#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:25:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179376 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/73/4327314.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_4327314
loop_
_publ_author_name
'Indu Vidyaratne'
'Sandro Gambarotta'
'Ilia Korobkov'
'Peter H. M. Budzelaar'
_publ_section_title
;
 Dinitrogen Partial Reduction by Formally Zero- and Divalent Vanadium
 Complexes Supported by the Bis-iminopyridine System
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1187
_journal_page_last               1189
_journal_paper_doi               10.1021/ic048358+
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C40 H56 N4 O V'
_chemical_formula_weight         659.86
_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                 112.754(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.093(4)
_cell_length_b                   11.7898(18)
_cell_length_c                   30.183(5)
_cell_measurement_reflns_used    117
_cell_measurement_temperature    208(2)
_cell_measurement_theta_max      24.71
_cell_measurement_theta_min      1.46
_cell_volume                     8234(2)
_computing_cell_refinement       'SMART, Bruker (2000)'
_computing_data_collection       'SMART, Bruker (2000)'
_computing_data_reduction        'XPREP, Bruker (2000)'
_computing_molecular_graphics    'SHELXTL, Bruker (2000)'
_computing_publication_material  'SHELXTL, Bruker (2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      208(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0719
_diffrn_reflns_av_sigmaI/netI    0.0732
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            29061
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         1.46
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    0.274
_exptl_absorpt_correction_T_max  0.9731
_exptl_absorpt_correction_T_min  0.9473
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2000)'
_exptl_crystal_colour            dk_brown
_exptl_crystal_density_diffrn    1.086
_exptl_crystal_description       block
_exptl_crystal_F_000             2903
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.328
_refine_diff_density_min         -0.305
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         7019
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0999
_refine_ls_R_factor_gt           0.0634
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'calc w=1/[σ²(Fo²)+(0.0997P)²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1568
_refine_ls_wR_factor_ref         0.1714
_reflns_number_gt                4645
_reflns_number_total             7019
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0483582Bsi20041121_045711_2.cif
_cod_data_source_block           sg2313sqz_complex2
_cod_original_cell_volume        8235(2)
_cod_database_code               4327314
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
V1 V 0.09033(2) 0.34036(4) 0.814928(18) 0.03005(18) Uani 1 1 d . . .
N1 N 0.07578(11) 0.4760(2) 0.84983(9) 0.0361(6) Uani 1 1 d . . .
N2 N 0.11530(11) 0.4731(2) 0.78466(9) 0.0348(6) Uani 1 1 d . . .
N3 N 0.15925(10) 0.2779(2) 0.80214(9) 0.0343(6) Uani 1 1 d . . .
N4 N 0.02404(10) 0.3071(2) 0.76686(8) 0.0301(6) Uani 1 1 d . . .
C1 C 0.03797(18) 0.6668(3) 0.82916(15) 0.0682(12) Uani 1 1 d . . .
H1A H 0.0218 0.6664 0.8525 0.082 Uiso 1 1 calc R . .
H1B H 0.0339 0.7311 0.8097 0.082 Uiso 1 1 calc R . .
C2 C 0.06627(14) 0.5774(3) 0.82367(13) 0.0444(9) Uani 1 1 d . . .
C3 C 0.09559(14) 0.5762(3) 0.78923(12) 0.0392(8) Uani 1 1 d . . .
C4 C 0.10971(17) 0.6688(3) 0.76740(15) 0.0581(11) Uani 1 1 d . . .
H4A H 0.0940 0.7408 0.7681 0.070 Uiso 1 1 calc R . .
C5 C 0.14743(18) 0.6524(3) 0.74470(15) 0.0605(11) Uani 1 1 d . . .
H5A H 0.1571 0.7139 0.7294 0.073 Uiso 1 1 calc R . .
C6 C 0.17097(15) 0.5478(3) 0.74412(13) 0.0474(9) Uani 1 1 d . . .
H6A H 0.1983 0.5382 0.7301 0.057 Uiso 1 1 calc R . .
C7 C 0.15411(13) 0.4569(3) 0.76431(11) 0.0362(8) Uani 1 1 d . . .
C8 C 0.17691(13) 0.3394(3) 0.77108(12) 0.0393(8) Uani 1 1 d . . .
C9 C 0.21258(15) 0.3055(3) 0.74975(14) 0.0549(10) Uani 1 1 d . . .
H9A H 0.2285 0.2322 0.7554 0.066 Uiso 1 1 calc R . .
H9B H 0.2215 0.3551 0.7292 0.066 Uiso 1 1 calc R . .
C10 C 0.02437(14) 0.4475(3) 0.90409(12) 0.0444(9) Uani 1 1 d . . .
C11 C 0.02801(16) 0.4396(3) 0.95105(13) 0.0543(10) Uani 1 1 d . . .
H11A H -0.0040 0.4123 0.9567 0.065 Uiso 1 1 calc R . .
C12 C 0.07707(18) 0.4705(4) 0.98948(14) 0.0594(11) Uani 1 1 d . . .
H12A H 0.0789 0.4617 1.0210 0.071 Uiso 1 1 calc R . .
C13 C 0.12328(17) 0.5141(3) 0.98177(13) 0.0549(10) Uani 1 1 d . . .
H13A H 0.1558 0.5396 1.0080 0.066 Uiso 1 1 calc R . .
C14 C 0.12288(15) 0.5213(3) 0.93543(13) 0.0466(9) Uani 1 1 d . . .
C15 C 0.07334(14) 0.4821(3) 0.89615(12) 0.0401(8) Uani 1 1 d . . .
C16 C -0.03252(15) 0.4205(4) 0.86319(13) 0.0569(11) Uani 1 1 d . . .
H16A H -0.0307 0.4516 0.8333 0.068 Uiso 1 1 calc R . .
C17 C -0.08362(17) 0.4772(4) 0.87027(16) 0.0797(14) Uani 1 1 d . . .
H17A H -0.0766 0.5580 0.8749 0.119 Uiso 1 1 calc R . .
H17B H -0.0880 0.4450 0.8983 0.119 Uiso 1 1 calc R . .
H17C H -0.1187 0.4643 0.8421 0.119 Uiso 1 1 calc R . .
C18 C -0.04342(19) 0.2950(4) 0.85602(17) 0.0846(15) Uani 1 1 d . . .
H18A H -0.0115 0.2593 0.8508 0.127 Uiso 1 1 calc R . .
H18B H -0.0790 0.2821 0.8283 0.127 Uiso 1 1 calc R . .
H18C H -0.0468 0.2626 0.8843 0.127 Uiso 1 1 calc R . .
C19 C 0.17499(16) 0.5710(4) 0.92875(15) 0.0622(11) Uani 1 1 d . . .
H19A H 0.1721 0.5519 0.8960 0.075 Uiso 1 1 calc R . .
C20 C 0.1762(2) 0.7001(4) 0.9335(2) 0.0982(17) Uani 1 1 d . . .
H20A H 0.1407 0.7316 0.9103 0.147 Uiso 1 1 calc R . .
H20B H 0.2089 0.7300 0.9277 0.147 Uiso 1 1 calc R . .
H20C H 0.1799 0.7206 0.9657 0.147 Uiso 1 1 calc R . .
C21 C 0.23178(17) 0.5223(4) 0.96476(19) 0.0887(15) Uani 1 1 d . . .
H21A H 0.2315 0.4404 0.9615 0.133 Uiso 1 1 calc R . .
H21B H 0.2359 0.5419 0.9971 0.133 Uiso 1 1 calc R . .
H21C H 0.2639 0.5537 0.9584 0.133 Uiso 1 1 calc R . .
C22 C 0.16599(14) 0.0720(3) 0.78848(12) 0.0422(8) Uani 1 1 d . . .
C23 C 0.19297(16) -0.0313(3) 0.80553(14) 0.0535(10) Uani 1 1 d . . .
H23A H 0.1786 -0.0973 0.7874 0.064 Uiso 1 1 calc R . .
C24 C 0.23968(19) -0.0394(4) 0.84780(17) 0.0703(12) Uani 1 1 d . . .
H24A H 0.2574 -0.1101 0.8584 0.084 Uiso 1 1 calc R . .
C25 C 0.26049(17) 0.0551(4) 0.87453(16) 0.0664(12) Uani 1 1 d . . .
H25A H 0.2925 0.0485 0.9038 0.080 Uiso 1 1 calc R . .
C26 C 0.23600(15) 0.1617(3) 0.85991(14) 0.0516(9) Uani 1 1 d . . .
C27 C 0.18673(13) 0.1692(3) 0.81629(12) 0.0393(8) Uani 1 1 d . . .
C28 C 0.11622(17) 0.0747(3) 0.73987(13) 0.0564(10) Uani 1 1 d . . .
H28A H 0.1003 0.1527 0.7345 0.068 Uiso 1 1 calc R . .
C29 C 0.1365(2) 0.0470(5) 0.69959(17) 0.1046(18) Uani 1 1 d . . .
H29A H 0.1038 0.0493 0.6690 0.157 Uiso 1 1 calc R . .
H29B H 0.1535 -0.0282 0.7046 0.157 Uiso 1 1 calc R . .
H29C H 0.1651 0.1023 0.6995 0.157 Uiso 1 1 calc R . .
C30 C 0.06762(19) -0.0054(5) 0.73543(17) 0.0893(15) Uani 1 1 d . . .
H30A H 0.0535 0.0110 0.7605 0.134 Uiso 1 1 calc R . .
H30B H 0.0816 -0.0829 0.7387 0.134 Uiso 1 1 calc R . .
H30C H 0.0365 0.0042 0.7042 0.134 Uiso 1 1 calc R . .
C31 C 0.26391(19) 0.2657(4) 0.88970(15) 0.0728(13) Uani 1 1 d . . .
H31A H 0.2333 0.3235 0.8839 0.087 Uiso 1 1 calc R . .
C32 C 0.3084(3) 0.3147(5) 0.8731(2) 0.129(2) Uani 1 1 d . . .
H32A H 0.2909 0.3282 0.8387 0.194 Uiso 1 1 calc R . .
H32B H 0.3402 0.2617 0.8801 0.194 Uiso 1 1 calc R . .
H32C H 0.3227 0.3857 0.8896 0.194 Uiso 1 1 calc R . .
C33 C 0.2908(2) 0.2437(5) 0.94313(16) 0.1026(19) Uani 1 1 d . . .
H33A H 0.2619 0.2127 0.9537 0.154 Uiso 1 1 calc R . .
H33B H 0.3055 0.3143 0.9599 0.154 Uiso 1 1 calc R . .
H33C H 0.3223 0.1901 0.9501 0.154 Uiso 1 1 calc R . .
O1 O 0.09605(9) 0.21648(19) 0.86784(7) 0.0433(6) Uani 1 1 d . B .
C34 C 0.1270(2) 0.2206(4) 0.91920(13) 0.0679(12) Uani 1 1 d . . .
H34A H 0.1069 0.2691 0.9342 0.082 Uiso 0.53 1 calc PR A 2
H34B H 0.1663 0.2493 0.9276 0.082 Uiso 0.53 1 calc PR A 2
H34C H 0.1676 0.2390 0.9267 0.082 Uiso 0.47 1 calc PR A 3
H34D H 0.1106 0.2801 0.9328 0.082 Uiso 0.47 1 calc PR A 3
C35 C 0.1277(8) 0.0986(16) 0.9349(7) 0.094(7) Uani 0.53 1 d P B 2
H35A H 0.1260 0.0945 0.9667 0.112 Uiso 0.53 1 calc PR B 2
H35B H 0.1629 0.0602 0.9361 0.112 Uiso 0.53 1 calc PR B 2
C36 C 0.0751(5) 0.0457(8) 0.8976(4) 0.075(3) Uani 0.53 1 d P B 2
H36A H 0.0789 -0.0369 0.8963 0.090 Uiso 0.53 1 calc PR B 2
H36B H 0.0399 0.0642 0.9028 0.090 Uiso 0.53 1 calc PR B 2
C35' C 0.1232(15) 0.116(2) 0.9396(10) 0.198(17) Uani 0.47 1 d P B 3
H35C H 0.0905 0.1142 0.9497 0.238 Uiso 0.47 1 calc PR B 3
H35D H 0.1589 0.0983 0.9670 0.238 Uiso 0.47 1 calc PR B 3
C36' C 0.1128(6) 0.0280(9) 0.8928(5) 0.085(3) Uani 0.47 1 d P B 3
H36C H 0.1491 0.0094 0.8894 0.102 Uiso 0.47 1 calc PR B 3
H36D H 0.0929 -0.0419 0.8951 0.102 Uiso 0.47 1 calc PR B 3
C37 C 0.07639(19) 0.1012(3) 0.85472(14) 0.0640(11) Uani 1 1 d . . .
H37A H 0.1028 0.0610 0.8432 0.077 Uiso 0.53 1 calc PR B 2
H37B H 0.0377 0.1011 0.8290 0.077 Uiso 0.53 1 calc PR B 2
H37C H 0.0360 0.0936 0.8509 0.077 Uiso 0.47 1 calc PR B 3
H37D H 0.0793 0.0808 0.8243 0.077 Uiso 0.47 1 calc PR B 3
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'
V V 0.3005 0.5294 '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
N4 V1 N1 107.39(11) .
N4 V1 N2 99.04(10) .
N1 V1 N2 76.97(10) .
N4 V1 N3 111.01(10) .
N1 V1 N3 135.83(11) .
N2 V1 N3 76.25(10) .
N4 V1 O1 103.38(10) .
N1 V1 O1 97.18(10) .
N2 V1 O1 157.55(10) .
N3 V1 O1 94.45(10) .
C2 N1 C15 116.6(3) .
C2 N1 V1 114.0(2) .
C15 N1 V1 129.5(2) .
C3 N2 C7 122.3(3) .
C3 N2 V1 117.6(2) .
C7 N2 V1 119.9(2) .
C8 N3 C27 115.1(2) .
C8 N3 V1 116.9(2) .
C27 N3 V1 127.34(19) .
N4 N4 V1 167.18(8) 2_556
C1 C2 N1 126.5(3) .
C1 C2 C3 122.1(3) .
N1 C2 C3 111.3(3) .
N2 C3 C4 119.5(3) .
N2 C3 C2 112.5(3) .
C4 C3 C2 127.6(3) .
C5 C4 C3 118.3(3) .
C6 C5 C4 121.0(3) .
C5 C6 C7 119.1(3) .
N2 C7 C6 119.3(3) .
N2 C7 C8 112.2(3) .
C6 C7 C8 128.3(3) .
C9 C8 N3 127.7(3) .
C9 C8 C7 120.2(3) .
N3 C8 C7 112.0(3) .
C11 C10 C15 118.6(3) .
C11 C10 C16 119.1(3) .
C15 C10 C16 122.3(3) .
C12 C11 C10 121.8(3) .
C13 C12 C11 119.8(4) .
C12 C13 C14 121.0(3) .
C13 C14 C15 118.7(3) .
C13 C14 C19 118.9(3) .
C15 C14 C19 122.4(3) .
C10 C15 C14 119.6(3) .
C10 C15 N1 121.8(3) .
C14 C15 N1 118.6(3) .
C18 C16 C10 112.6(3) .
C18 C16 C17 109.5(3) .
C10 C16 C17 111.7(3) .
C14 C19 C20 111.1(3) .
C14 C19 C21 112.0(4) .
C20 C19 C21 109.1(4) .
C23 C22 C27 118.7(3) .
C23 C22 C28 118.5(3) .
C27 C22 C28 122.7(3) .
C24 C23 C22 121.8(4) .
C25 C24 C23 119.6(4) .
C24 C25 C26 122.1(4) .
C25 C26 C27 118.0(4) .
C25 C26 C31 119.6(4) .
C27 C26 C31 122.3(3) .
C22 C27 C26 119.7(3) .
C22 C27 N3 121.9(3) .
C26 C27 N3 118.4(3) .
C30 C28 C22 114.1(3) .
C30 C28 C29 107.6(4) .
C22 C28 C29 111.3(3) .
C32 C31 C33 109.9(4) .
C32 C31 C26 110.1(4) .
C33 C31 C26 113.9(4) .
C34 O1 C37 108.1(3) .
C34 O1 V1 129.5(2) .
C37 O1 V1 121.5(2) .
C35' C34 O1 110.2(13) .
C35' C34 C35 11(2) .
O1 C34 C35 104.0(9) .
C34 C35 C36 105.1(9) .
C37 C36 C35 99.4(10) .
C34 C35' C36' 100.9(15) .
C37 C36' C35' 98.2(12) .
C36' C37 O1 107.4(6) .
C36' C37 C36 41.6(5) .
O1 C37 C36 107.5(5) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
V1 N4 1.777(2) .
V1 N1 2.024(3) .
V1 N2 2.029(3) .
V1 N3 2.049(2) .
V1 O1 2.128(2) .
N1 C2 1.401(4) .
N1 C15 1.425(4) .
N2 C3 1.340(4) .
N2 C7 1.351(4) .
N3 C8 1.387(4) .
N3 C27 1.440(4) .
N4 N4 1.242(5) 2_556
C1 C2 1.317(5) .
C2 C3 1.488(5) .
C3 C4 1.390(5) .
C4 C5 1.380(5) .
C5 C6 1.370(5) .
C6 C7 1.378(4) .
C7 C8 1.482(4) .
C8 C9 1.350(4) .
C10 C11 1.388(5) .
C10 C15 1.400(5) .
C10 C16 1.516(5) .
C11 C12 1.374(5) .
C12 C13 1.368(5) .
C13 C14 1.397(5) .
C14 C15 1.423(5) .
C14 C19 1.516(5) .
C16 C18 1.506(6) .
C16 C17 1.532(5) .
C19 C20 1.528(6) .
C19 C21 1.531(6) .
C22 C23 1.392(5) .
C22 C27 1.397(5) .
C22 C28 1.515(5) .
C23 C24 1.362(5) .
C24 C25 1.357(6) .
C25 C26 1.393(5) .
C26 C27 1.418(5) .
C26 C31 1.522(5) .
C28 C30 1.507(6) .
C28 C29 1.524(6) .
C31 C32 1.504(7) .
C31 C33 1.511(6) .
O1 C34 1.441(4) .
O1 C37 1.448(4) .
C34 C35' 1.39(2) .
C34 C35 1.511(19) .
C35 C36 1.50(2) .
C36 C37 1.462(10) .
C35' C36' 1.69(3) .
C36' C37 1.445(11) .
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_4
N4 V1 N1 C2 -70.2(2) .
N2 V1 N1 C2 25.3(2) .
N3 V1 N1 C2 79.3(3) .
O1 V1 N1 C2 -176.7(2) .
N4 V1 N1 C15 109.0(3) .
N2 V1 N1 C15 -155.4(3) .
N3 V1 N1 C15 -101.5(3) .
O1 V1 N1 C15 2.6(3) .
N4 V1 N2 C3 86.4(2) .
N1 V1 N2 C3 -19.5(2) .
N3 V1 N2 C3 -164.0(2) .
O1 V1 N2 C3 -96.5(3) .
N4 V1 N2 C7 -98.8(2) .
N1 V1 N2 C7 155.3(3) .
N3 V1 N2 C7 10.8(2) .
O1 V1 N2 C7 78.3(4) .
N4 V1 N3 C8 79.2(2) .
N1 V1 N3 C8 -69.6(3) .
N2 V1 N3 C8 -15.3(2) .
O1 V1 N3 C8 -174.6(2) .
N4 V1 N3 C27 -91.4(3) .
N1 V1 N3 C27 119.9(3) .
N2 V1 N3 C27 174.1(3) .
O1 V1 N3 C27 14.8(3) .
N1 V1 N4 N4 32.6(13) 2_556
N2 V1 N4 N4 -46.5(13) 2_556
N3 V1 N4 N4 -125.2(12) 2_556
O1 V1 N4 N4 134.6(12) 2_556
C15 N1 C2 C1 -23.4(5) .
V1 N1 C2 C1 156.0(3) .
C15 N1 C2 C3 153.2(3) .
V1 N1 C2 C3 -27.4(3) .
C7 N2 C3 C4 8.0(5) .
V1 N2 C3 C4 -177.4(3) .
C7 N2 C3 C2 -164.6(3) .
V1 N2 C3 C2 10.0(4) .
C1 C2 C3 N2 -171.9(3) .
N1 C2 C3 N2 11.3(4) .
C1 C2 C3 C4 16.2(6) .
N1 C2 C3 C4 -160.6(3) .
N2 C3 C4 C5 -4.9(6) .
C2 C3 C4 C5 166.4(4) .
C3 C4 C5 C6 -0.8(6) .
C4 C5 C6 C7 3.6(6) .
C3 N2 C7 C6 -5.1(5) .
V1 N2 C7 C6 -179.6(2) .
C3 N2 C7 C8 169.9(3) .
V1 N2 C7 C8 -4.7(4) .
C5 C6 C7 N2 -0.7(5) .
C5 C6 C7 C8 -174.8(4) .
C27 N3 C8 C9 6.1(5) .
V1 N3 C8 C9 -165.6(3) .
C27 N3 C8 C7 -170.8(3) .
V1 N3 C8 C7 17.4(3) .
N2 C7 C8 C9 174.6(3) .
C6 C7 C8 C9 -11.0(6) .
N2 C7 C8 N3 -8.2(4) .
C6 C7 C8 N3 166.2(3) .
C15 C10 C11 C12 3.6(6) .
C16 C10 C11 C12 -175.4(3) .
C10 C11 C12 C13 2.3(6) .
C11 C12 C13 C14 -4.0(6) .
C12 C13 C14 C15 -0.1(5) .
C12 C13 C14 C19 179.6(4) .
C11 C10 C15 C14 -7.6(5) .
C16 C10 C15 C14 171.3(3) .
C11 C10 C15 N1 170.4(3) .
C16 C10 C15 N1 -10.7(5) .
C13 C14 C15 C10 5.9(5) .
C19 C14 C15 C10 -173.7(3) .
C13 C14 C15 N1 -172.1(3) .
C19 C14 C15 N1 8.2(5) .
C2 N1 C15 C10 100.6(4) .
V1 N1 C15 C10 -78.7(4) .
C2 N1 C15 C14 -81.4(4) .
V1 N1 C15 C14 99.4(3) .
C11 C10 C16 C18 -77.8(4) .
C15 C10 C16 C18 103.3(4) .
C11 C10 C16 C17 45.9(5) .
C15 C10 C16 C17 -133.1(4) .
C13 C14 C19 C20 -75.8(5) .
C15 C14 C19 C20 103.9(4) .
C13 C14 C19 C21 46.5(5) .
C15 C14 C19 C21 -133.9(4) .
C27 C22 C23 C24 -1.7(5) .
C28 C22 C23 C24 176.8(4) .
C22 C23 C24 C25 0.6(6) .
C23 C24 C25 C26 -0.8(7) .
C24 C25 C26 C27 1.9(6) .
C24 C25 C26 C31 -175.7(4) .
C23 C22 C27 C26 2.8(5) .
C28 C22 C27 C26 -175.6(3) .
C23 C22 C27 N3 -176.8(3) .
C28 C22 C27 N3 4.7(5) .
C25 C26 C27 C22 -2.9(5) .
C31 C26 C27 C22 174.6(4) .
C25 C26 C27 N3 176.8(3) .
C31 C26 C27 N3 -5.8(5) .
C8 N3 C27 C22 -85.6(4) .
V1 N3 C27 C22 85.1(4) .
C8 N3 C27 C26 94.8(4) .
V1 N3 C27 C26 -94.5(3) .
C23 C22 C28 C30 55.9(5) .
C27 C22 C28 C30 -125.6(4) .
C23 C22 C28 C29 -66.1(5) .
C27 C22 C28 C29 112.3(4) .
C25 C26 C31 C32 89.2(5) .
C27 C26 C31 C32 -88.2(5) .
C25 C26 C31 C33 -34.7(6) .
C27 C26 C31 C33 147.9(4) .
N4 V1 O1 C34 -155.4(3) .
N1 V1 O1 C34 -45.6(3) .
N2 V1 O1 C34 27.6(4) .
N3 V1 O1 C34 91.7(3) .
N4 V1 O1 C37 36.9(3) .
N1 V1 O1 C37 146.8(3) .
N2 V1 O1 C37 -140.1(3) .
N3 V1 O1 C37 -75.9(3) .
C37 O1 C34 C35' -5.5(16) .
V1 O1 C34 C35' -174.4(16) .
C37 O1 C34 C35 3.9(9) .
V1 O1 C34 C35 -165.1(9) .
C35' C34 C35 C36 99(11) .
O1 C34 C35 C36 -27.0(15) .
C34 C35 C36 C37 38.7(15) .
O1 C34 C35' C36' 26(2) .
C35 C34 C35' C36' -31(9) .
C34 C35' C36' C37 -37(2) .
C35' C36' C37 O1 34.9(13) .
C35' C36' C37 C36 -62.1(14) .
C34 O1 C37 C36' -22.1(7) .
V1 O1 C37 C36' 147.9(6) .
C34 O1 C37 C36 21.5(6) .
V1 O1 C37 C36 -168.5(5) .
C35 C36 C37 C36' 59.9(12) .
C35 C36 C37 O1 -36.9(11) .
