#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:07:06 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179880 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/76/7017642.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_7017642
loop_
_publ_author_name
'Yoo, In Young'
'Won Ryu, Dae'
'Hee Yoon, Jung'
'Ram Sohn, Ah'
'Soo Lim, Kwang'
'Ki Cho, Beong'
'Kwan Koh, Eui'
'Seop Hong, Chang'
_publ_section_title
;
 Syntheses, structures, and magnetic characterizations of cyanide-bridged
 Fe(III)Mn(III) chains constructed by mer-Fe(iii)tricyanide and Mn(iii)
 Schiff bases: Magnetostructural relationship.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1776
_journal_page_last               1785
_journal_paper_doi               10.1039/c1dt11293g
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C44 H35 Br2 Fe Mn N11 O4'
_chemical_formula_weight         1052.44
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 96.5400(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.9158(8)
_cell_length_b                   12.0674(5)
_cell_length_c                   20.8933(8)
_cell_measurement_reflns_used    5164
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.1725
_cell_measurement_theta_min      2.317
_cell_volume                     4487.7(3)
_computing_cell_refinement       'Bruker SMART APEXll'
_computing_data_collection       'Bruker SMART APEXll'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    WingX
_computing_publication_material  WingX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scan'
_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  0.0799
_diffrn_reflns_av_sigmaI/netI    0.0677
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            70713
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    2.441
_exptl_absorpt_correction_T_max  0.8231
_exptl_absorpt_correction_T_min  0.5202
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2116
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.095
_refine_diff_density_min         -1.582
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         11086
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.1147
_refine_ls_R_factor_gt           0.0541
_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)+(0.0851P)²+4.9757P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1365
_refine_ls_wR_factor_ref         0.1703
_reflns_number_gt                6718
_reflns_number_total             11086
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt11293g.txt
_cod_data_source_block           p2(1)n
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' 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_sg_symbol_H-M      P2(1)/n
_cod_database_code               7017642
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Fe1 Fe 0.23542(4) 0.52554(5) 0.06571(3) 0.02666(16) Uani 1 1 d .
C1 C 0.2225(3) 0.5546(4) 0.1556(2) 0.0318(10) Uani 1 1 d .
C2 C 0.2725(2) 0.3821(4) 0.09929(19) 0.0280(9) Uani 1 1 d .
C3 C 0.1986(3) 0.6779(4) 0.0510(2) 0.0330(10) Uani 1 1 d .
C4 C 0.0802(3) 0.4439(4) 0.0805(2) 0.0391(11) Uani 1 1 d .
H4 H 0.0846 0.4749 0.1215 0.047 Uiso 1 1 calc R
C5 C 0.0148(3) 0.3843(5) 0.0595(3) 0.0460(13) Uani 1 1 d .
H5 H -0.0233 0.3774 0.0860 0.055 Uiso 1 1 calc R
C6 C 0.0073(3) 0.3372(5) 0.0006(3) 0.0478(13) Uani 1 1 d .
H6 H -0.0352 0.2955 -0.0132 0.057 Uiso 1 1 calc R
C7 C 0.0646(3) 0.3515(5) -0.0403(3) 0.0445(12) Uani 1 1 d .
C8 C 0.0637(3) 0.3048(6) -0.1032(3) 0.0600(16) Uani 1 1 d .
H8 H 0.0230 0.2621 -0.1202 0.072 Uiso 1 1 calc R
C9 C 0.1214(3) 0.3222(6) -0.1382(3) 0.0581(16) Uani 1 1 d .
H9 H 0.1199 0.2900 -0.1788 0.070 Uiso 1 1 calc R
C10 C 0.1840(3) 0.3880(5) -0.1150(2) 0.0450(13) Uani 1 1 d .
H10 H 0.2222 0.4008 -0.1407 0.054 Uiso 1 1 calc R
C11 C 0.1883(3) 0.4330(4) -0.0539(2) 0.0331(10) Uani 1 1 d .
C12 C 0.1283(3) 0.4139(4) -0.0165(2) 0.0335(10) Uani 1 1 d .
C13 C 0.3099(3) 0.5267(4) -0.0445(2) 0.0287(9) Uani 1 1 d .
C14 C 0.3644(2) 0.5771(3) 0.00780(19) 0.0265(9) Uani 1 1 d .
C15 C 0.4377(3) 0.6171(4) -0.0009(2) 0.0301(10) Uani 1 1 d .
C16 C 0.4656(3) 0.6235(4) -0.0619(2) 0.0368(11) Uani 1 1 d .
H16 H 0.4359 0.6014 -0.0991 0.044 Uiso 1 1 calc R
C17 C 0.5366(3) 0.6623(4) -0.0650(2) 0.0390(11) Uani 1 1 d .
H17 H 0.5548 0.6666 -0.1049 0.047 Uiso 1 1 calc R
C18 C 0.5830(3) 0.6959(4) -0.0101(3) 0.0394(12) Uani 1 1 d .
H18 H 0.6310 0.7225 -0.0139 0.047 Uiso 1 1 calc R
C19 C 0.5580(3) 0.6897(4) 0.0494(3) 0.0395(11) Uani 1 1 d .
H19 H 0.5892 0.7109 0.0859 0.047 Uiso 1 1 calc R
C20 C 0.4843(3) 0.6509(4) 0.0549(2) 0.0314(10) Uani 1 1 d .
C21 C 0.4554(3) 0.6461(4) 0.1149(2) 0.0388(11) Uani 1 1 d .
H21 H 0.4857 0.6660 0.1522 0.047 Uiso 1 1 calc R
C22 C 0.3848(3) 0.6131(4) 0.1184(2) 0.0347(11) Uani 1 1 d .
H22 H 0.3664 0.6140 0.1583 0.042 Uiso 1 1 calc R
N1 N 0.2147(2) 0.5713(3) 0.20812(17) 0.0326(9) Uani 1 1 d .
N2 N 0.2921(2) 0.2991(3) 0.12078(17) 0.0315(8) Uani 1 1 d .
N3 N 0.1772(3) 0.7672(4) 0.0451(2) 0.0499(11) Uani 1 1 d .
N4 N 0.1358(2) 0.4579(3) 0.04485(17) 0.0305(8) Uani 1 1 d .
N5 N 0.2460(2) 0.4935(3) -0.02029(16) 0.0277(8) Uani 1 1 d .
N6 N 0.3382(2) 0.5779(3) 0.06544(16) 0.0281(8) Uani 1 1 d .
O1 O 0.32295(19) 0.5176(3) -0.10100(14) 0.0395(8) Uani 1 1 d .
Mn1 Mn 0.28819(4) 0.17424(5) 0.20129(3) 0.02241(15) Uani 1 1 d .
C23 C 0.1253(2) 0.1827(4) 0.1901(2) 0.0272(9) Uani 1 1 d .
C24 C 0.0560(3) 0.1360(4) 0.1653(2) 0.0312(10) Uani 1 1 d .
H24 H 0.0557 0.0749 0.1381 0.037 Uiso 1 1 calc R
C25 C -0.0112(3) 0.1777(4) 0.1801(2) 0.0354(11) Uani 1 1 d .
H25 H -0.0563 0.1455 0.1631 0.042 Uiso 1 1 calc R
C26 C -0.0108(3) 0.2692(4) 0.2208(2) 0.0360(11) Uani 1 1 d .
C27 C 0.0549(3) 0.3180(4) 0.2460(2) 0.0312(10) Uani 1 1 d .
H27 H 0.0537 0.3796 0.2726 0.037 Uiso 1 1 calc R
C28 C 0.1246(2) 0.2758(3) 0.23192(19) 0.0253(9) Uani 1 1 d .
C29 C 0.1915(2) 0.3309(3) 0.26090(19) 0.0250(9) Uani 1 1 d .
H29 H 0.1855 0.3917 0.2872 0.030 Uiso 1 1 calc R
C30 C 0.3232(3) 0.3691(4) 0.2809(2) 0.0353(11) Uani 1 1 d .
H30A H 0.3117 0.4040 0.3205 0.042 Uiso 1 1 calc R
H30B H 0.3339 0.4269 0.2510 0.042 Uiso 1 1 calc R
C31 C 0.3896(3) 0.2948(4) 0.2945(2) 0.0337(10) Uani 1 1 d .
H31A H 0.4355 0.3382 0.3002 0.040 Uiso 1 1 calc R
H31B H 0.3859 0.2529 0.3336 0.040 Uiso 1 1 calc R
C32 C 0.4522(3) 0.1848(4) 0.2207(2) 0.0311(10) Uani 1 1 d .
H32 H 0.4966 0.2143 0.2412 0.037 Uiso 1 1 calc R
C33 C 0.4587(2) 0.1044(4) 0.17093(19) 0.0267(9) Uani 1 1 d .
C34 C 0.5316(3) 0.0824(4) 0.1543(2) 0.0332(10) Uani 1 1 d .
H34 H 0.5726 0.1200 0.1753 0.040 Uiso 1 1 calc R
C35 C 0.5423(3) 0.0067(4) 0.1079(2) 0.0332(10) Uani 1 1 d .
C36 C 0.4814(3) -0.0483(4) 0.0750(2) 0.0343(11) Uani 1 1 d .
H36 H 0.4890 -0.0980 0.0424 0.041 Uiso 1 1 calc R
C37 C 0.4102(3) -0.0297(4) 0.0905(2) 0.0290(9) Uani 1 1 d .
H37 H 0.3701 -0.0684 0.0689 0.035 Uiso 1 1 calc R
C38 C 0.3967(2) 0.0478(3) 0.1390(2) 0.0267(9) Uani 1 1 d .
C39 C 0.5957(5) 0.4549(5) 0.2414(3) 0.0609(18) Uani 1 1 d .
C40 C 0.6734(4) 0.4946(6) 0.2550(3) 0.070(2) Uani 1 1 d .
H40A H 0.6876 0.4953 0.3008 0.106 Uiso 1 1 calc R
H40B H 0.6770 0.5683 0.2383 0.106 Uiso 1 1 calc R
H40C H 0.7064 0.4463 0.2350 0.106 Uiso 1 1 calc R
C41 C 0.7229(3) 0.2296(5) 0.1651(3) 0.0437(12) Uani 1 1 d .
N7 N 0.2587(2) 0.3021(3) 0.25297(16) 0.0253(8) Uani 1 1 d .
N8 N 0.3907(2) 0.2192(3) 0.23937(17) 0.0278(8) Uani 1 1 d .
O2 O 0.18757(16) 0.1385(2) 0.17345(15) 0.0308(7) Uani 1 1 d .
O3 O 0.32712(16) 0.0593(2) 0.15338(13) 0.0253(6) Uani 1 1 d .
Br1 Br -0.10372(3) 0.32616(6) 0.24295(3) 0.0620(2) Uani 1 1 d .
Br2 Br 0.64147(3) -0.02429(5) 0.08840(3) 0.04618(16) Uani 1 1 d .
C42 C 0.7580(3) 0.2329(5) 0.1055(3) 0.0498(14) Uani 1 1 d .
H42A H 0.7883 0.1679 0.1026 0.075 Uiso 1 1 calc R
H42B H 0.7890 0.2977 0.1052 0.075 Uiso 1 1 calc R
H42C H 0.7197 0.2351 0.0694 0.075 Uiso 1 1 calc R
C43 C 0.8389(4) 0.9523(5) 1.0398(3) 0.0584(16) Uani 1 1 d .
C44 C 0.8080(5) 0.9115(9) 0.9784(4) 0.109(3) Uani 1 1 d .
H44A H 0.7567 0.8901 0.9802 0.163 Uiso 1 1 calc R
H44B H 0.8364 0.8484 0.9671 0.163 Uiso 1 1 calc R
H44C H 0.8102 0.9684 0.9466 0.163 Uiso 1 1 calc R
N9 N 0.5351(4) 0.4241(5) 0.2311(3) 0.0724(16) Uani 1 1 d .
N10 N 0.6959(3) 0.2257(5) 0.2113(2) 0.0568(13) Uani 1 1 d .
N11 N 0.8609(5) 0.9869(6) 1.0885(3) 0.093(2) Uani 1 1 d .
O4 O 0.0498(6) 0.9276(9) 0.0499(6) 0.215(5) Uani 1 1 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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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'
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_3
N5 Fe1 N6 82.23(15) .
N5 Fe1 C1 178.18(18) .
N6 Fe1 C1 99.23(17) .
N5 Fe1 C2 95.43(16) .
N6 Fe1 C2 90.32(17) .
C1 Fe1 C2 83.49(17) .
N5 Fe1 N4 83.68(16) .
N6 Fe1 N4 165.70(15) .
C1 Fe1 N4 94.81(18) .
C2 Fe1 N4 88.56(17) .
N5 Fe1 C3 96.40(17) .
N6 Fe1 C3 89.79(17) .
C1 Fe1 C3 84.72(18) .
C2 Fe1 C3 168.07(17) .
N4 Fe1 C3 94.23(18) .
N1 C1 Fe1 179.7(5) .
N2 C2 Fe1 177.2(4) .
N3 C3 Fe1 177.2(4) .
N4 C4 C5 123.1(5) .
C6 C5 C4 119.7(5) .
C5 C6 C7 119.6(5) .
C12 C7 C6 117.7(5) .
C12 C7 C8 117.3(5) .
C6 C7 C8 124.9(5) .
C9 C8 C7 120.5(5) .
C8 C9 C10 121.9(5) .
C11 C10 C9 119.7(5) .
C10 C11 N5 129.3(5) .
C10 C11 C12 118.7(5) .
N5 C11 C12 111.9(4) .
N4 C12 C7 121.5(4) .
N4 C12 C11 116.7(4) .
C7 C12 C11 121.8(4) .
O1 C13 N5 126.0(4) .
O1 C13 C14 123.5(4) .
N5 C13 C14 110.5(3) .
N6 C14 C15 122.1(4) .
N6 C14 C13 113.0(4) .
C15 C14 C13 124.9(4) .
C20 C15 C16 119.2(4) .
C20 C15 C14 117.2(4) .
C16 C15 C14 123.6(4) .
C17 C16 C15 119.0(5) .
C16 C17 C18 122.1(5) .
C19 C18 C17 120.2(5) .
C18 C19 C20 119.7(5) .
C21 C20 C15 118.6(4) .
C21 C20 C19 121.7(4) .
C15 C20 C19 119.7(4) .
C22 C21 C20 120.5(5) .
C21 C22 N6 122.6(4) .
C1 N1 Mn1 156.4(4) 2
C2 N2 Mn1 147.6(3) .
C4 N4 C12 118.3(4) .
C4 N4 Fe1 130.7(3) .
C12 N4 Fe1 110.8(3) .
C13 N5 C11 125.0(4) .
C13 N5 Fe1 118.5(3) .
C11 N5 Fe1 116.4(3) .
C14 N6 C22 118.9(4) .
C14 N6 Fe1 115.3(3) .
C22 N6 Fe1 125.8(3) .
O2 Mn1 O3 93.82(13) .
O2 Mn1 N7 92.37(14) .
O3 Mn1 N7 173.62(14) .
O2 Mn1 N8 173.71(14) .
O3 Mn1 N8 91.84(13) .
N7 Mn1 N8 82.04(14) .
O2 Mn1 N2 91.87(14) .
O3 Mn1 N2 92.88(13) .
N7 Mn1 N2 85.40(13) .
N8 Mn1 N2 90.58(15) .
O2 Mn1 N1 91.18(14) 2_545
O3 Mn1 N1 94.86(13) 2_545
N7 Mn1 N1 86.51(14) 2_545
N8 Mn1 N1 85.61(14) 2_545
N2 Mn1 N1 171.47(13) 2_545
O2 C23 C24 118.6(4) .
O2 C23 C28 123.2(4) .
C24 C23 C28 118.2(4) .
C25 C24 C23 122.0(4) .
C24 C25 C26 119.0(4) .
C27 C26 C25 121.3(4) .
C27 C26 Br1 119.3(4) .
C25 C26 Br1 119.4(4) .
C26 C27 C28 120.6(4) .
C27 C28 C23 118.9(4) .
C27 C28 C29 117.3(4) .
C23 C28 C29 123.8(4) .
N7 C29 C28 124.7(4) .
N7 C30 C31 108.5(4) .
N8 C31 C30 107.8(4) .
N8 C32 C33 125.7(4) .
C38 C33 C34 119.6(4) .
C38 C33 C32 123.2(4) .
C34 C33 C32 117.3(4) .
C35 C34 C33 120.7(4) .
C34 C35 C36 120.4(4) .
C34 C35 Br2 119.7(4) .
C36 C35 Br2 119.9(3) .
C37 C36 C35 120.3(4) .
C36 C37 C38 121.0(4) .
O3 C38 C33 123.7(4) .
O3 C38 C37 118.2(4) .
C33 C38 C37 118.0(4) .
N9 C39 C40 179.7(7) .
N10 C41 C42 179.2(6) .
C29 N7 C30 120.3(4) .
C29 N7 Mn1 126.3(3) .
C30 N7 Mn1 113.4(3) .
C32 N8 C31 121.9(4) .
C32 N8 Mn1 125.2(3) .
C31 N8 Mn1 112.8(3) .
C23 O2 Mn1 129.5(3) .
C38 O3 Mn1 127.7(3) .
N11 C43 C44 177.3(8) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 N5 1.868(3) .
Fe1 N6 1.948(4) .
Fe1 C1 1.950(4) .
Fe1 C2 1.955(5) .
Fe1 N4 1.965(4) .
Fe1 C3 1.966(5) .
C1 N1 1.140(5) .
C2 N2 1.137(6) .
C3 N3 1.146(6) .
C4 N4 1.322(6) .
C4 C5 1.402(7) .
C5 C6 1.348(8) .
C6 C7 1.420(7) .
C7 C12 1.409(7) .
C7 C8 1.429(8) .
C8 C9 1.349(8) .
C9 C10 1.415(8) .
C10 C11 1.381(6) .
C11 N5 1.390(6) .
C11 C12 1.417(7) .
C12 N4 1.381(6) .
C13 O1 1.234(5) .
C13 N5 1.363(6) .
C13 C14 1.508(6) .
C14 N6 1.341(5) .
C14 C15 1.430(6) .
C15 C20 1.414(6) .
C15 C16 1.424(6) .
C16 C17 1.364(7) .
C17 C18 1.397(7) .
C18 C19 1.370(7) .
C19 C20 1.418(7) .
C20 C21 1.410(6) .
C21 C22 1.336(7) .
C22 N6 1.375(6) .
N1 Mn1 2.269(4) 2
N2 Mn1 2.265(4) .
Mn1 O2 1.880(3) .
Mn1 O3 1.890(3) .
Mn1 N7 1.989(3) .
Mn1 N8 1.992(4) .
Mn1 N1 2.269(4) 2_545
C23 O2 1.318(5) .
C23 C24 1.408(6) .
C23 C28 1.424(6) .
C24 C25 1.372(6) .
C25 C26 1.394(7) .
C26 C27 1.367(6) .
C26 Br1 1.906(5) .
C27 C28 1.409(6) .
C28 C29 1.444(6) .
C29 N7 1.282(5) .
C30 N7 1.475(6) .
C30 C31 1.492(6) .
C31 N8 1.471(5) .
C32 N8 1.278(6) .
C32 C33 1.437(6) .
C33 C38 1.406(6) .
C33 C34 1.414(6) .
C34 C35 1.361(6) .
C35 C36 1.390(7) .
C35 Br2 1.905(4) .
C36 C37 1.369(6) .
C37 C38 1.420(6) .
C38 O3 1.322(5) .
C39 N9 1.143(8) .
C39 C40 1.469(10) .
C41 N10 1.129(7) .
C41 C42 1.458(7) .
C43 N11 1.127(8) .
C43 C44 1.426(9) .
