04651(17) 0.3535(3) 0.4716(4) 0.0612(17) Uani 1 1 d . . .
H50 H 0.0304 0.3752 0.5020 0.073 Uiso 1 1 calc R . .
C51 C 0.05161(18) 0.2805(3) 0.4738(4) 0.0647(17) Uani 1 1 d . . .
H51 H 0.0390 0.2518 0.5056 0.078 Uiso 1 1 calc R . .
C52 C 0.07559(16) 0.2502(3) 0.4286(4) 0.0528(15) Uani 1 1 d . . .
H52 H 0.0784 0.2005 0.4294 0.063 Uiso 1 1 calc R . .
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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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 Cu1 N1 176.7(4) . 2_656 ?
N1 Cu1 Cu2 88.3(2) . . ?
N1 Cu1 Cu2 88.3(2) 2_656 . ?
C1 Cu2 C1 176.9(4) . 2_656 ?
C1 Cu2 Cu1 91.6(2) . . ?
C1 Cu2 Cu1 91.6(2) 2_656 . ?
C3 Cu3 N2 132.6(2) . . ?
C3 Cu3 C2 114.7(2) . . ?
N2 Cu3 C2 112.6(2) . . ?
C4 Cu4 N3 136.4(2) . . ?
C4 Cu4 N4 111.3(2) . . ?
N3 Cu4 N4 112.01(19) . . ?
C6 Cu5 C5 135.3(2) . . ?
C6 Cu5 N5 112.3(2) . . ?
C5 Cu5 N5 112.1(2) . . ?
C8 Cu6 N6 132.3(2) . . ?
C8 Cu6 N7 113.8(2) . . ?
N6 Cu6 N7 113.9(2) . . ?
C7 Cu7 C7 175.9(5) . 2_554 ?
N8 Cu8 N8 176.9(4) . 2 ?
N10 Ni1 N13 177.74(15) . . ?
N10 Ni1 N11 78.18(14) . . ?
N13 Ni1 N11 103.82(14) . . ?
N10 Ni1 N14 102.84(14) . . ?
N13 Ni1 N14 78.09(15) . . ?
N11 Ni1 N14 95.73(15) . . ?
N10 Ni1 N12 100.76(14) . . ?
N13 Ni1 N12 78.28(14) . . ?
N11 Ni1 N12 90.11(15) . . ?
N14 Ni1 N12 156.38(14) . . ?
N10 Ni1 N9 78.47(14) . . ?
N13 Ni1 N9 99.54(14) . . ?
N11 Ni1 N9 156.64(14) . . ?
N14 Ni1 N9 89.03(15) . . ?
N12 Ni1 N9 94.63(14) . . ?
C2 N1 Cu1 170.4(6) 5_666 . ?
C1 N2 Cu3 175.8(5) . . ?
C3 N3 Cu4 175.0(5) . . ?
C5 N4 Cu4 174.5(5) 6_566 . ?
C4 N5 Cu5 166.4(5) . . ?
C6 N6 Cu6 176.6(5) . . ?
C7 N7 Cu6 168.0(6) . . ?
C8 N8 Cu8 176.7(5) . . ?
C9 N9 C13 117.8(4) . . ?
C9 N9 Ni1 128.5(3) . . ?
C13 N9 Ni1 113.5(3) . . ?
C14 N10 C25 121.1(4) . . ?
C14 N10 Ni1 119.1(3) . . ?
C25 N10 Ni1 119.8(3) . . ?
C30 N11 C26 118.6(4) . . ?
C30 N11 Ni1 127.1(3) . . ?
C26 N11 Ni1 114.3(3) . . ?
C35 N12 C31 118.6(4) . . ?
C35 N12 Ni1 113.9(3) . . ?
C31 N12 Ni1 127.5(3) . . ?
C47 N13 C36 120.9(4) . . ?
C47 N13 Ni1 119.8(3) . . ?
C36 N13 Ni1 119.3(3) . . ?
C52 N14 C48 118.0(4) . . ?
C52 N14 Ni1 127.5(4) . . ?
C48 N14 Ni1 114.3(3) . . ?
N2 C1 Cu2 177.7(6) . . ?
N1 C2 Cu3 170.3(6) 5_666 . ?
N3 C3 Cu3 178.3(5) . . ?
N5 C4 Cu4 169.5(5) . . ?
N4 C5 Cu5 173.6(5) 6_565 . ?
N6 C6 Cu5 175.1(5) . . ?
N7 C7 Cu7 170.9(7) . . ?
N8 C8 Cu6 176.5(6) . . ?
N9 C9 C10 124.1(5) . . ?
N9 C9 H9 118.0 . . ?
C10 C9 H9 118.0 . . ?
C9 C10 C11 117.3(5) . . ?
C9 C10 H10 121.4 . . ?
C11 C10 H10 121.4 . . ?
C12 C11 C10 119.5(5) . . ?
C12 C11 H11 120.3 . . ?
C10 C11 H11 120.3 . . ?
C13 C12 C11 119.9(5) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
N9 C13 C12 121.5(4) . . ?
N9 C13 C14 114.6(4) . . ?
C12 C13 C14 123.9(4) . . ?
N10 C14 C15 120.7(4) . . ?
N10 C14 C13 114.2(4) . . ?
C15 C14 C13 125.0(4) . . ?
C14 C15 C16 119.4(4) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C24 C16 C15 118.5(4) . . ?
C24 C16 C17 121.8(4) . . ?
C15 C16 C17 119.7(4) . . ?
C18 C17 C23 118.3(4) . . ?
C18 C17 C16 120.9(4) . . ?
C23 C17 C16 120.9(4) . . ?
C19 C18 C17 120.3(5) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C20 C19 C18 121.8(5) . . ?
C20 C19 H19 119.1 . . ?
C18 C19 H19 119.1 . . ?
C19 C20 C22 117.6(5) . . ?
C19 C20 C21 121.0(6) . . ?
C22 C20 C21 121.4(6) . . ?
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 . . ?
C23 C22 C20 122.0(6) . . ?
C23 C22 H22 119.0 . . ?
C20 C22 H22 119.0 . . ?
C22 C23 C17 120.1(5) . . ?
C22 C23 H23 120.0 . . ?
C17 C23 H23 120.0 . . ?
C25 C24 C16 120.0(4) . . ?
C25 C24 H24 120.0 . . ?
C16 C24 H24 120.0 . . ?
N10 C25 C24 120.3(4) . . ?
N10 C25 C26 113.3(4) . . ?
C24 C25 C26 126.4(4) . . ?
N11 C26 C27 121.5(4) . . ?
N11 C26 C25 114.5(4) . . ?
C27 C26 C25 124.0(4) . . ?
C26 C27 C28 118.8(5) . . ?
C26 C27 H27 120.6 . . ?
C28 C27 H27 120.6 . . ?
C29 C28 C27 119.1(5) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
C28 C29 C30 119.6(5) . . ?
C28 C29 H29 120.2 . . ?
C30 C29 H29 120.2 . . ?
N11 C30 C29 122.4(5) . . ?
N11 C30 H30 118.8 . . ?
C29 C30 H30 118.8 . . ?
N12 C31 C32 122.5(5) . . ?
N12 C31 H31 118.7 . . ?
C32 C31 H31 118.7 . . ?
C33 C32 C31 118.6(5) . . ?
C33 C32 H32 120.7 . . ?
C31 C32 H32 120.7 . . ?
C32 C33 C34 119.5(5) . . ?
C32 C33 H33 120.3 . . ?
C34 C33 H33 120.3 . . ?
C33 C34 C35 119.2(5) . . ?
C33 C34 H34 120.4 . . ?
C35 C34 H34 120.4 . . ?
N12 C35 C34 121.6(4) . . ?
N12 C35 C36 115.1(4) . . ?
C34 C35 C36 123.4(4) . . ?
N13 C36 C37 120.9(4) . . ?
N13 C36 C35 113.5(4) . . ?
C37 C36 C35 125.6(4) . . ?
C36 C37 C38 119.0(4) . . ?
C36 C37 H37 120.5 . . ?
C38 C37 H37 120.5 . . ?
C46 C38 C37 118.6(4) . . ?
C46 C38 C39 121.4(4) . . ?
C37 C38 C39 120.0(4) . . ?
C40 C39 C45 117.7(4) . . ?
C40 C39 C38 121.7(4) . . ?
C45 C39 C38 120.6(4) . . ?
C41 C40 C39 121.5(5) . . ?
C41 C40 H40 119.3 . . ?
C39 C40 H40 119.3 . . ?
C40 C41 C42 121.7(5) . . ?
C40 C41 H41 119.2 . . ?
C42 C41 H41 119.2 . . ?
C41 C42 C44 117.6(5) . . ?
C41 C42 C43 121.3(5) . . ?
C44 C42 C43 121.1(5) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 C45 121.0(5) . . ?
C42 C44 H44 119.5 . . ?
C45 C44 H44 119.5 . . ?
C39 C45 C44 120.5(5) . . ?
C39 C45 H45 119.7 . . ?
C44 C45 H45 119.7 . . ?
C47 C46 C38 119.8(4) . . ?
C47 C46 H46 120.1 . . ?
C38 C46 H46 120.1 . . ?
N13 C47 C46 120.7(4) . . ?
N13 C47 C48 113.4(4) . . ?
C46 C47 C48 125.9(4) . . ?
N14 C48 C49 121.6(4) . . ?
N14 C48 C47 114.3(4) . . ?
C49 C48 C47 124.1(4) . . ?
C48 C49 C50 119.5(5) . . ?
C48 C49 H49 120.3 . . ?
C50 C49 H49 120.3 . . ?
C51 C50 C49 118.8(5) . . ?
C51 C50 H50 120.6 . . ?
C49 C50 H50 120.6 . . ?
C50 C51 C52 119.2(5) . . ?
C50 C51 H51 120.4 . . ?
C52 C51 H51 120.4 . . ?
N14 C52 C51 122.8(5) . . ?
N14 C52 H52 118.6 . . ?
C51 C52 H52 118.6 . . ?
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
Cu1 N1 1.930(7) . ?
Cu1 N1 1.930(7) 2_656 ?
Cu1 Cu2 3.005(2) . ?
Cu2 C1 1.807(5) . ?
Cu2 C1 1.807(5) 2_656 ?
Cu3 C3 1.864(5) . ?
Cu3 N2 1.928(6) . ?
Cu3 C2 1.929(6) . ?
Cu4 C4 1.885(5) . ?
Cu4 N3 1.939(6) . ?
Cu4 N4 1.984(5) . ?
Cu5 C6 1.855(6) . ?
Cu5 C5 1.884(6) . ?
Cu5 N5 1.997(5) . ?
Cu6 C8 1.862(6) . ?
Cu6 N6 1.942(6) . ?
Cu6 N7 1.992(6) . ?
Cu7 C7 1.844(6) . ?
Cu7 C7 1.844(6) 2_554 ?
Cu8 N8 1.855(6) . ?
Cu8 N8 1.855(6) 2 ?
Ni1 N10 1.979(3) . ?
Ni1 N13 1.981(3) . ?
Ni1 N11 2.108(4) . ?
Ni1 N14 2.109(4) . ?
Ni1 N12 2.115(4) . ?
Ni1 N9 2.117(4) . ?
N1 C2 1.111(7) 5_666 ?
N2 C1 1.134(7) . ?
N3 C3 1.158(6) . ?
N4 C5 1.141(7) 6_566 ?
N5 C4 1.140(6) . ?
N6 C6 1.164(7) . ?
N7 C7 1.136(7) . ?
N8 C8 1.152(7) . ?
N9 C9 1.337(6) . ?
N9 C13 1.353(5) . ?
N10 C14 1.334(5) . ?
N10 C25 1.347(5) . ?
N11 C30 1.333(6) . ?
N11 C26 1.357(6) . ?
N12 C35 1.339(5) . ?
N12 C31 1.346(6) . ?
N13 C47 1.338(5) . ?
N13 C36 1.344(5) . ?
N14 C52 1.342(6) . ?
N14 C48 1.353(6) . ?
C2 N1 1.111(7) 5_666 ?
C5 N4 1.141(7) 6_565 ?
C9 C10 1.368(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.382(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.377(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.362(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.482(6) . ?
C14 C15 1.384(6) . ?
C15 C16 1.389(6) . ?
C15 H15 0.9300 . ?
C16 C24 1.385(6) . ?
C16 C17 1.476(6) . ?
C17 C18 1.386(7) . ?
C17 C23 1.392(7) . ?
C18 C19 1.380(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.369(8) . ?
C19 H19 0.9300 . ?
C20 C22 1.381(8) . ?
C20 C21 1.529(7) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.372(7) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C25 1.378(6) . ?
C24 H24 0.9300 . ?
C25 C26 1.485(6) . ?
C26 C27 1.376(6) . ?
C27 C28 1.396(7) . ?
C27 H27 0.9300 . ?
C28 C29 1.355(8) . ?
C28 H28 0.9300 . ?
C29 C30 1.375(7) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.377(7) . ?
C31 H31 0.9300 . ?
C32 C33 1.370(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.380(7) . ?
C33 H33 0.9300 . ?
C34 C35 1.382(6) . ?
C34 H34 0.9300 . ?
C35 C36 1.485(6) . ?
C36 C37 1.381(6) . ?
C37 C38 1.398(6) . ?
C37 H37 0.9300 . ?
C38 C46 1.386(6) . ?
C38 C39 1.472(6) . ?
C39 C40 1.378(7) . ?
C39 C45 1.388(7) . ?
C40 C41 1.366(6) . ?
C40 H40 0.9300 . ?
C41 C42 1.376(7) . ?
C41 H41 0.9300 . ?
C42 C44 1.382(7) . ?
C42 C43 1.510(7) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 C45 1.391(7) . ?
C44 H44 0.9300 . ?
C45 H45 0.9300 . ?
C46 C47 1.379(6) . ?
C46 H46 0.9300 . ?
C47 C48 1.489(6) . ?
C48 C49 1.379(6) . ?
C49 C50 1.385(7) . ?
C49 H49 0.9300 . ?
C50 C51 1.368(8) . ?
C50 H50 0.9300 . ?
C51 C52 1.372(8) . ?
C51 H51 0.9300 . ?
C52 H52 0.9300 . ?
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
N1 Cu1 Cu2 C1 -66.1(2) . . . . ?
N1 Cu1 Cu2 C1 113.9(2) 2_656 . . . ?
N1 Cu1 Cu2 C1 113.9(2) . . . 2_656 ?
N1 Cu1 Cu2 C1 -66.1(2) 2_656 . . 2_656 ?
N1 Cu1 N1 C2 -12(3) 2_656 . . 5_666 ?
Cu2 Cu1 N1 C2 -12(3) . . . 5_666 ?
C3 Cu3 N2 C1 -140(7) . . . . ?
C2 Cu3 N2 C1 37(8) . . . . ?
C4 Cu4 N3 C3 -93(5) . . . . ?
N4 Cu4 N3 C3 80(5) . . . . ?
C4 Cu4 N4 C5 129(6) . . . 6_566 ?
N3 Cu4 N4 C5 -46(6) . . . 6_566 ?
C6 Cu5 N5 C4 80.0(19) . . . . ?
C5 Cu5 N5 C4 -95.0(19) . . . . ?
C8 Cu6 N6 C6 148(8) . . . . ?
N7 Cu6 N6 C6 -34(8) . . . . ?
C8 Cu6 N7 C7 109(3) . . . . ?
N6 Cu6 N7 C7 -70(3) . . . . ?
N8 Cu8 N8 C8 32(10) 2 . . . ?
N10 Ni1 N9 C9 -175.7(4) . . . . ?
N13 Ni1 N9 C9 5.4(4) . . . . ?
N11 Ni1 N9 C9 -174.7(4) . . . . ?
N14 Ni1 N9 C9 -72.4(4) . . . . ?
N12 Ni1 N9 C9 84.2(4) . . . . ?
N10 Ni1 N9 C13 -0.3(3) . . . . ?
N13 Ni1 N9 C13 -179.2(3) . . . . ?
N11 Ni1 N9 C13 0.7(6) . . . . ?
N14 Ni1 N9 C13 103.0(3) . . . . ?
N12 Ni1 N9 C13 -100.4(3) . . . . ?
N13 Ni1 N10 C14 27(4) . . . . ?
N11 Ni1 N10 C14 179.0(3) . . . . ?
N14 Ni1 N10 C14 -87.7(3) . . . . ?
N12 Ni1 N10 C14 91.2(3) . . . . ?
N9 Ni1 N10 C14 -1.4(3) . . . . ?
N13 Ni1 N10 C25 -152(4) . . . . ?
N11 Ni1 N10 C25 0.3(3) . . . . ?
N14 Ni1 N10 C25 93.6(3) . . . . ?
N12 Ni1 N10 C25 -87.5(3) . . . . ?
N9 Ni1 N10 C25 179.9(3) . . . . ?
N10 Ni1 N11 C30 -177.2(5) . . . . ?
N13 Ni1 N11 C30 1.8(5) . . . . ?
N14 Ni1 N11 C30 80.9(5) . . . . ?
N12 Ni1 N11 C30 -76.2(4) . . . . ?
N9 Ni1 N11 C30 -178.2(4) . . . . ?
N10 Ni1 N11 C26 0.2(3) . . . . ?
N13 Ni1 N11 C26 179.1(3) . . . . ?
N14 Ni1 N11 C26 -101.8(3) . . . . ?
N12 Ni1 N11 C26 101.1(3) . . . . ?
N9 Ni1 N11 C26 -0.9(6) . . . . ?
N10 Ni1 N12 C35 -177.1(3) . . . . ?
N13 Ni1 N12 C35 0.8(3) . . . . ?
N11 Ni1 N12 C35 104.9(3) . . . . ?
N14 Ni1 N12 C35 0.2(6) . . . . ?
N9 Ni1 N12 C35 -98.0(3) . . . . ?
N10 Ni1 N12 C31 4.0(4) . . . . ?
N13 Ni1 N12 C31 -178.0(4) . . . . ?
N11 Ni1 N12 C31 -73.9(4) . . . . ?
N14 Ni1 N12 C31 -178.6(4) . . . . ?
N9 Ni1 N12 C31 83.2(4) . . . . ?
N10 Ni1 N13 C47 -115(4) . . . . ?
N11 Ni1 N13 C47 92.5(3) . . . . ?
N14 Ni1 N13 C47 -0.5(3) . . . . ?
N12 Ni1 N13 C47 179.7(3) . . . . ?
N9 Ni1 N13 C47 -87.5(3) . . . . ?
N10 Ni1 N13 C36 64(4) . . . . ?
N11 Ni1 N13 C36 -87.8(3) . . . . ?
N14 Ni1 N13 C36 179.2(3) . . . . ?
N12 Ni1 N13 C36 -0.6(3) . . . . ?
N9 Ni1 N13 C36 92.2(3) . . . . ?
N10 Ni1 N14 C52 1.7(5) . . . . ?
N13 Ni1 N14 C52 -176.2(5) . . . . ?
N11 Ni1 N14 C52 80.9(5) . . . . ?
N12 Ni1 N14 C52 -175.6(4) . . . . ?
N9 Ni1 N14 C52 -76.2(5) . . . . ?
N10 Ni1 N14 C48 176.8(3) . . . . ?
N13 Ni1 N14 C48 -1.1(3) . . . . ?
N11 Ni1 N14 C48 -104.1(3) . . . . ?
N12 Ni1 N14 C48 -0.5(6) . . . . ?
N9 Ni1 N14 C48 98.9(3) . . . . ?
Cu3 N2 C1 Cu2 -5(21) . . . . ?
C1 Cu2 C1 N2 -100(15) 2_656 . . . ?
Cu1 Cu2 C1 N2 80(15) . . . . ?
C3 Cu3 C2 N1 53(4) . . . 5_666 ?
N2 Cu3 C2 N1 -124(3) . . . 5_666 ?
Cu4 N3 C3 Cu3 32(22) . . . . ?
N2 Cu3 C3 N3 -135(17) . . . . ?
C2 Cu3 C3 N3 49(18) . . . . ?
Cu5 N5 C4 Cu4 -44(4) . . . . ?
N3 Cu4 C4 N5 130(3) . . . . ?
N4 Cu4 C4 N5 -43(3) . . . . ?
C6 Cu5 C5 N4 -164(5) . . . 6_565 ?
N5 Cu5 C5 N4 10(5) . . . 6_565 ?
Cu6 N6 C6 Cu5 -39(13) . . . . ?
C5 Cu5 C6 N6 74(6) . . . . ?
N5 Cu5 C6 N6 -99(6) . . . . ?
Cu6 N7 C7 Cu7 8(6) . . . . ?
C7 Cu7 C7 N7 -18(4) 2_554 . . . ?
Cu8 N8 C8 Cu6 90(14) . . . . ?
N6 Cu6 C8 N8 122(9) . . . . ?
N7 Cu6 C8 N8 -56(9) . . . . ?
C13 N9 C9 C10 0.5(8) . . . . ?
Ni1 N9 C9 C10 175.7(4) . . . . ?
N9 C9 C10 C11 -0.4(8) . . . . ?
C9 C10 C11 C12 0.5(8) . . . . ?
C10 C11 C12 C13 -0.6(8) . . . . ?
C9 N9 C13 C12 -0.6(7) . . . . ?
Ni1 N9 C13 C12 -176.5(4) . . . . ?
C9 N9 C13 C14 177.7(4) . . . . ?
Ni1 N9 C13 C14 1.7(5) . . . . ?
C11 C12 C13 N9 0.6(7) . . . . ?
C11 C12 C13 C14 -177.5(5) . . . . ?
C25 N10 C14 C15 -0.4(6) . . . . ?
Ni1 N10 C14 C15 -179.1(3) . . . . ?
C25 N10 C14 C13 -178.6(4) . . . . ?
Ni1 N10 C14 C13 2.7(5) . . . . ?
N9 C13 C14 N10 -2.9(6) . . . . ?
C12 C13 C14 N10 175.3(4) . . . . ?
N9 C13 C14 C15 179.1(4) . . . . ?
C12 C13 C14 C15 -2.7(7) . . . . ?
N10 C14 C15 C16 -1.4(6) . . . . ?
C13 C14 C15 C16 176.5(4) . . . . ?
C14 C15 C16 C24 2.0(6) . . . . ?
C14 C15 C16 C17 -176.3(4) . . . . ?
C24 C16 C17 C18 142.6(5) . . . . ?
C15 C16 C17 C18 -39.1(7) . . . . ?
C24 C16 C17 C23 -39.2(7) . . . . ?
C15 C16 C17 C23 139.0(5) . . . . ?
C23 C17 C18 C19 0.8(8) . . . . ?
C16 C17 C18 C19 179.0(5) . . . . ?
C17 C18 C19 C20 -1.0(9) . . . . ?
C18 C19 C20 C22 1.2(9) . . . . ?
C18 C19 C20 C21 -178.2(6) . . . . ?
C19 C20 C22 C23 -1.3(10) . . . . ?
C21 C20 C22 C23 178.1(6) . . . . ?
C20 C22 C23 C17 1.1(9) . . . . ?
C18 C17 C23 C22 -0.9(8) . . . . ?
C16 C17 C23 C22 -179.1(5) . . . . ?
C15 C16 C24 C25 -0.8(6) . . . . ?
C17 C16 C24 C25 177.5(4) . . . . ?
C14 N10 C25 C24 1.7(6) . . . . ?
Ni1 N10 C25 C24 -179.6(3) . . . . ?
C14 N10 C25 C26 -179.4(4) . . . . ?
Ni1 N10 C25 C26 -0.7(5) . . . . ?
C16 C24 C25 N10 -1.1(6) . . . . ?
C16 C24 C25 C26 -179.8(4) . . . . ?
C30 N11 C26 C27 -0.5(7) . . . . ?
Ni1 N11 C26 C27 -178.1(4) . . . . ?
C30 N11 C26 C25 177.0(4) . . . . ?
Ni1 N11 C26 C25 -0.6(5) . . . . ?
N10 C25 C26 N11 0.8(5) . . . . ?
C24 C25 C26 N11 179.6(4) . . . . ?
N10 C25 C26 C27 178.3(4) . . . . ?
C24 C25 C26 C27 -2.9(7) . . . . ?
N11 C26 C27 C28 0.3(7) . . . . ?
C25 C26 C27 C28 -177.0(5) . . . . ?
C26 C27 C28 C29 0.9(8) . . . . ?
C27 C28 C29 C30 -1.9(9) . . . . ?
C26 N11 C30 C29 -0.4(8) . . . . ?
Ni1 N11 C30 C29 176.8(4) . . . . ?
C28 C29 C30 N11 1.7(9) . . . . ?
C35 N12 C31 C32 1.1(7) . . . . ?
Ni1 N12 C31 C32 179.9(4) . . . . ?
N12 C31 C32 C33 0.8(8) . . . . ?
C31 C32 C33 C34 -1.5(8) . . . . ?
C32 C33 C34 C35 0.4(8) . . . . ?
C31 N12 C35 C34 -2.3(7) . . . . ?
Ni1 N12 C35 C34 178.8(4) . . . . ?
C31 N12 C35 C36 178.1(4) . . . . ?
Ni1 N12 C35 C36 -0.8(5) . . . . ?
C33 C34 C35 N12 1.5(7) . . . . ?
C33 C34 C35 C36 -178.9(5) . . . . ?
C47 N13 C36 C37 -1.1(6) . . . . ?
Ni1 N13 C36 C37 179.3(3) . . . . ?
C47 N13 C36 C35 180.0(4) . . . . ?
Ni1 N13 C36 C35 0.3(5) . . . . ?
N12 C35 C36 N13 0.4(6) . . . . ?
C34 C35 C36 N13 -179.2(4) . . . . ?
N12 C35 C36 C37 -178.5(4) . . . . ?
C34 C35 C36 C37 1.9(7) . . . . ?
N13 C36 C37 C38 -0.9(6) . . . . ?
C35 C36 C37 C38 177.9(4) . . . . ?
C36 C37 C38 C46 2.5(6) . . . . ?
C36 C37 C38 C39 -176.8(4) . . . . ?
C46 C38 C39 C40 142.2(5) . . . . ?
C37 C38 C39 C40 -38.5(7) . . . . ?
C46 C38 C39 C45 -39.7(7) . . . . ?
C37 C38 C39 C45 139.6(5) . . . . ?
C45 C39 C40 C41 0.8(8) . . . . ?
C38 C39 C40 C41 178.9(5) . . . . ?
C39 C40 C41 C42 -0.9(9) . . . . ?
C40 C41 C42 C44 0.3(9) . . . . ?
C40 C41 C42 C43 -178.4(6) . . . . ?
C41 C42 C44 C45 0.5(9) . . . . ?
C43 C42 C44 C45 179.2(6) . . . . ?
C40 C39 C45 C44 0.0(8) . . . . ?
C38 C39 C45 C44 -178.2(5) . . . . ?
C42 C44 C45 C39 -0.6(9) . . . . ?
C37 C38 C46 C47 -2.1(7) . . . . ?
C39 C38 C46 C47 177.1(4) . . . . ?
C36 N13 C47 C46 1.4(6) . . . . ?
Ni1 N13 C47 C46 -178.9(3) . . . . ?
C36 N13 C47 C48 -177.8(4) . . . . ?
Ni1 N13 C47 C48 1.9(5) . . . . ?
C38 C46 C47 N13 0.2(7) . . . . ?
C38 C46 C47 C48 179.3(4) . . . . ?
C52 N14 C48 C49 -0.7(7) . . . . ?
Ni1 N14 C48 C49 -176.3(4) . . . . ?
C52 N14 C48 C47 177.9(4) . . . . ?
Ni1 N14 C48 C47 2.3(5) . . . . ?
N13 C47 C48 N14 -2.7(6) . . . . ?
C46 C47 C48 N14 178.1(4) . . . . ?
N13 C47 C48 C49 175.9(4) . . . . ?
C46 C47 C48 C49 -3.3(7) . . . . ?
N14 C48 C49 C50 2.2(8) . . . . ?
C47 C48 C49 C50 -176.3(5) . . . . ?
C48 C49 C50 C51 -1.9(9) . . . . ?
C49 C50 C51 C52 0.1(10) . . . . ?
C48 N14 C52 C51 -1.1(8) . . . . ?
Ni1 N14 C52 C51 173.8(4) . . . . ?
C50 C51 C52 N14 1.4(10) . . . . ?
