#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:10:02 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179616 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/80/4508062.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_4508062
loop_
_publ_author_name
'Singh, Ruchi'
'Bharadwaj, Parimal K.'
_publ_section_title
;
 Coordination Polymers Built with a Linear Bis-Imidazole and Different
 Dicarboxylates: Unusual Entanglement and Emission Properties
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3722
_journal_paper_doi               10.1021/cg400756z
_journal_volume                  13
_journal_year                    2013
_chemical_formula_moiety         'C32 H21 Br2 Co N8 O9'
_chemical_formula_sum            'C32 H21 Br2 Co N8 O9'
_chemical_formula_weight         880.32
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.733(2)
_cell_length_b                   22.980(5)
_cell_length_c                   16.283(4)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.25
_cell_measurement_theta_min      2.5
_cell_volume                     3267.7(13)
_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 0.996
_diffrn_measured_fraction_theta_max 0.996
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.0679
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16284
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.50
_exptl_absorpt_coefficient_mu    3.041
_exptl_absorpt_correction_T_max  0.615
_exptl_absorpt_correction_T_min  0.505
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.789
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.560
_refine_diff_density_min         -1.564
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         2963
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.1239
_refine_ls_R_factor_gt           0.0954
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1521P)²+20.3214P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2521
_refine_ls_wR_factor_ref         0.2782
_reflns_number_gt                2098
_reflns_number_total             2963
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg400756z_si_002.cif
_cod_data_source_block           Complex8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3267.8(13)
_cod_original_sg_symbol_H-M      Pnna
_cod_database_code               4508062
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z'
'-x+1/2, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z'
'x-1/2, -y-1/2, z-1/2'
'-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
Co Co 0.27113(13) 0.2500 0.2500 0.0269(3) Uani 1 2 d S . .
Br1 Br -0.3699(2) 0.41989(8) 0.47215(14) 0.0757(4) Uani 0.4679(15) 1 d P A 1
Br2 Br -0.0123(2) 0.55175(7) 0.26113(13) 0.0757(4) Uani 0.5321(15) 1 d P A 2
O1 O 0.2083(5) 0.3362(2) 0.2543(3) 0.0427(12) Uani 1 1 d . . .
O2 O 0.0780(5) 0.28061(19) 0.3387(3) 0.0403(11) Uani 1 1 d . . .
O1W O -0.2044(14) 0.2500 0.2500 0.149(7) Uani 1 2 d SD . .
H1W1 H -0.299(2) 0.2500 0.2500 0.223 Uiso 1 2 d SD . .
H1W2 H -0.182(4) 0.264(4) 0.296(2) 0.223 Uiso 1 1 d D . .
N1 N 0.4246(6) 0.2440(2) 0.3450(3) 0.0308(12) Uani 1 1 d . . .
N2 N 0.5964(6) 0.1998(2) 0.4229(3) 0.0377(13) Uani 1 1 d . . .
N3 N 0.9669(6) 0.0147(3) 0.5275(4) 0.0444(15) Uani 1 1 d . . .
C1 C 0.4418(8) 0.2754(3) 0.4174(4) 0.0421(17) Uani 1 1 d . . .
H1A H 0.3898 0.3105 0.4305 0.051 Uiso 1 1 calc R . .
C2 C 0.5434(8) 0.2482(3) 0.4661(5) 0.0471(18) Uani 1 1 d . . .
H2A H 0.5735 0.2598 0.5197 0.056 Uiso 1 1 calc R . .
C3 C 0.5187(7) 0.1998(3) 0.3508(4) 0.0344(15) Uani 1 1 d . . .
H3A H 0.5310 0.1712 0.3093 0.041 Uiso 1 1 calc R . .
C4 C 0.6990(7) 0.1557(3) 0.4499(4) 0.0383(16) Uani 1 1 d . . .
C5 C 0.7826(8) 0.1250(3) 0.3923(5) 0.0490(19) Uani 1 1 d . . .
H5A H 0.7794 0.1361 0.3362 0.059 Uiso 1 1 calc R . .
C6 C 0.8709(8) 0.0780(3) 0.4163(5) 0.053(2) Uani 1 1 d . . .
H6A H 0.9247 0.0559 0.3763 0.063 Uiso 1 1 calc R . .
C7 C 0.8810(7) 0.0633(3) 0.4980(5) 0.0430(17) Uani 1 1 d . . .
C8 C 0.8010(8) 0.0951(3) 0.5556(4) 0.0414(17) Uani 1 1 d . . .
H8A H 0.8087 0.0852 0.6121 0.050 Uiso 1 1 calc R . .
C9A C 0.7098(8) 0.1414(3) 0.5320(4) 0.0421(17) Uani 1 1 d . . .
H9AA H 0.6550 0.1632 0.5720 0.051 Uiso 1 1 calc R . .
C9 C 0.1027(7) 0.3286(3) 0.3076(4) 0.0331(14) Uani 1 1 d . . .
C10 C 0.0048(7) 0.3801(3) 0.3283(4) 0.0314(14) Uani 1 1 d . . .
C11 C -0.1175(7) 0.3753(3) 0.3831(4) 0.0358(15) Uani 1 1 d . A .
H11A H -0.1365 0.3395 0.4104 0.043 Uiso 1 1 calc R . .
C12 C -0.2114(6) 0.4231(3) 0.3973(3) 0.0361(15) Uani 1 1 d D . .
C13 C -0.1925(7) 0.4754(3) 0.3568(4) 0.0348(15) Uani 1 1 d . . .
C14 C -0.0630(8) 0.4794(2) 0.3077(4) 0.0423(17) Uani 1 1 d D . .
C15 C 0.0337(8) 0.4333(3) 0.2925(4) 0.0409(17) Uani 1 1 d . A .
H15A H 0.1199 0.4382 0.2576 0.049 Uiso 1 1 calc R . .
O1A O 0.1153(5) 0.5384(5) 0.2421(10) 0.158(5) Uani 0.5321(15) 1 d PD A 1
O2A O -0.1124(6) 0.5591(4) 0.2339(7) 0.077(3) Uani 0.5321(15) 1 d PD A 1
N1A N -0.0171(7) 0.5229(3) 0.2526(6) 0.147(6) Uani 0.5321(15) 1 d PD A 1
N2A N -0.3201(7) 0.4136(3) 0.4593(5) 0.147(6) Uani 0.4679(15) 1 d PD A 2
O4A O -0.3225(11) 0.3742(3) 0.5094(6) 0.077(3) Uani 0.4679(15) 1 d PD A 2
O3A O -0.4325(11) 0.4451(5) 0.4607(10) 0.158(5) Uani 0.4679(15) 1 d PD A 2
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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
N1 Co N1 98.4(3) 4 .
N1 Co O1 102.30(19) 4 4
N1 Co O1 97.78(18) . 4
N1 Co O1 97.78(18) 4 .
N1 Co O1 102.30(19) . .
O1 Co O1 149.1(3) 4 .
N1 Co O2 156.99(17) 4 .
N1 Co O2 91.47(18) . .
O1 Co O2 96.84(17) 4 .
O1 Co O2 59.66(17) . .
N1 Co O2 91.47(18) 4 4
N1 Co O2 156.99(17) . 4
O1 Co O2 59.66(17) 4 4
O1 Co O2 96.84(17) . 4
O2 Co O2 87.2(2) . 4
N1 Co C9 128.0(2) 4 .
N1 Co C9 98.61(19) . .
O1 Co C9 123.3(2) 4 .
O1 Co C9 30.47(19) . .
O2 Co C9 29.21(18) . .
O2 Co C9 91.41(18) 4 .
N1 Co C9 98.61(19) 4 4
N1 Co C9 128.0(2) . 4
O1 Co C9 30.47(19) 4 4
O1 Co C9 123.3(2) . 4
O2 Co C9 91.41(18) . 4
O2 Co C9 29.21(18) 4 4
C9 Co C9 108.3(3) . 4
C9 O1 Co 94.8(4) . .
C9 O2 Co 83.6(4) . .
H1W1 O1W H1W2 104(2) . .
C3 N1 C1 105.9(5) . .
C3 N1 Co 121.1(4) . .
C1 N1 Co 132.5(4) . .
C3 N2 C2 105.6(5) . .
C3 N2 C4 125.8(5) . .
C2 N2 C4 128.4(6) . .
N3 N3 C7 114.7(7) 5_756 .
C2 C1 N1 109.3(6) . .
C2 C1 H1A 125.4 . .
N1 C1 H1A 125.4 . .
C1 C2 N2 107.0(6) . .
C1 C2 H2A 126.5 . .
N2 C2 H2A 126.5 . .
N1 C3 N2 112.2(5) . .
N1 C3 H3A 123.9 . .
N2 C3 H3A 123.9 . .
C9A C4 C5 119.9(6) . .
C9A C4 N2 120.8(6) . .
C5 C4 N2 119.2(6) . .
C6 C5 C4 120.2(7) . .
C6 C5 H5A 119.9 . .
C4 C5 H5A 119.9 . .
C7 C6 C5 120.0(7) . .
C7 C6 H6A 120.0 . .
C5 C6 H6A 120.0 . .
C6 C7 C8 119.7(6) . .
C6 C7 N3 123.5(6) . .
C8 C7 N3 116.8(6) . .
C7 C8 C9A 120.7(7) . .
C7 C8 H8A 119.7 . .
C9A C8 H8A 119.7 . .
C4 C9A C8 119.4(6) . .
C4 C9A H9AA 120.3 . .
C8 C9A H9AA 120.3 . .
O2 C9 O1 121.8(6) . .
O2 C9 C10 120.9(6) . .
O1 C9 C10 117.2(6) . .
O2 C9 Co 67.2(3) . .
O1 C9 Co 54.7(3) . .
C10 C9 Co 170.6(4) . .
C15 C10 C11 118.8(6) . .
C15 C10 C9 120.1(6) . .
C11 C10 C9 121.2(6) . .
C12 C11 C10 119.7(6) . .
C12 C11 H11A 120.2 . .
C10 C11 H11A 120.2 . .
C13 C12 C11 122.5(5) . .
C13 C12 N2A 124.0(6) . .
C11 C12 N2A 113.4(6) . .
C13 C12 Br1 116.1(4) . .
C11 C12 Br1 121.4(5) . .
N2A C12 Br1 8.6(3) . .
C12 C13 C14 115.6(5) . .
C12 C13 C13 124.9(6) . 2_465
C14 C13 C13 119.3(6) . 2_465
C15 C14 C13 123.4(5) . .
C15 C14 N1A 105.0(6) . .
C13 C14 N1A 130.5(6) . .
C15 C14 Br2 117.6(5) . .
C13 C14 Br2 119.0(5) . .
N1A C14 Br2 17.0(5) . .
C14 C15 C10 119.6(6) . .
C14 C15 H15A 120.2 . .
C10 C15 H15A 120.2 . .
O2A N1A O1A 114.5(5) . .
O2A N1A C14 116.9(7) . .
O1A N1A C14 124.6(8) . .
O4A N2A O3A 114.5(6) . .
O4A N2A C12 127.5(7) . .
O3A N2A C12 117.7(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co N1 2.052(5) 4
Co N1 2.052(5) .
Co O1 2.057(5) 4
Co O1 2.057(5) .
Co O2 2.329(5) .
Co O2 2.329(5) 4
Co C9 2.511(6) .
Co C9 2.511(6) 4
Br1 C12 1.845(5) .
Br2 C14 1.879(6) .
O1 C9 1.278(8) .
O2 C9 1.233(8) .
O1W H1W1 0.822(17) .
O1W H1W2 0.832(19) .
N1 C3 1.309(8) .
N1 C1 1.390(8) .
N2 C3 1.356(8) .
N2 C2 1.396(9) .
N2 C4 1.421(8) .
N3 N3 1.262(11) 5_756
N3 C7 1.430(8) .
C1 C2 1.344(10) .
C1 H1A 0.9500 .
C2 H2A 0.9500 .
C3 H3A 0.9500 .
C4 C9A 1.380(9) .
C4 C5 1.383(10) .
C5 C6 1.382(10) .
C5 H5A 0.9500 .
C6 C7 1.375(11) .
C6 H6A 0.9500 .
C7 C8 1.380(10) .
C8 C9A 1.383(9) .
C8 H8A 0.9500 .
C9A H9AA 0.9500 .
C9 C10 1.498(8) .
C10 C15 1.377(9) .
C10 C11 1.396(9) .
C11 C12 1.390(9) .
C11 H11A 0.9500 .
C12 C13 1.381(9) .
C12 N2A 1.403(5) .
C13 C14 1.389(9) .
C13 C13 1.514(12) 2_465
C14 C15 1.377(9) .
C14 N1A 1.401(5) .
C15 H15A 0.9500 .
O1A N1A 1.222(5) .
O2A N1A 1.215(5) .
N2A O4A 1.218(5) .
N2A O3A 1.221(5) .
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
O1W H1W2 O2 0.832(19) 2.41(3) 2.944(11) 123(3)
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_4
N1 Co O1 C9 173.5(4) 4 .
N1 Co O1 C9 -86.1(4) . .
O1 Co O1 C9 43.2(3) 4 .
O2 Co O1 C9 -1.6(3) . .
O2 Co O1 C9 81.1(4) 4 .
C9 Co O1 C9 67.8(5) 4 .
N1 Co O2 C9 -10.6(7) 4 .
N1 Co O2 C9 105.1(4) . .
O1 Co O2 C9 -156.9(4) 4 .
O1 Co O2 C9 1.7(3) . .
O2 Co O2 C9 -97.9(4) 4 .
C9 Co O2 C9 -126.8(4) 4 .
N1 Co N1 C3 -63.4(4) 4 .
O1 Co N1 C3 40.3(5) 4 .
O1 Co N1 C3 -163.3(5) . .
O2 Co N1 C3 137.4(5) . .
O2 Co N1 C3 51.1(8) 4 .
C9 Co N1 C3 165.9(5) . .
C9 Co N1 C3 44.5(6) 4 .
N1 Co N1 C1 126.7(6) 4 .
O1 Co N1 C1 -129.6(6) 4 .
O1 Co N1 C1 26.7(6) . .
O2 Co N1 C1 -32.5(6) . .
O2 Co N1 C1 -118.9(6) 4 .
C9 Co N1 C1 -4.0(6) . .
C9 Co N1 C1 -125.4(6) 4 .
C3 N1 C1 C2 -1.6(8) . .
Co N1 C1 C2 169.4(5) . .
N1 C1 C2 N2 2.1(8) . .
C3 N2 C2 C1 -1.8(8) . .
C4 N2 C2 C1 -176.3(7) . .
C1 N1 C3 N2 0.4(7) . .
Co N1 C3 N2 -171.9(4) . .
C2 N2 C3 N1 0.9(7) . .
C4 N2 C3 N1 175.6(6) . .
C3 N2 C4 C9A -145.4(7) . .
C2 N2 C4 C9A 28.1(10) . .
C3 N2 C4 C5 31.2(10) . .
C2 N2 C4 C5 -155.3(7) . .
C9A C4 C5 C6 3.3(11) . .
N2 C4 C5 C6 -173.3(7) . .
C4 C5 C6 C7 -2.8(11) . .
C5 C6 C7 C8 0.8(11) . .
C5 C6 C7 N3 178.5(7) . .
N3 N3 C7 C6 -0.5(11) 5_756 .
N3 N3 C7 C8 177.2(7) 5_756 .
C6 C7 C8 C9A 0.5(10) . .
N3 C7 C8 C9A -177.3(6) . .
C5 C4 C9A C8 -2.0(10) . .
N2 C4 C9A C8 174.6(6) . .
C7 C8 C9A C4 0.0(10) . .
Co O2 C9 O1 -2.8(6) . .
Co O2 C9 C10 174.6(5) . .
Co O1 C9 O2 3.2(6) . .
Co O1 C9 C10 -174.3(5) . .
N1 Co C9 O2 174.7(3) 4 .
N1 Co C9 O2 -77.4(4) . .
O1 Co C9 O2 27.8(4) 4 .
O1 Co C9 O2 -177.1(6) . .
O2 Co C9 O2 81.8(4) 4 .
C9 Co C9 O2 57.5(3) 4 .
N1 Co C9 O1 -8.2(5) 4 .
N1 Co C9 O1 99.7(4) . .
O1 Co C9 O1 -155.1(3) 4 .
O2 Co C9 O1 177.1(6) . .
O2 Co C9 O1 -101.1(4) 4 .
C9 Co C9 O1 -125.4(4) 4 .
N1 Co C9 C10 24(3) 4 .
N1 Co C9 C10 132(3) . .
O1 Co C9 C10 -123(3) 4 .
O1 Co C9 C10 32(3) . .
O2 Co C9 C10 -151(3) . .
O2 Co C9 C10 -69(3) 4 .
C9 Co C9 C10 -93(3) 4 .
O2 C9 C10 C15 -179.7(6) . .
O1 C9 C10 C15 -2.2(9) . .
Co C9 C10 C15 -32(3) . .
O2 C9 C10 C11 -0.3(9) . .
O1 C9 C10 C11 177.2(6) . .
Co C9 C10 C11 148(2) . .
C15 C10 C11 C12 3.0(9) . .
C9 C10 C11 C12 -176.4(6) . .
C10 C11 C12 C13 2.6(10) . .
C10 C11 C12 N2A -174.3(6) . .
C10 C11 C12 Br1 -177.6(5) . .
C11 C12 C13 C14 -7.1(9) . .
N2A C12 C13 C14 169.5(7) . .
Br1 C12 C13 C14 173.1(5) . .
C11 C12 C13 C13 167.4(5) . 2_465
N2A C12 C13 C13 -16.1(10) . 2_465
Br1 C12 C13 C13 -12.5(8) . 2_465
C12 C13 C14 C15 6.4(10) . .
C13 C13 C14 C15 -168.3(6) 2_465 .
C12 C13 C14 N1A 172.8(8) . .
C13 C13 C14 N1A -1.9(12) 2_465 .
C12 C13 C14 Br2 -171.9(5) . .
C13 C13 C14 Br2 13.3(8) 2_465 .
C13 C14 C15 C10 -1.2(11) . .
N1A C14 C15 C10 -170.5(7) . .
Br2 C14 C15 C10 177.2(5) . .
C11 C10 C15 C14 -3.7(10) . .
C9 C10 C15 C14 175.7(6) . .
C15 C14 N1A O2A 155.5(10) . .
C13 C14 N1A O2A -12.8(16) . .
Br2 C14 N1A O2A -64.7(10) . .
C15 C14 N1A O1A -48.3(15) . .
C13 C14 N1A O1A 143.4(13) . .
Br2 C14 N1A O1A 91.5(17) . .
C13 C12 N2A O4A -162.7(10) . .
C11 C12 N2A O4A 14.1(13) . .
Br1 C12 N2A O4A 175(3) . .
C13 C12 N2A O3A 23.5(15) . .
C11 C12 N2A O3A -159.7(11) . .
Br1 C12 N2A O3A 1(2) . .
