#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:31:19 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179533 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/02/4500291.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_4500291
loop_
_publ_author_name
'Aijaz, Arshad'
'Sañudo, E. Carolina'
'Bharadwaj, Parimal K.'
_publ_section_title
;
 Construction of Coordination Polymers with a Bifurcating Ligand:
 Synthesis, Structure, Photoluminescence, and Magnetic Studies
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1122
_journal_paper_doi               10.1021/cg101351b
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         'C26 H28 N8 Ni O9'
_chemical_formula_sum            'C26 H28 N8 Ni O9'
_chemical_formula_weight         655.27
_chemical_name_systematic
;
 ?
;
_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                70.495(5)
_cell_angle_beta                 67.445(5)
_cell_angle_gamma                88.465(3)
_cell_formula_units_Z            2
_cell_length_a                   10.619(4)
_cell_length_b                   11.171(5)
_cell_length_c                   13.429(4)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.0
_cell_measurement_theta_min      2.1
_cell_volume                     1377.3(9)
_computing_cell_refinement       'SAINT 6.45 ( Bruker, 2003)'
_computing_data_collection       'SMART 5.628 (Bruker, 2003)'
_computing_data_reduction        'SAINT 6.45 ( Bruker, 2003)'
_computing_molecular_graphics    'DIAMOND 2.1e'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'BRUKER SMART APEX'
_diffrn_measurement_method       /w-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_av_sigmaI/netI    0.0672
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8313
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    0.775
_exptl_absorpt_correction_T_max  0.9265
_exptl_absorpt_correction_T_min  0.8993
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.782
_refine_diff_density_min         -0.858
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     440
_refine_ls_number_reflns         5816
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0547
_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)+(0.0757P)²+2.3003P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1311
_refine_ls_wR_factor_ref         0.1746
_reflns_number_gt                4232
_reflns_number_total             5816
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg101351b_si_002.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1377.3(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4500291
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
Ni1 Ni 0.0000 1.0000 1.0000 0.01464(19) Uani 1 2 d S
Ni2 Ni 0.5000 0.5000 0.5000 0.01517(19) Uani 1 2 d S
OW1 O -0.0459(3) 0.8336(3) 0.9753(3) 0.0204(6) Uani 1 1 d D
OW2 O 0.6851(3) 0.5108(3) 0.3654(2) 0.0203(6) Uani 1 1 d D
OW3 O 0.2361(3) 0.7457(3) 0.7524(2) 0.0220(7) Uani 1 1 d D
OW4 O -0.0079(4) 0.4426(4) 0.8799(3) 0.0397(9) Uani 1 1 d D
OW5 O 0.0604(4) 0.5462(4) 0.6496(3) 0.0320(8) Uani 1 1 d D
O1 O 0.7892(3) 0.4774(3) 1.0619(2) 0.0232(7) Uani 1 1 d .
O2 O 0.7156(4) 0.6264(3) 1.1399(3) 0.0364(9) Uani 1 1 d .
O3 O 0.1112(3) 1.1378(3) 0.2018(2) 0.0245(7) Uani 1 1 d .
O4 O -0.0302(3) 1.2206(3) 0.3286(3) 0.0261(7) Uani 1 1 d .
N1 N 0.1866(4) 0.9316(3) 1.0000(3) 0.0180(7) Uani 1 1 d .
N2 N 0.3686(4) 0.8244(3) 0.9845(3) 0.0186(7) Uani 1 1 d .
N3 N 0.6234(3) 0.5893(3) 0.7344(3) 0.0162(7) Uani 1 1 d .
N4 N 0.5930(3) 0.5381(3) 0.6001(3) 0.0170(7) Uani 1 1 d .
N5 N 0.0832(3) 1.0934(3) 0.8242(3) 0.0165(7) Uani 1 1 d .
N6 N 0.1539(4) 1.1261(3) 0.6392(3) 0.0172(7) Uani 1 1 d .
N7 N 0.4041(3) 0.8847(3) 0.3977(3) 0.0173(7) Uani 1 1 d .
N8 N 0.4847(3) 0.6974(3) 0.4256(3) 0.0164(7) Uani 1 1 d .
C1 C 0.2532(5) 0.9609(5) 1.0605(4) 0.0303(11) Uani 1 1 d .
H1 H 0.2260 1.0169 1.1008 0.036 Uiso 1 1 calc R
C2 C 0.3639(5) 0.8960(5) 1.0526(4) 0.0327(12) Uani 1 1 d .
H2 H 0.4252 0.8988 1.0863 0.039 Uiso 1 1 calc R
C3 C 0.2577(4) 0.8496(4) 0.9555(3) 0.0168(8) Uani 1 1 d .
H3 H 0.2354 0.8136 0.9103 0.020 Uiso 1 1 calc R
C4 C 0.4704(4) 0.7431(4) 0.9545(3) 0.0165(8) Uani 1 1 d .
C5 C 0.4972(4) 0.7113(4) 0.8562(3) 0.0168(8) Uani 1 1 d .
H5 H 0.4499 0.7439 0.8091 0.020 Uiso 1 1 calc R
C6 C 0.5970(4) 0.6294(4) 0.8308(3) 0.0173(8) Uani 1 1 d .
C7 C 0.6689(4) 0.5825(4) 0.9006(3) 0.0153(8) Uani 1 1 d .
H7 H 0.7342 0.5272 0.8838 0.018 Uiso 1 1 calc R
C8 C 0.6427(4) 0.6188(4) 0.9960(3) 0.0163(8) Uani 1 1 d .
C9 C 0.5435(4) 0.6977(4) 1.0226(3) 0.0197(9) Uani 1 1 d .
H9 H 0.5254 0.7208 1.0868 0.024 Uiso 1 1 calc R
C10 C 0.7219(4) 0.5701(4) 1.0712(3) 0.0182(8) Uani 1 1 d .
C11 C 0.5415(4) 0.5931(4) 0.6787(3) 0.0187(8) Uani 1 1 d .
H11 H 0.4595 0.6294 0.6931 0.022 Uiso 1 1 calc R
C12 C 0.7134(4) 0.4966(4) 0.6076(3) 0.0173(8) Uani 1 1 d .
H12 H 0.7718 0.4540 0.5627 0.021 Uiso 1 1 calc R
C13 C 0.7338(4) 0.5268(4) 0.6894(3) 0.0196(9) Uani 1 1 d .
H13 H 0.8073 0.5093 0.7114 0.024 Uiso 1 1 calc R
C14 C 0.0619(5) 1.2161(4) 0.7684(3) 0.0211(9) Uani 1 1 d .
H14 H 0.0244 1.2746 0.8041 0.025 Uiso 1 1 calc R
C15 C 0.1036(5) 1.2382(4) 0.6551(4) 0.0223(9) Uani 1 1 d .
H15 H 0.0996 1.3126 0.5990 0.027 Uiso 1 1 calc R
C16 C 0.1380(4) 1.0433(4) 0.7444(3) 0.0173(8) Uani 1 1 d .
H16 H 0.1631 0.9608 0.7581 0.021 Uiso 1 1 calc R
C17 C 0.1896(4) 1.0965(4) 0.5372(3) 0.0177(8) Uani 1 1 d .
C18 C 0.2870(4) 1.0126(4) 0.5143(3) 0.0163(8) Uani 1 1 d .
H18 H 0.3342 0.9806 0.5615 0.020 Uiso 1 1 calc R
C19 C 0.3116(4) 0.9779(4) 0.4185(3) 0.0167(8) Uani 1 1 d .
C20 C 0.2460(4) 1.0287(4) 0.3454(3) 0.0181(8) Uani 1 1 d .
H20 H 0.2658 1.0063 0.2806 0.022 Uiso 1 1 calc R
C21 C 0.1507(4) 1.1133(4) 0.3685(3) 0.0174(8) Uani 1 1 d .
C22 C 0.1215(4) 1.1464(4) 0.4658(3) 0.0176(8) Uani 1 1 d .
H22 H 0.0563 1.2019 0.4826 0.021 Uiso 1 1 calc R
C23 C 0.0705(4) 1.1632(4) 0.2931(3) 0.0187(8) Uani 1 1 d .
C24 C 0.5039(4) 0.8900(4) 0.2941(4) 0.0226(9) Uani 1 1 d .
H24 H 0.5322 0.9591 0.2251 0.027 Uiso 1 1 calc R
C25 C 0.5532(4) 0.7756(4) 0.3116(3) 0.0202(9) Uani 1 1 d .
H25 H 0.6226 0.7526 0.2558 0.024 Uiso 1 1 calc R
C26 C 0.3972(4) 0.7663(4) 0.4752(3) 0.0199(9) Uani 1 1 d .
H26 H 0.3384 0.7382 0.5527 0.024 Uiso 1 1 calc R
H1W1 H -0.100(6) 0.777(6) 1.031(4) 0.010(3) Uiso 1 1 d D
H2W1 H -0.059(6) 0.829(6) 0.920(3) 0.011(18) Uiso 1 1 d D
H2W2 H 0.761(3) 0.502(5) 0.366(4) 0.039(16) Uiso 1 1 d D
H1W2 H 0.697(6) 0.546(6) 0.297(2) 0.012(2) Uiso 1 1 d D
H2W5 H 0.034(6) 0.511(5) 0.7197(19) 0.047(19) Uiso 1 1 d D
H1W5 H 0.049(9) 0.622(2) 0.641(5) 0.10(3) Uiso 1 1 d D
H1W4 H -0.071(5) 0.447(6) 0.939(3) 0.06(2) Uiso 1 1 d D
H2W4 H 0.060(5) 0.455(9) 0.893(7) 0.12(4) Uiso 1 1 d D
H2W3 H 0.214(4) 0.681(3) 0.810(3) 0.020(12) Uiso 1 1 d D
H1W3 H 0.171(5) 0.751(6) 0.733(5) 0.08(2) Uiso 1 1 d D
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
N5 Ni1 N5 180.000(1) 2_577 .
N5 Ni1 OW1 90.47(13) 2_577 .
N5 Ni1 OW1 89.53(13) . .
N5 Ni1 OW1 89.53(13) 2_577 2_577
N5 Ni1 OW1 90.47(13) . 2_577
OW1 Ni1 OW1 180.00(16) . 2_577
N5 Ni1 N1 92.65(13) 2_577 2_577
N5 Ni1 N1 87.35(13) . 2_577
OW1 Ni1 N1 92.61(13) . 2_577
OW1 Ni1 N1 87.39(13) 2_577 2_577
N5 Ni1 N1 87.35(13) 2_577 .
N5 Ni1 N1 92.65(13) . .
OW1 Ni1 N1 87.39(13) . .
OW1 Ni1 N1 92.61(13) 2_577 .
N1 Ni1 N1 180.0(2) 2_577 .
OW2 Ni2 OW2 180.0 2_666 .
OW2 Ni2 N4 93.80(13) 2_666 2_666
OW2 Ni2 N4 86.20(13) . 2_666
OW2 Ni2 N4 86.20(13) 2_666 .
OW2 Ni2 N4 93.80(13) . .
N4 Ni2 N4 180.00(18) 2_666 .
OW2 Ni2 N8 91.86(12) 2_666 2_666
OW2 Ni2 N8 88.14(12) . 2_666
N4 Ni2 N8 91.57(13) 2_666 2_666
N4 Ni2 N8 88.43(13) . 2_666
OW2 Ni2 N8 88.14(12) 2_666 .
OW2 Ni2 N8 91.86(12) . .
N4 Ni2 N8 88.43(13) 2_666 .
N4 Ni2 N8 91.57(13) . .
N8 Ni2 N8 180.000(1) 2_666 .
C3 N1 C1 106.0(3) . .
C3 N1 Ni1 131.2(3) . .
C1 N1 Ni1 122.6(3) . .
C3 N2 C2 105.9(3) . .
C3 N2 C4 129.4(3) . .
C2 N2 C4 124.7(3) . .
C11 N3 C13 107.2(3) . .
C11 N3 C6 127.2(3) . .
C13 N3 C6 125.3(3) . .
C11 N4 C12 105.7(3) . .
C11 N4 Ni2 127.6(3) . .
C12 N4 Ni2 126.3(3) . .
C16 N5 C14 105.9(3) . .
C16 N5 Ni1 127.6(3) . .
C14 N5 Ni1 124.9(3) . .
C16 N6 C15 106.5(3) . .
C16 N6 C17 126.3(3) . .
C15 N6 C17 126.2(3) . .
C26 N7 C24 106.9(3) . .
C26 N7 C19 125.7(3) . .
C24 N7 C19 126.9(3) . .
C26 N8 C25 105.8(3) . .
C26 N8 Ni2 126.7(3) . .
C25 N8 Ni2 127.0(3) . .
C2 C1 N1 109.9(4) . .
C1 C2 N2 106.8(4) . .
N1 C3 N2 111.4(3) . .
C9 C4 C5 120.9(4) . .
C9 C4 N2 118.9(3) . .
C5 C4 N2 120.2(3) . .
C6 C5 C4 118.3(4) . .
C7 C6 C5 120.5(4) . .
C7 C6 N3 119.1(3) . .
C5 C6 N3 120.3(3) . .
C6 C7 C8 119.9(4) . .
C9 C8 C7 120.0(4) . .
C9 C8 C10 119.8(3) . .
C7 C8 C10 120.2(3) . .
C8 C9 C4 120.4(4) . .
O1 C10 O2 124.2(4) . .
O1 C10 C8 118.8(3) . .
O2 C10 C8 117.0(4) . .
N4 C11 N3 111.0(3) . .
C13 C12 N4 109.9(3) . .
C12 C13 N3 106.2(3) . .
C15 C14 N5 110.1(3) . .
C14 C15 N6 105.8(3) . .
N5 C16 N6 111.8(4) . .
C22 C17 C18 121.1(4) . .
C22 C17 N6 119.2(3) . .
C18 C17 N6 119.6(3) . .
C17 C18 C19 118.1(4) . .
C20 C19 C18 121.4(4) . .
C20 C19 N7 119.5(3) . .
C18 C19 N7 119.1(3) . .
C19 C20 C21 119.9(4) . .
C20 C21 C22 119.7(4) . .
C20 C21 C23 120.4(3) . .
C22 C21 C23 119.7(3) . .
C17 C22 C21 119.8(4) . .
O4 C23 O3 126.7(4) . .
O4 C23 C21 117.7(3) . .
O3 C23 C21 115.5(3) . .
C25 C24 N7 106.7(4) . .
C24 C25 N8 109.6(4) . .
N8 C26 N7 110.9(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N5 2.061(3) 2_577
Ni1 N5 2.061(3) .
Ni1 OW1 2.095(3) .
Ni1 OW1 2.095(3) 2_577
Ni1 N1 2.104(3) 2_577
Ni1 N1 2.104(3) .
Ni2 OW2 2.070(3) 2_666
Ni2 OW2 2.070(3) .
Ni2 N4 2.094(3) 2_666
Ni2 N4 2.094(3) .
Ni2 N8 2.126(3) 2_666
Ni2 N8 2.126(3) .
O1 C10 1.256(5) .
O2 C10 1.261(5) .
O3 C23 1.261(5) .
O4 C23 1.249(5) .
N1 C3 1.322(5) .
N1 C1 1.378(5) .
N2 C3 1.370(5) .
N2 C2 1.389(5) .
N2 C4 1.419(5) .
N3 C11 1.338(5) .
N3 C13 1.387(5) .
N3 C6 1.435(5) .
N4 C11 1.327(5) .
N4 C12 1.377(5) .
N5 C16 1.306(5) .
N5 C14 1.385(5) .
N6 C16 1.353(5) .
N6 C15 1.398(5) .
N6 C17 1.423(5) .
N7 C26 1.366(5) .
N7 C24 1.371(5) .
N7 C19 1.434(5) .
N8 C26 1.315(5) .
N8 C25 1.386(5) .
C1 C2 1.352(6) .
C4 C9 1.382(5) .
C4 C5 1.404(5) .
C5 C6 1.398(5) .
C6 C7 1.392(5) .
C7 C8 1.396(5) .
C8 C9 1.374(5) .
C8 C10 1.510(5) .
C12 C13 1.341(5) .
C14 C15 1.346(6) .
C17 C22 1.380(6) .
C17 C18 1.393(5) .
C18 C19 1.394(5) .
C19 C20 1.380(5) .
C20 C21 1.384(5) .
C21 C22 1.395(5) .
C21 C23 1.523(6) .
C24 C25 1.350(6) .
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
N5 Ni1 N1 C3 114.0(4) 2_577
N5 Ni1 N1 C3 -66.0(4) .
OW1 Ni1 N1 C3 23.4(4) .
OW1 Ni1 N1 C3 -156.6(4) 2_577
N1 Ni1 N1 C3 -149(100) 2_577
N5 Ni1 N1 C1 -60.0(4) 2_577
N5 Ni1 N1 C1 120.0(4) .
OW1 Ni1 N1 C1 -150.6(4) .
OW1 Ni1 N1 C1 29.4(4) 2_577
N1 Ni1 N1 C1 37(100) 2_577
OW2 Ni2 N4 C11 -28.0(4) 2_666
OW2 Ni2 N4 C11 152.0(4) .
N4 Ni2 N4 C11 64(100) 2_666
N8 Ni2 N4 C11 -119.9(4) 2_666
N8 Ni2 N4 C11 60.1(4) .
OW2 Ni2 N4 C12 143.3(3) 2_666
OW2 Ni2 N4 C12 -36.7(3) .
N4 Ni2 N4 C12 -125(100) 2_666
N8 Ni2 N4 C12 51.4(3) 2_666
N8 Ni2 N4 C12 -128.6(3) .
N5 Ni1 N5 C16 44(100) 2_577
OW1 Ni1 N5 C16 -27.1(4) .
OW1 Ni1 N5 C16 152.9(4) 2_577
N1 Ni1 N5 C16 -119.7(4) 2_577
N1 Ni1 N5 C16 60.3(4) .
N5 Ni1 N5 C14 -152(100) 2_577
OW1 Ni1 N5 C14 136.6(3) .
OW1 Ni1 N5 C14 -43.4(3) 2_577
N1 Ni1 N5 C14 44.0(3) 2_577
N1 Ni1 N5 C14 -136.0(3) .
OW2 Ni2 N8 C26 11.2(3) 2_666
OW2 Ni2 N8 C26 -168.8(3) .
N4 Ni2 N8 C26 105.1(4) 2_666
N4 Ni2 N8 C26 -74.9(4) .
N8 Ni2 N8 C26 -117(100) 2_666
OW2 Ni2 N8 C25 -160.5(3) 2_666
OW2 Ni2 N8 C25 19.5(3) .
N4 Ni2 N8 C25 -66.6(3) 2_666
N4 Ni2 N8 C25 113.4(3) .
N8 Ni2 N8 C25 71(100) 2_666
C3 N1 C1 C2 -0.2(6) .
Ni1 N1 C1 C2 175.0(3) .
N1 C1 C2 N2 0.5(6) .
C3 N2 C2 C1 -0.5(5) .
C4 N2 C2 C1 179.6(4) .
C1 N1 C3 N2 -0.1(5) .
Ni1 N1 C3 N2 -174.8(3) .
C2 N2 C3 N1 0.4(5) .
C4 N2 C3 N1 -179.7(4) .
C3 N2 C4 C9 -157.9(4) .
C2 N2 C4 C9 21.9(6) .
C3 N2 C4 C5 23.0(6) .
C2 N2 C4 C5 -157.1(4) .
C9 C4 C5 C6 1.9(6) .
N2 C4 C5 C6 -179.1(4) .
C4 C5 C6 C7 -0.9(6) .
C4 C5 C6 N3 177.0(4) .
C11 N3 C6 C7 159.5(4) .
C13 N3 C6 C7 -13.5(6) .
C11 N3 C6 C5 -18.5(6) .
C13 N3 C6 C5 168.5(4) .
C5 C6 C7 C8 -0.9(6) .
N3 C6 C7 C8 -178.9(4) .
C6 C7 C8 C9 1.8(6) .
C6 C7 C8 C10 -179.0(4) .
C7 C8 C9 C4 -0.9(6) .
C10 C8 C9 C4 179.9(4) .
C5 C4 C9 C8 -1.0(6) .
N2 C4 C9 C8 180.0(4) .
C9 C8 C10 O1 164.4(4) .
C7 C8 C10 O1 -14.8(6) .
C9 C8 C10 O2 -15.6(6) .
C7 C8 C10 O2 165.2(4) .
C12 N4 C11 N3 0.5(5) .
Ni2 N4 C11 N3 173.2(3) .
C13 N3 C11 N4 -0.6(5) .
C6 N3 C11 N4 -174.6(4) .
C11 N4 C12 C13 -0.2(5) .
Ni2 N4 C12 C13 -173.1(3) .
N4 C12 C13 N3 -0.1(5) .
C11 N3 C13 C12 0.4(5) .
C6 N3 C13 C12 174.6(4) .
C16 N5 C14 C15 0.5(5) .
Ni1 N5 C14 C15 -166.1(3) .
N5 C14 C15 N6 -0.7(5) .
C16 N6 C15 C14 0.6(5) .
C17 N6 C15 C14 169.6(4) .
C14 N5 C16 N6 -0.1(5) .
Ni1 N5 C16 N6 166.0(3) .
C15 N6 C16 N5 -0.3(5) .
C17 N6 C16 N5 -169.3(4) .
C16 N6 C17 C22 137.1(4) .
C15 N6 C17 C22 -29.8(6) .
C16 N6 C17 C18 -39.4(6) .
C15 N6 C17 C18 153.7(4) .
C22 C17 C18 C19 -1.4(6) .
N6 C17 C18 C19 175.0(4) .
C17 C18 C19 C20 2.6(6) .
C17 C18 C19 N7 -175.6(4) .
C26 N7 C19 C20 -125.7(4) .
C24 N7 C19 C20 45.3(6) .
C26 N7 C19 C18 52.6(6) .
C24 N7 C19 C18 -136.4(4) .
C18 C19 C20 C21 -1.9(6) .
N7 C19 C20 C21 176.3(4) .
C19 C20 C21 C22 0.0(6) .
C19 C20 C21 C23 -175.9(4) .
C18 C17 C22 C21 -0.4(6) .
N6 C17 C22 C21 -176.9(4) .
C20 C21 C22 C17 1.2(6) .
C23 C21 C22 C17 177.0(4) .
C20 C21 C23 O4 167.7(4) .
C22 C21 C23 O4 -8.1(6) .
C20 C21 C23 O3 -10.0(6) .
C22 C21 C23 O3 174.2(4) .
C26 N7 C24 C25 0.4(5) .
C19 N7 C24 C25 -172.0(4) .
N7 C24 C25 N8 0.3(5) .
C26 N8 C25 C24 -1.0(5) .
Ni2 N8 C25 C24 172.1(3) .
C25 N8 C26 N7 1.3(5) .
Ni2 N8 C26 N7 -171.9(3) .
C24 N7 C26 N8 -1.1(5) .
C19 N7 C26 N8 171.4(4) .
