#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:47:51 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179263 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/83/4318389.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_4318389
loop_
_publ_author_name
'Kunal K. Kamar'
'Amrita Saha'
'Alfonso Castiñeiras'
'Chen-Hsiung Hung'
'Sreebrata Goswami'
_publ_section_title
;
 Chromium Complexes of an Isomeric N-Donor Ligand,
 2-[(N-Arylamino)phenylazo]pyridine: Amination Reactions, X-ray Structure,
 and Redox Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4531
_journal_page_last               4538
_journal_paper_doi               10.1021/ic0201497
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C28 H23 Cl2 Cr N7'
_chemical_formula_weight         580.43
_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                 107.729(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.666(2)
_cell_length_b                   11.8843(3)
_cell_length_c                   17.5429(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      49.801
_cell_measurement_theta_min      30.537
_cell_volume                     5692.6(5)
_computing_cell_refinement       'CAD4-Express Software (Nonius, 1994)'
_computing_data_collection       'CAD4-Express Software (Nonius, 1994)'
_computing_data_reduction        'GENHKL (Kretschmar, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2000)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.460
_diffrn_measured_fraction_theta_max 0.460
_diffrn_measurement_device_type  'CAD4 Enraf Nonius'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_av_sigmaI/netI    0.0968
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            5716
_diffrn_reflns_theta_full        64.98
_diffrn_reflns_theta_max         64.98
_diffrn_reflns_theta_min         5.11
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.273
_exptl_absorpt_correction_T_max  0.956
_exptl_absorpt_correction_T_min  0.588
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.375
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.872
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         4700
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.872
_refine_ls_R_factor_all          0.1248
_refine_ls_R_factor_gt           0.0613
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1212P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1546
_refine_ls_wR_factor_ref         0.1858
_reflns_number_gt                2683
_reflns_number_total             4700
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0201497_2.cif
_cod_data_source_block           '[CrCl2(pap)(HL2a)],(3a)'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'Psi-scans' was replaced
with 'psi-scan' value.

'_symmetry_cell_setting' value 'Monoclinic'
changed to 'monoclinic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1212P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1212P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4318389
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cr1 Cr 0.14209(3) 0.52964(8) 0.14045(5) 0.0423(3) Uani 1 d . . .
Cl1 Cl 0.09977(5) 0.63585(15) 0.20944(8) 0.0581(4) Uani 1 d . . .
Cl2 Cl 0.11483(5) 0.36072(14) 0.17857(8) 0.0601(4) Uani 1 d . . .
N11 N 0.20581(16) 0.5250(4) 0.2305(2) 0.0484(11) Uani 1 d . . .
N12 N 0.22736(15) 0.6620(4) 0.1513(3) 0.0450(11) Uani 1 d . . .
N13 N 0.17962(14) 0.6554(4) 0.1148(2) 0.0424(11) Uani 1 d . . .
N31 N 0.08719(15) 0.5473(4) 0.0330(2) 0.0453(11) Uani 1 d . . .
N32 N 0.14471(16) 0.4556(4) -0.0168(2) 0.0509(12) Uani 1 d . . .
N33 N 0.16872(15) 0.4459(4) 0.0579(3) 0.0449(11) Uani 1 d . . .
N34 N 0.35933(16) 0.2846(5) 0.1257(3) 0.0615(14) Uani 1 d . . .
H34A H 0.3680 0.2414 0.1677 0.074 Uiso 1 calc R . .
C11 C 0.2184(2) 0.4609(5) 0.2964(3) 0.0551(15) Uani 1 d . . .
H11 H 0.1942 0.4173 0.3085 0.066 Uiso 1 calc R . .
C12 C 0.2653(2) 0.4571(6) 0.3467(3) 0.0579(16) Uani 1 d . . .
H12 H 0.2730 0.4109 0.3924 0.069 Uiso 1 calc R . .
C13 C 0.3016(2) 0.5217(6) 0.3304(3) 0.0604(17) Uani 1 d . . .
H13 H 0.3341 0.5179 0.3641 0.072 Uiso 1 calc R . .
C14 C 0.28955(19) 0.5909(5) 0.2647(3) 0.0515(14) Uani 1 d . . .
H14 H 0.3132 0.6370 0.2532 0.062 Uiso 1 calc R . .
C15 C 0.24104(19) 0.5905(5) 0.2156(3) 0.0460(13) Uani 1 d . . .
C16 C 0.16308(18) 0.7292(5) 0.0478(3) 0.0447(13) Uani 1 d . . .
C17 C 0.1879(2) 0.7313(6) -0.0091(3) 0.0591(17) Uani 1 d . . .
H17 H 0.2152 0.6847 -0.0037 0.071 Uiso 1 calc R . .
C18 C 0.1718(3) 0.8028(7) -0.0733(4) 0.079(2) Uani 1 d . . .
H18 H 0.1881 0.8042 -0.1124 0.095 Uiso 1 calc R . .
C19 C 0.1326(3) 0.8716(7) -0.0814(5) 0.086(2) Uani 1 d . . .
H19 H 0.1221 0.9198 -0.1258 0.103 Uiso 1 calc R . .
C20 C 0.1081(2) 0.8708(6) -0.0244(5) 0.072(2) Uani 1 d . . .
H20 H 0.0815 0.9196 -0.0294 0.087 Uiso 1 calc R . .
C21 C 0.12287(19) 0.7986(5) 0.0394(4) 0.0548(15) Uani 1 d . . .
H21 H 0.1058 0.7960 0.0773 0.066 Uiso 1 calc R . .
C31 C 0.04334(18) 0.5982(5) 0.0177(3) 0.0489(14) Uani 1 d . . .
H31 H 0.0340 0.6265 0.0610 0.059 Uiso 1 calc R . .
C32 C 0.0115(2) 0.6108(5) -0.0583(3) 0.0554(16) Uani 1 d . . .
H32 H -0.0184 0.6488 -0.0666 0.066 Uiso 1 calc R . .
C33 C 0.0239(2) 0.5674(6) -0.1212(4) 0.0673(19) Uani 1 d . . .
H33 H 0.0019 0.5728 -0.1733 0.081 Uiso 1 calc R . .
C34 C 0.0688(2) 0.5154(6) -0.1088(3) 0.0625(17) Uani 1 d . . .
H34 H 0.0782 0.4865 -0.1517 0.075 Uiso 1 calc R . .
C35 C 0.0993(2) 0.5073(5) -0.0308(3) 0.0519(15) Uani 1 d . . .
C36 C 0.21583(19) 0.4013(5) 0.0717(3) 0.0483(14) Uani 1 d . . .
C37 C 0.2427(2) 0.4237(6) 0.0191(3) 0.0548(16) Uani 1 d . . .
H37 H 0.2282 0.4644 -0.0281 0.066 Uiso 1 calc R . .
C38 C 0.2905(2) 0.3864(5) 0.0361(3) 0.0559(16) Uani 1 d . . .
H38 H 0.3089 0.4053 0.0018 0.067 Uiso 1 calc R . .
C39 C 0.3117(2) 0.3209(5) 0.1040(3) 0.0491(14) Uani 1 d . . .
C40 C 0.2835(2) 0.2959(5) 0.1544(3) 0.0540(15) Uani 1 d . . .
H40 H 0.2970 0.2496 0.1991 0.065 Uiso 1 calc R . .
C41 C 0.2372(2) 0.3367(5) 0.1407(3) 0.0458(13) Uani 1 d . . .
H41 H 0.2197 0.3217 0.1771 0.055 Uiso 1 calc R . .
C42 C 0.3963(2) 0.3064(6) 0.0904(4) 0.0572(15) Uani 1 d . . .
C43 C 0.3889(2) 0.3116(5) 0.0092(4) 0.0581(16) Uani 1 d . . .
H43 H 0.3574 0.2993 -0.0265 0.070 Uiso 1 calc R . .
C44 C 0.4275(2) 0.3347(6) -0.0198(4) 0.0677(19) Uani 1 d . . .
H44 H 0.4218 0.3401 -0.0754 0.081 Uiso 1 calc R . .
C45 C 0.4740(3) 0.3500(7) 0.0310(5) 0.084(2) Uani 1 d . . .
H45 H 0.4998 0.3674 0.0105 0.101 Uiso 1 calc R . .
C46 C 0.4827(3) 0.3396(8) 0.1133(5) 0.098(3) Uani 1 d . . .
H46 H 0.5146 0.3472 0.1487 0.117 Uiso 1 calc R . .
C47 C 0.4439(2) 0.3179(7) 0.1419(4) 0.081(2) Uani 1 d . . .
H47 H 0.4497 0.3107 0.1973 0.097 Uiso 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cr Cr -0.1635 2.4439 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0181 0.0091 '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'
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
N13 Cr1 N11 76.87(18) . . y
N13 Cr1 N31 91.80(17) . . y
N11 Cr1 N31 166.63(17) . . y
N13 Cr1 N33 82.10(18) . . y
N11 Cr1 N33 95.44(17) . . y
N31 Cr1 N33 75.72(17) . . y
N13 Cr1 Cl2 167.04(13) . . y
N11 Cr1 Cl2 93.14(15) . . y
N31 Cr1 Cl2 96.95(13) . . y
N33 Cr1 Cl2 90.78(13) . . y
N13 Cr1 Cl1 96.58(14) . . y
N11 Cr1 Cl1 95.66(13) . . y
N31 Cr1 Cl1 92.65(13) . . y
N33 Cr1 Cl1 168.21(13) . . y
Cl2 Cr1 Cl1 92.56(6) . . y
C11 N11 C15 118.0(5) . . ?
C11 N11 Cr1 129.2(4) . . ?
C15 N11 Cr1 112.5(4) . . ?
N13 N12 C15 110.8(4) . . ?
N12 N13 C16 113.4(4) . . ?
N12 N13 Cr1 119.3(3) . . ?
C16 N13 Cr1 125.9(3) . . ?
C35 N31 C31 116.8(5) . . ?
C35 N31 Cr1 113.8(3) . . ?
C31 N31 Cr1 129.3(4) . . ?
N33 N32 C35 113.6(4) . . ?
N32 N33 C36 113.4(4) . . ?
N32 N33 Cr1 118.0(3) . . ?
C36 N33 Cr1 126.8(3) . . ?
C39 N34 C42 129.8(5) . . ?
C39 N34 H34A 115.1 . . ?
C42 N34 H34A 115.1 . . ?
N11 C11 C12 122.0(6) . . ?
N11 C11 H11 119.0 . . ?
C12 C11 H11 119.0 . . ?
C11 C12 C13 120.0(6) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C14 C13 C12 119.4(5) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C13 C14 C15 117.7(6) . . ?
C13 C14 H14 121.1 . . ?
C15 C14 H14 121.1 . . ?
N11 C15 N12 118.0(5) . . ?
N11 C15 C14 122.8(5) . . ?
N12 C15 C14 119.2(5) . . ?
C17 C16 C21 120.1(5) . . ?
C17 C16 N13 119.2(5) . . ?
C21 C16 N13 120.7(5) . . ?
C16 C17 C18 118.8(6) . . ?
C16 C17 H17 120.6 . . ?
C18 C17 H17 120.6 . . ?
C19 C18 C17 121.2(7) . . ?
C19 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C18 C19 C20 120.3(7) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C21 C20 C19 119.7(6) . . ?
C21 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C16 C21 C20 120.0(6) . . ?
C16 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
N31 C31 C32 123.1(5) . . ?
N31 C31 H31 118.5 . . ?
C32 C31 H31 118.5 . . ?
C33 C32 C31 119.1(6) . . ?
C33 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
C32 C33 C34 120.0(5) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C33 C34 C35 117.7(6) . . ?
C33 C34 H34 121.2 . . ?
C35 C34 H34 121.2 . . ?
N31 C35 C34 123.3(5) . . ?
N31 C35 N32 118.0(5) . . ?
C34 C35 N32 118.7(5) . . ?
C37 C36 C41 119.4(5) . . ?
C37 C36 N33 120.7(5) . . ?
C41 C36 N33 119.9(5) . . ?
C38 C37 C36 120.4(5) . . ?
C38 C37 H37 119.8 . . ?
C36 C37 H37 119.8 . . ?
C37 C38 C39 120.5(5) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
N34 C39 C40 118.4(5) . . ?
N34 C39 C38 123.4(5) . . ?
C40 C39 C38 118.2(5) . . ?
C41 C40 C39 122.2(5) . . ?
C41 C40 H40 118.9 . . ?
C39 C40 H40 118.9 . . ?
C40 C41 C36 119.3(5) . . ?
C40 C41 H41 120.3 . . ?
C36 C41 H41 120.3 . . ?
C43 C42 C47 118.6(6) . . ?
C43 C42 N34 124.3(5) . . ?
C47 C42 N34 117.0(6) . . ?
C42 C43 C44 120.1(6) . . ?
C42 C43 H43 119.9 . . ?
C44 C43 H43 119.9 . . ?
C45 C44 C43 121.1(7) . . ?
C45 C44 H44 119.5 . . ?
C43 C44 H44 119.5 . . ?
C44 C45 C46 119.6(7) . . ?
C44 C45 H45 120.2 . . ?
C46 C45 H45 120.2 . . ?
C47 C46 C45 118.9(7) . . ?
C47 C46 H46 120.5 . . ?
C45 C46 H46 120.5 . . ?
C46 C47 C42 121.5(7) . . ?
C46 C47 H47 119.3 . . ?
C42 C47 H47 119.3 . . ?
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
Cr1 N13 1.972(4) . y
Cr1 N11 2.019(4) . y
Cr1 N31 2.065(4) . y
Cr1 N33 2.084(4) . y
Cr1 Cl2 2.3252(17) . y
Cr1 Cl1 2.3290(16) . y
N11 C11 1.340(7) . ?
N11 C15 1.361(7) . ?
N12 N13 1.325(5) . ?
N12 C15 1.372(7) . ?
N13 C16 1.426(7) . ?
N31 C35 1.355(7) . ?
N31 C31 1.346(6) . ?
N32 N33 1.287(6) . ?
N32 C35 1.393(7) . ?
N33 C36 1.401(7) . ?
N34 C39 1.371(7) . ?
N34 C42 1.406(7) . ?
N34 H34A 0.8700 . ?
C11 C12 1.366(8) . ?
C11 H11 0.9400 . ?
C12 C13 1.391(8) . ?
C12 H12 0.9400 . ?
C13 C14 1.372(8) . ?
C13 H13 0.9400 . ?
C14 C15 1.395(7) . ?
C14 H14 0.9400 . ?
C16 C17 1.392(7) . ?
C16 C21 1.388(8) . ?
C17 C18 1.374(8) . ?
C17 H17 0.9400 . ?
C18 C19 1.362(10) . ?
C18 H18 0.9400 . ?
C19 C20 1.386(10) . ?
C19 H19 0.9400 . ?
C20 C21 1.370(8) . ?
C20 H20 0.9400 . ?
C21 H21 0.9400 . ?
C31 C32 1.375(7) . ?
C31 H31 0.9400 . ?
C32 C33 1.360(8) . ?
C32 H32 0.9400 . ?
C33 C34 1.383(8) . ?
C33 H33 0.9400 . ?
C34 C35 1.384(7) . ?
C34 H34 0.9400 . ?
C36 C37 1.396(7) . ?
C36 C41 1.407(7) . ?
C37 C38 1.384(7) . ?
C37 H37 0.9400 . ?
C38 C39 1.397(8) . ?
C38 H38 0.9400 . ?
C39 C40 1.398(7) . ?
C40 C41 1.366(7) . ?
C40 H40 0.9400 . ?
C41 H41 0.9400 . ?
C42 C43 1.375(8) . ?
C42 C47 1.395(8) . ?
C43 C44 1.379(8) . ?
C43 H43 0.9400 . ?
C44 C45 1.372(9) . ?
C44 H44 0.9400 . ?
C45 C46 1.393(10) . ?
C45 H45 0.9400 . ?
C46 C47 1.376(10) . ?
C46 H46 0.9400 . ?
C47 H47 0.9400 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N34 H34A Cl1 0.87 2.42 3.286(5) 173.2 4_545
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
N13 Cr1 N11 C11 173.7(5) . . . . ?
N31 Cr1 N11 C11 -153.7(7) . . . . ?
N33 Cr1 N11 C11 -105.8(5) . . . . ?
Cl2 Cr1 N11 C11 -14.7(5) . . . . ?
Cl1 Cr1 N11 C11 78.2(5) . . . . ?
N13 Cr1 N11 C15 -12.7(4) . . . . ?
N31 Cr1 N11 C15 20.0(11) . . . . ?
N33 Cr1 N11 C15 67.9(4) . . . . ?
Cl2 Cr1 N11 C15 159.0(4) . . . . ?
Cl1 Cr1 N11 C15 -108.1(4) . . . . ?
C15 N12 N13 C16 179.2(4) . . . . ?
C15 N12 N13 Cr1 -13.5(6) . . . . ?
N11 Cr1 N13 N12 14.9(4) . . . . ?
N31 Cr1 N13 N12 -157.9(4) . . . . ?
N33 Cr1 N13 N12 -82.6(4) . . . . ?
Cl2 Cr1 N13 N12 -25.3(9) . . . . ?
Cl1 Cr1 N13 N12 109.2(4) . . . . ?
N11 Cr1 N13 C16 -179.5(5) . . . . ?
N31 Cr1 N13 C16 7.7(4) . . . . ?
N33 Cr1 N13 C16 83.0(4) . . . . ?
Cl2 Cr1 N13 C16 140.3(5) . . . . ?
Cl1 Cr1 N13 C16 -85.2(4) . . . . ?
N13 Cr1 N31 C35 75.4(4) . . . . ?
N11 Cr1 N31 C35 43.7(11) . . . . ?
N33 Cr1 N31 C35 -5.9(4) . . . . ?
Cl2 Cr1 N31 C35 -95.0(4) . . . . ?
Cl1 Cr1 N31 C35 172.1(4) . . . . ?
N13 Cr1 N31 C31 -100.1(5) . . . . ?
N11 Cr1 N31 C31 -131.8(8) . . . . ?
N33 Cr1 N31 C31 178.5(5) . . . . ?
Cl2 Cr1 N31 C31 89.5(5) . . . . ?
Cl1 Cr1 N31 C31 -3.4(5) . . . . ?
C35 N32 N33 C36 -175.6(5) . . . . ?
C35 N32 N33 Cr1 -9.9(6) . . . . ?
N13 Cr1 N33 N32 -85.0(4) . . . . ?
N11 Cr1 N33 N32 -160.9(4) . . . . ?
N31 Cr1 N33 N32 8.9(4) . . . . ?
Cl2 Cr1 N33 N32 105.9(4) . . . . ?
Cl1 Cr1 N33 N32 -0.6(10) . . . . ?
N13 Cr1 N33 C36 78.7(5) . . . . ?
N11 Cr1 N33 C36 2.8(5) . . . . ?
N31 Cr1 N33 C36 172.6(5) . . . . ?
Cl2 Cr1 N33 C36 -90.5(5) . . . . ?
Cl1 Cr1 N33 C36 163.1(5) . . . . ?
C15 N11 C11 C12 -2.2(8) . . . . ?
Cr1 N11 C11 C12 171.2(4) . . . . ?
N11 C11 C12 C13 0.5(9) . . . . ?
C11 C12 C13 C14 1.6(9) . . . . ?
C12 C13 C14 C15 -1.9(9) . . . . ?
C11 N11 C15 N12 -175.4(5) . . . . ?
Cr1 N11 C15 N12 10.1(6) . . . . ?
C11 N11 C15 C14 1.9(8) . . . . ?
Cr1 N11 C15 C14 -172.5(4) . . . . ?
N13 N12 C15 N11 1.5(7) . . . . ?
N13 N12 C15 C14 -175.9(5) . . . . ?
C13 C14 C15 N11 0.1(9) . . . . ?
C13 C14 C15 N12 177.4(5) . . . . ?
N12 N13 C16 C17 48.9(7) . . . . ?
Cr1 N13 C16 C17 -117.4(5) . . . . ?
N12 N13 C16 C21 -130.8(5) . . . . ?
Cr1 N13 C16 C21 62.8(7) . . . . ?
C21 C16 C17 C18 -0.1(9) . . . . ?
N13 C16 C17 C18 -179.9(6) . . . . ?
C16 C17 C18 C19 0.7(11) . . . . ?
C17 C18 C19 C20 0.1(13) . . . . ?
C18 C19 C20 C21 -1.5(12) . . . . ?
C17 C16 C21 C20 -1.2(9) . . . . ?
N13 C16 C21 C20 178.6(5) . . . . ?
C19 C20 C21 C16 2.0(10) . . . . ?
C35 N31 C31 C32 -0.2(8) . . . . ?
Cr1 N31 C31 C32 175.2(4) . . . . ?
N31 C31 C32 C33 1.9(9) . . . . ?
C31 C32 C33 C34 -2.5(10) . . . . ?
C32 C33 C34 C35 1.5(10) . . . . ?
C31 N31 C35 C34 -0.8(9) . . . . ?
Cr1 N31 C35 C34 -176.9(5) . . . . ?
C31 N31 C35 N32 179.2(5) . . . . ?
Cr1 N31 C35 N32 3.0(7) . . . . ?
C33 C34 C35 N31 0.2(10) . . . . ?
C33 C34 C35 N32 -179.8(6) . . . . ?
N33 N32 C35 N31 4.4(8) . . . . ?
N33 N32 C35 C34 -175.6(5) . . . . ?
N32 N33 C36 C37 33.0(8) . . . . ?
Cr1 N33 C36 C37 -131.3(5) . . . . ?
N32 N33 C36 C41 -149.5(5) . . . . ?
Cr1 N33 C36 C41 46.2(7) . . . . ?
C41 C36 C37 C38 -2.4(9) . . . . ?
N33 C36 C37 C38 175.2(6) . . . . ?
C36 C37 C38 C39 3.3(10) . . . . ?
C42 N34 C39 C40 -173.6(6) . . . . ?
C42 N34 C39 C38 3.1(11) . . . . ?
C37 C38 C39 N34 -177.7(6) . . . . ?
C37 C38 C39 C40 -1.0(9) . . . . ?
N34 C39 C40 C41 174.5(6) . . . . ?
C38 C39 C40 C41 -2.3(9) . . . . ?
C39 C40 C41 C36 3.3(9) . . . . ?
C37 C36 C41 C40 -0.9(9) . . . . ?
N33 C36 C41 C40 -178.5(5) . . . . ?
C39 N34 C42 C43 -39.3(11) . . . . ?
C39 N34 C42 C47 144.0(7) . . . . ?
C47 C42 C43 C44 -4.0(10) . . . . ?
N34 C42 C43 C44 179.4(6) . . . . ?
C42 C43 C44 C45 1.7(11) . . . . ?
C43 C44 C45 C46 1.4(12) . . . . ?
C44 C45 C46 C47 -2.2(13) . . . . ?
C45 C46 C47 C42 -0.1(14) . . . . ?
C43 C42 C47 C46 3.2(12) . . . . ?
N34 C42 C47 C46 -179.9(8) . . . . ?
