#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:08:46 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179828 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/24/7012457.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_7012457
loop_
_publ_author_name
'Moser, Daniel F.'
'Grocholl, Luke'
'Stahl, Lothar'
'Staples, Richard J.'
_publ_section_title
;
 Bis(tert-butylamido)- and bis(arylamido)cyclodiphosph(iii)azane
 complexes of Ti, V, Zr and Hf: ligand substituent effects and
 coordination number
;
_journal_issue                   7
_journal_name_full               'Dalton Transactions'
_journal_page_first              1402
_journal_paper_doi               10.1039/b211009a
_journal_year                    2003
_chemical_formula_sum            'C24 H36 Cl N4 O P2 V'
_chemical_formula_weight         544.90
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 102.520(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4689(1)
_cell_length_b                   12.8799(2)
_cell_length_c                   20.9860(1)
_cell_measurement_reflns_used    209
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      20.27
_cell_measurement_theta_min      2.55
_cell_volume                     2762.43(5)
_computing_cell_refinement       'SMART (Bruker, V4.050, 1995)'
_computing_data_collection       'ASTRO (Bruker, V4.050, 1995)'
_computing_data_reduction        'SAINT (Bruker, V5.A06, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998, ver 5.10)'
_computing_publication_material  'CIFTAB (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_detector_area_resol_mean 836.6
_diffrn_measured_fraction_theta_full 0.910
_diffrn_measured_fraction_theta_max 0.910
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'ω, 0.3 deg'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0390
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            17903
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_diffrn_reflns_theta_min         1.87
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.595
_exptl_absorpt_correction_T_max  0.9605
_exptl_absorpt_correction_T_min  0.9165
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.919
_refine_diff_density_min         -0.448
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         5822
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0355
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0481P)²+0.7521P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0877
_refine_ls_wR_factor_ref         0.0952
_reflns_number_gt                4482
_reflns_number_total             5822
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b211009a.txt
_cod_data_source_block           9
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7012457
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.30552(3) 0.21227(3) 0.043111(17) 0.02443(10) Uani 1 1 d . . .
P1 P 0.15490(5) 0.37912(4) 0.07755(3) 0.02882(14) Uani 1 1 d . . .
P2 P 0.08406(5) 0.18650(4) 0.10027(3) 0.02839(13) Uani 1 1 d . . .
Cl1 Cl 0.32867(6) 0.15994(5) -0.05815(3) 0.04140(15) Uani 1 1 d . . .
N1 N 0.10534(16) 0.26311(13) 0.03169(8) 0.0266(4) Uani 1 1 d . . .
N2 N 0.11458(17) 0.30506(13) 0.13920(9) 0.0306(4) Uani 1 1 d . . .
N3 N 0.31409(16) 0.35471(13) 0.07404(9) 0.0293(4) Uani 1 1 d . . .
N4 N 0.22838(16) 0.12517(13) 0.10044(9) 0.0274(4) Uani 1 1 d . . .
C1 C -0.0041(2) 0.26696(17) -0.02882(11) 0.0332(5) Uani 1 1 d . . .
C2 C 0.0393(2) 0.33761(19) -0.07849(12) 0.0419(6) Uani 1 1 d . . .
H2A H 0.1181 0.3098 -0.0893 0.063 Uiso 1 1 calc R . .
H2B H 0.0569 0.4066 -0.0601 0.063 Uiso 1 1 calc R . .
H2C H -0.0295 0.3414 -0.1177 0.063 Uiso 1 1 calc R . .
C3 C -0.1293(2) 0.3099(2) -0.01166(13) 0.0459(6) Uani 1 1 d . . .
H3A H -0.1564 0.2645 0.0198 0.069 Uiso 1 1 calc R . .
H3B H -0.1981 0.3135 -0.0509 0.069 Uiso 1 1 calc R . .
H3C H -0.1125 0.3788 0.0069 0.069 Uiso 1 1 calc R . .
C4 C -0.0260(2) 0.15640(19) -0.05538(13) 0.0469(6) Uani 1 1 d . . .
H4A H -0.0535 0.1125 -0.0232 0.070 Uiso 1 1 calc R . .
H4B H 0.0548 0.1297 -0.0645 0.070 Uiso 1 1 calc R . .
H4C H -0.0933 0.1568 -0.0952 0.070 Uiso 1 1 calc R . .
C5 C 0.1276(2) 0.33060(18) 0.20902(11) 0.0356(5) Uani 1 1 d . . .
C6 C 0.0349(3) 0.2608(2) 0.23745(13) 0.0522(7) Uani 1 1 d . . .
H6A H -0.0543 0.2714 0.2134 0.078 Uiso 1 1 calc R . .
H6B H 0.0412 0.2782 0.2830 0.078 Uiso 1 1 calc R . .
H6C H 0.0591 0.1887 0.2339 0.078 Uiso 1 1 calc R . .
C7 C 0.0868(3) 0.44451(19) 0.21453(13) 0.0489(6) Uani 1 1 d . . .
H7A H 0.1453 0.4895 0.1971 0.073 Uiso 1 1 calc R . .
H7B H 0.0915 0.4615 0.2600 0.073 Uiso 1 1 calc R . .
H7C H -0.0021 0.4543 0.1899 0.073 Uiso 1 1 calc R . .
C8 C 0.2691(3) 0.3137(2) 0.24657(12) 0.0513(7) Uani 1 1 d . . .
H8A H 0.3272 0.3580 0.2285 0.077 Uiso 1 1 calc R . .
H8B H 0.2933 0.2416 0.2427 0.077 Uiso 1 1 calc R . .
H8C H 0.2761 0.3307 0.2922 0.077 Uiso 1 1 calc R . .
C9 C 0.4167(2) 0.42769(16) 0.09352(10) 0.0298(5) Uani 1 1 d . . .
C10 C 0.5290(2) 0.41919(18) 0.06747(12) 0.0393(5) Uani 1 1 d . . .
H10A H 0.5350 0.3655 0.0379 0.047 Uiso 1 1 calc R . .
C11 C 0.6311(2) 0.4893(2) 0.08502(13) 0.0470(6) Uani 1 1 d . . .
H11A H 0.7063 0.4817 0.0678 0.056 Uiso 1 1 calc R . .
C12 C 0.6241(3) 0.5700(2) 0.12746(13) 0.0487(7) Uani 1 1 d . . .
H12A H 0.6933 0.6176 0.1389 0.058 Uiso 1 1 calc R . .
C13 C 0.5137(3) 0.57942(19) 0.15270(14) 0.0497(7) Uani 1 1 d . . .
H13A H 0.5077 0.6344 0.1814 0.060 Uiso 1 1 calc R . .
C14 C 0.4111(2) 0.50920(17) 0.13652(12) 0.0405(6) Uani 1 1 d . . .
H14A H 0.3371 0.5167 0.1548 0.049 Uiso 1 1 calc R . .
C15 C 0.26915(19) 0.03208(15) 0.13463(10) 0.0264(4) Uani 1 1 d . . .
C16 C 0.3469(2) -0.03735(16) 0.10831(11) 0.0316(5) Uani 1 1 d . . .
H16A H 0.3714 -0.0207 0.0690 0.038 Uiso 1 1 calc R . .
C17 C 0.3882(2) -0.12999(17) 0.13933(12) 0.0369(5) Uani 1 1 d . . .
H17A H 0.4411 -0.1753 0.1212 0.044 Uiso 1 1 calc R . .
C18 C 0.3522(2) -0.15636(18) 0.19693(12) 0.0420(6) Uani 1 1 d . . .
H18A H 0.3794 -0.2197 0.2177 0.050 Uiso 1 1 calc R . .
C19 C 0.2761(3) -0.08907(19) 0.22349(12) 0.0444(6) Uani 1 1 d . . .
H19A H 0.2519 -0.1066 0.2627 0.053 Uiso 1 1 calc R . .
C20 C 0.2345(2) 0.00479(17) 0.19299(11) 0.0367(5) Uani 1 1 d . . .
H20A H 0.1827 0.0501 0.2118 0.044 Uiso 1 1 calc R . .
O1 O 0.49972(14) 0.17234(11) 0.08636(7) 0.0315(3) Uani 1 1 d . . .
C21 C 0.5462(2) 0.18598(19) 0.15668(11) 0.0376(5) Uani 1 1 d . . .
H21A H 0.4803 0.1622 0.1802 0.045 Uiso 1 1 calc R . .
H21B H 0.5662 0.2591 0.1674 0.045 Uiso 1 1 calc R . .
C22 C 0.6664(3) 0.1213(3) 0.17368(16) 0.0743(10) Uani 1 1 d . . .
H22A H 0.7290 0.1514 0.2106 0.089 Uiso 1 1 calc R . .
H22B H 0.6452 0.0506 0.1851 0.089 Uiso 1 1 calc R . .
C23 C 0.7207(3) 0.1212(3) 0.11448(15) 0.0704(10) Uani 1 1 d . . .
H23A H 0.7703 0.0574 0.1119 0.084 Uiso 1 1 calc R . .
H23B H 0.7786 0.1809 0.1144 0.084 Uiso 1 1 calc R . .
C24 C 0.6039(2) 0.1277(2) 0.05851(12) 0.0426(6) Uani 1 1 d . . .
H24A H 0.6226 0.1722 0.0238 0.051 Uiso 1 1 calc R . .
H24B H 0.5791 0.0586 0.0405 0.051 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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'
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
N3 V1 N4 109.49(7) . . ?
N3 V1 O1 96.69(7) . . ?
N4 V1 O1 94.83(6) . . ?
N3 V1 N1 73.97(7) . . ?
N4 V1 N1 73.76(7) . . ?
O1 V1 N1 161.19(6) . . ?
N3 V1 Cl1 125.54(6) . . ?
N4 V1 Cl1 123.08(6) . . ?
O1 V1 Cl1 92.38(4) . . ?
N1 V1 Cl1 106.35(5) . . ?
N3 V1 P1 35.97(5) . . ?
N4 V1 P1 87.21(5) . . ?
O1 V1 P1 127.69(4) . . ?
N1 V1 P1 38.94(5) . . ?
Cl1 V1 P1 129.24(2) . . ?
N3 V1 P2 87.26(5) . . ?
N4 V1 P2 35.68(5) . . ?
O1 V1 P2 126.03(4) . . ?
N1 V1 P2 39.08(5) . . ?
Cl1 V1 P2 127.95(2) . . ?
P1 V1 P2 55.665(17) . . ?
N3 P1 N2 109.15(9) . . ?
N3 P1 N1 89.71(8) . . ?
N2 P1 N1 81.55(8) . . ?
N3 P1 P2 98.51(6) . . ?
N2 P1 P2 39.67(6) . . ?
N1 P1 P2 42.24(6) . . ?
N3 P1 V1 41.74(6) . . ?
N2 P1 V1 90.69(6) . . ?
N1 P1 V1 49.21(5) . . ?
P2 P1 V1 62.196(18) . . ?
N4 P2 N2 109.61(9) . . ?
N4 P2 N1 89.57(8) . . ?
N2 P2 N1 81.45(8) . . ?
N4 P2 P1 98.69(6) . . ?
N2 P2 P1 39.76(6) . . ?
N1 P2 P1 42.06(6) . . ?
N4 P2 V1 41.71(6) . . ?
N2 P2 V1 90.70(6) . . ?
N1 P2 V1 49.18(5) . . ?
P1 P2 V1 62.139(18) . . ?
C1 N1 P1 120.07(13) . . ?
C1 N1 P2 119.10(13) . . ?
P1 N1 P2 95.69(9) . . ?
C1 N1 V1 129.96(13) . . ?
P1 N1 V1 91.85(7) . . ?
P2 N1 V1 91.74(7) . . ?
C5 N2 P2 129.25(15) . . ?
C5 N2 P1 129.25(15) . . ?
P2 N2 P1 100.57(9) . . ?
C9 N3 P1 123.28(14) . . ?
C9 N3 V1 134.37(14) . . ?
P1 N3 V1 102.29(8) . . ?
C15 N4 P2 124.32(14) . . ?
C15 N4 V1 133.05(13) . . ?
P2 N4 V1 102.61(8) . . ?
N1 C1 C2 108.01(17) . . ?
N1 C1 C4 107.56(17) . . ?
C2 C1 C4 110.5(2) . . ?
N1 C1 C3 110.12(18) . . ?
C2 C1 C3 109.95(19) . . ?
C4 C1 C3 110.64(19) . . ?
N2 C5 C8 110.38(19) . . ?
N2 C5 C6 108.94(19) . . ?
C8 C5 C6 109.8(2) . . ?
N2 C5 C7 108.60(19) . . ?
C8 C5 C7 110.5(2) . . ?
C6 C5 C7 108.6(2) . . ?
C14 C9 C10 117.9(2) . . ?
C14 C9 N3 123.3(2) . . ?
C10 C9 N3 118.79(19) . . ?
C11 C10 C9 120.5(2) . . ?
C12 C11 C10 121.0(2) . . ?
C13 C12 C11 118.8(2) . . ?
C12 C13 C14 121.2(2) . . ?
C13 C14 C9 120.6(2) . . ?
C20 C15 C16 117.97(19) . . ?
C20 C15 N4 123.45(19) . . ?
C16 C15 N4 118.57(18) . . ?
C17 C16 C15 120.9(2) . . ?
C16 C17 C18 120.4(2) . . ?
C19 C18 C17 119.4(2) . . ?
C18 C19 C20 120.8(2) . . ?
C19 C20 C15 120.5(2) . . ?
C21 O1 C24 109.72(16) . . ?
C21 O1 V1 119.05(12) . . ?
C24 O1 V1 131.21(13) . . ?
O1 C21 C22 104.7(2) . . ?
C23 C22 C21 105.0(3) . . ?
C22 C23 C24 105.2(2) . . ?
O1 C24 C23 105.1(2) . . ?
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
V1 N3 1.9416(17) . ?
V1 N4 1.9441(17) . ?
V1 O1 2.1028(14) . ?
V1 N1 2.1588(17) . ?
V1 Cl1 2.2918(7) . ?
V1 P1 2.8498(6) . ?
V1 P2 2.8513(6) . ?
P1 N3 1.7133(18) . ?
P1 N2 1.7316(18) . ?
P1 N1 1.7921(17) . ?
P1 P2 2.6618(8) . ?
P2 N4 1.7042(17) . ?
P2 N2 1.7287(18) . ?
P2 N1 1.7983(18) . ?
N1 C1 1.515(3) . ?
N2 C5 1.479(3) . ?
N3 C9 1.419(3) . ?
N4 C15 1.415(2) . ?
C1 C2 1.525(3) . ?
C1 C4 1.528(3) . ?
C1 C3 1.536(3) . ?
C5 C8 1.535(3) . ?
C5 C6 1.536(3) . ?
C5 C7 1.539(3) . ?
C9 C14 1.394(3) . ?
C9 C10 1.404(3) . ?
C10 C11 1.386(3) . ?
C11 C12 1.381(4) . ?
C12 C13 1.377(4) . ?
C13 C14 1.389(3) . ?
C15 C20 1.396(3) . ?
C15 C16 1.401(3) . ?
C16 C17 1.383(3) . ?
C17 C18 1.385(3) . ?
C18 C19 1.374(3) . ?
C19 C20 1.393(3) . ?
O1 C21 1.461(3) . ?
O1 C24 1.462(3) . ?
C21 C22 1.487(4) . ?
C22 C23 1.474(4) . ?
C23 C24 1.503(4) . ?
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
N4 V1 P1 N3 129.49(11) . . . . ?
O1 V1 P1 N3 35.54(11) . . . . ?
N1 V1 P1 N3 -163.17(12) . . . . ?
Cl1 V1 P1 N3 -98.78(10) . . . . ?
P2 V1 P1 N3 147.41(9) . . . . ?
N3 V1 P1 N2 -118.64(11) . . . . ?
N4 V1 P1 N2 10.85(8) . . . . ?
O1 V1 P1 N2 -83.09(8) . . . . ?
N1 V1 P1 N2 78.20(9) . . . . ?
Cl1 V1 P1 N2 142.58(7) . . . . ?
P2 V1 P1 N2 28.77(6) . . . . ?
N3 V1 P1 N1 163.17(12) . . . . ?
N4 V1 P1 N1 -67.34(9) . . . . ?
O1 V1 P1 N1 -161.29(9) . . . . ?
Cl1 V1 P1 N1 64.39(8) . . . . ?
P2 V1 P1 N1 -49.43(7) . . . . ?
N3 V1 P1 P2 -147.41(9) . . . . ?
N4 V1 P1 P2 -17.92(5) . . . . ?
O1 V1 P1 P2 -111.87(6) . . . . ?
N1 V1 P1 P2 49.43(7) . . . . ?
Cl1 V1 P1 P2 113.81(3) . . . . ?
N3 P1 P2 N4 -0.49(9) . . . . ?
N2 P1 P2 N4 -110.30(11) . . . . ?
N1 P1 P2 N4 79.58(10) . . . . ?
V1 P1 P2 N4 20.77(6) . . . . ?
N3 P1 P2 N2 109.82(11) . . . . ?
N1 P1 P2 N2 -170.11(12) . . . . ?
V1 P1 P2 N2 131.08(9) . . . . ?
N3 P1 P2 N1 -80.07(10) . . . . ?
N2 P1 P2 N1 170.11(12) . . . . ?
V1 P1 P2 N1 -58.81(8) . . . . ?
N3 P1 P2 V1 -21.26(6) . . . . ?
N2 P1 P2 V1 -131.08(9) . . . . ?
N1 P1 P2 V1 58.81(8) . . . . ?
N3 V1 P2 N4 -129.74(10) . . . . ?
O1 V1 P2 N4 -33.46(10) . . . . ?
N1 V1 P2 N4 162.56(12) . . . . ?
Cl1 V1 P2 N4 95.77(9) . . . . ?
P1 V1 P2 N4 -148.21(9) . . . . ?
N3 V1 P2 N2 -10.36(8) . . . . ?
N4 V1 P2 N2 119.38(11) . . . . ?
O1 V1 P2 N2 85.92(8) . . . . ?
N1 V1 P2 N2 -78.05(9) . . . . ?
Cl1 V1 P2 N2 -144.85(6) . . . . ?
P1 V1 P2 N2 -28.82(6) . . . . ?
N3 V1 P2 N1 67.70(9) . . . . ?
N4 V1 P2 N1 -162.56(12) . . . . ?
O1 V1 P2 N1 163.98(9) . . . . ?
Cl1 V1 P2 N1 -66.79(8) . . . . ?
P1 V1 P2 N1 49.23(7) . . . . ?
N3 V1 P2 P1 18.47(5) . . . . ?
N4 V1 P2 P1 148.21(9) . . . . ?
O1 V1 P2 P1 114.75(5) . . . . ?
N1 V1 P2 P1 -49.23(7) . . . . ?
Cl1 V1 P2 P1 -116.02(3) . . . . ?
N3 P1 N1 C1 -128.45(16) . . . . ?
N2 P1 N1 C1 122.13(16) . . . . ?
P2 P1 N1 C1 128.50(18) . . . . ?
V1 P1 N1 C1 -139.57(18) . . . . ?
N3 P1 N1 P2 103.05(9) . . . . ?
N2 P1 N1 P2 -6.36(8) . . . . ?
V1 P1 N1 P2 91.93(8) . . . . ?
N3 P1 N1 V1 11.12(8) . . . . ?
N2 P1 N1 V1 -98.30(8) . . . . ?
P2 P1 N1 V1 -91.93(8) . . . . ?
N4 P2 N1 C1 127.29(16) . . . . ?
N2 P2 N1 C1 -122.80(16) . . . . ?
P1 P2 N1 C1 -129.18(18) . . . . ?
V1 P2 N1 C1 138.79(17) . . . . ?
N4 P2 N1 P1 -103.53(8) . . . . ?
N2 P2 N1 P1 6.37(8) . . . . ?
V1 P2 N1 P1 -92.03(8) . . . . ?
N4 P2 N1 V1 -11.50(8) . . . . ?
N2 P2 N1 V1 98.40(8) . . . . ?
P1 P2 N1 V1 92.03(8) . . . . ?
N3 V1 N1 C1 122.73(18) . . . . ?
N4 V1 N1 C1 -120.83(18) . . . . ?
O1 V1 N1 C1 -175.14(17) . . . . ?
Cl1 V1 N1 C1 -0.37(17) . . . . ?
P1 V1 N1 C1 132.9(2) . . . . ?
P2 V1 N1 C1 -131.32(19) . . . . ?
N3 V1 N1 P1 -10.20(7) . . . . ?
N4 V1 N1 P1 106.25(8) . . . . ?
O1 V1 N1 P1 51.9(2) . . . . ?
Cl1 V1 N1 P1 -133.29(6) . . . . ?
P2 V1 N1 P1 95.76(9) . . . . ?
N3 V1 N1 P2 -105.95(8) . . . . ?
N4 V1 N1 P2 10.49(7) . . . . ?
O1 V1 N1 P2 -43.8(2) . . . . ?
Cl1 V1 N1 P2 130.95(5) . . . . ?
P1 V1 N1 P2 -95.76(9) . . . . ?
N4 P2 N2 C5 -89.81(19) . . . . ?
N1 P2 N2 C5 -176.27(19) . . . . ?
P1 P2 N2 C5 -169.6(2) . . . . ?
V1 P2 N2 C5 -127.79(18) . . . . ?
N4 P2 N2 P1 79.79(10) . . . . ?
N1 P2 N2 P1 -6.68(8) . . . . ?
V1 P2 N2 P1 41.80(7) . . . . ?
N3 P1 N2 C5 89.56(19) . . . . ?
N1 P1 N2 C5 176.29(19) . . . . ?
P2 P1 N2 C5 169.6(2) . . . . ?
V1 P1 N2 C5 127.77(18) . . . . ?
N3 P1 N2 P2 -80.03(10) . . . . ?
N1 P1 N2 P2 6.70(8) . . . . ?
V1 P1 N2 P2 -41.83(7) . . . . ?
N2 P1 N3 C9 -109.33(17) . . . . ?
N1 P1 N3 C9 169.72(17) . . . . ?
P2 P1 N3 C9 -148.81(16) . . . . ?
V1 P1 N3 C9 -177.6(2) . . . . ?
N2 P1 N3 V1 68.28(10) . . . . ?
N1 P1 N3 V1 -12.67(9) . . . . ?
P2 P1 N3 V1 28.80(8) . . . . ?
N4 V1 N3 C9 122.4(2) . . . . ?
O1 V1 N3 C9 24.8(2) . . . . ?
N1 V1 N3 C9 -171.9(2) . . . . ?
Cl1 V1 N3 C9 -73.0(2) . . . . ?
P1 V1 N3 C9 177.2(3) . . . . ?
P2 V1 N3 C9 150.8(2) . . . . ?
N4 V1 N3 P1 -54.85(10) . . . . ?
O1 V1 N3 P1 -152.41(8) . . . . ?
N1 V1 N3 P1 10.92(8) . . . . ?
Cl1 V1 N3 P1 109.82(8) . . . . ?
P2 V1 N3 P1 -26.44(7) . . . . ?
N2 P2 N4 C15 113.90(16) . . . . ?
N1 P2 N4 C15 -165.34(17) . . . . ?
P1 P2 N4 C15 153.44(15) . . . . ?
V1 P2 N4 C15 -178.4(2) . . . . ?
N2 P2 N4 V1 -67.66(10) . . . . ?
N1 P2 N4 V1 13.11(9) . . . . ?
P1 P2 N4 V1 -28.11(8) . . . . ?
N3 V1 N4 C15 -127.19(18) . . . . ?
O1 V1 N4 C15 -28.34(19) . . . . ?
N1 V1 N4 C15 166.9(2) . . . . ?
Cl1 V1 N4 C15 67.68(19) . . . . ?
P1 V1 N4 C15 -155.94(18) . . . . ?
P2 V1 N4 C15 178.2(2) . . . . ?
N3 V1 N4 P2 54.56(10) . . . . ?
O1 V1 N4 P2 153.42(8) . . . . ?
N1 V1 N4 P2 -11.35(8) . . . . ?
Cl1 V1 N4 P2 -110.56(7) . . . . ?
P1 V1 N4 P2 25.82(7) . . . . ?
P1 N1 C1 C2 62.5(2) . . . . ?
P2 N1 C1 C2 179.49(15) . . . . ?
V1 N1 C1 C2 -59.7(2) . . . . ?
P1 N1 C1 C4 -178.20(15) . . . . ?
P2 N1 C1 C4 -61.2(2) . . . . ?
V1 N1 C1 C4 59.6(2) . . . . ?
P1 N1 C1 C3 -57.6(2) . . . . ?
P2 N1 C1 C3 59.4(2) . . . . ?
V1 N1 C1 C3 -179.81(14) . . . . ?
P2 N2 C5 C8 86.5(2) . . . . ?
P1 N2 C5 C8 -80.3(2) . . . . ?
P2 N2 C5 C6 -34.1(3) . . . . ?
P1 N2 C5 C6 159.15(17) . . . . ?
P2 N2 C5 C7 -152.28(17) . . . . ?
P1 N2 C5 C7 41.0(3) . . . . ?
P1 N3 C9 C14 22.4(3) . . . . ?
V1 N3 C9 C14 -154.35(18) . . . . ?
P1 N3 C9 C10 -156.36(17) . . . . ?
V1 N3 C9 C10 26.9(3) . . . . ?
C14 C9 C10 C11 0.9(3) . . . . ?
N3 C9 C10 C11 179.7(2) . . . . ?
C9 C10 C11 C12 -1.2(4) . . . . ?
C10 C11 C12 C13 0.5(4) . . . . ?
C11 C12 C13 C14 0.4(4) . . . . ?
C12 C13 C14 C9 -0.7(4) . . . . ?
C10 C9 C14 C13 0.1(4) . . . . ?
N3 C9 C14 C13 -178.7(2) . . . . ?
P2 N4 C15 C20 -30.9(3) . . . . ?
V1 N4 C15 C20 151.14(18) . . . . ?
P2 N4 C15 C16 148.16(16) . . . . ?
V1 N4 C15 C16 -29.8(3) . . . . ?
C20 C15 C16 C17 -0.1(3) . . . . ?
N4 C15 C16 C17 -179.25(19) . . . . ?
C15 C16 C17 C18 0.7(3) . . . . ?
C16 C17 C18 C19 -0.8(4) . . . . ?
C17 C18 C19 C20 0.4(4) . . . . ?
C18 C19 C20 C15 0.2(4) . . . . ?
C16 C15 C20 C19 -0.3(3) . . . . ?
N4 C15 C20 C19 178.8(2) . . . . ?
N3 V1 O1 C21 55.72(16) . . . . ?
N4 V1 O1 C21 -54.59(16) . . . . ?
N1 V1 O1 C21 -3.1(3) . . . . ?
Cl1 V1 O1 C21 -178.08(15) . . . . ?
P1 V1 O1 C21 35.61(17) . . . . ?
P2 V1 O1 C21 -35.76(16) . . . . ?
N3 V1 O1 C24 -126.46(19) . . . . ?
N4 V1 O1 C24 123.23(19) . . . . ?
N1 V1 O1 C24 174.7(2) . . . . ?
Cl1 V1 O1 C24 -0.25(18) . . . . ?
P1 V1 O1 C24 -146.57(17) . . . . ?
P2 V1 O1 C24 142.06(17) . . . . ?
C24 O1 C21 C22 -15.8(3) . . . . ?
V1 O1 C21 C22 162.48(19) . . . . ?
O1 C21 C22 C23 29.5(3) . . . . ?
C21 C22 C23 C24 -32.1(4) . . . . ?
C21 O1 C24 C23 -3.9(3) . . . . ?
V1 O1 C24 C23 178.17(19) . . . . ?
C22 C23 C24 O1 22.2(3) . . . . ?
