#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:16:52 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179835 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/31/7013194.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_7013194
loop_
_publ_author_name
'Mukherjee, Jhumpa'
'Balamurugan, V.'
'Gupta, Rajeev'
'Mukherjee, Rabindranath'
_publ_section_title
;
 Synthesis and properties of FeIII and CoIII complexes: structures of
 [(L2)Fe(N3)3],
 [(L2)2Fe2(�-O)(�-O2CMe)2][ClO4]2�2H2O and
 [(L2)2Co2(�-OH)2(�-O2CMe)][ClO4]3�MeCN [L2 =
 methyl[2-(2-pyridyl)ethyl](2-pyridylmethyl)amine]Electronic
 supplementary information (ESI) available: Fig. S1?S3 discussed in the
 text. See http://www.rsc.org/suppdata/dt/b3/b305470e/
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              3686
_journal_paper_doi               10.1039/b305470e
_journal_year                    2003
_chemical_formula_moiety         'C32 H40 N6 FE O5, 2[Cl O4], 2[H2 O]'
_chemical_formula_sum            'C32 H44 Cl2 Fe2 N6 O15'
_chemical_formula_weight         935.33
_chemical_name_systematic
;
?
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P -2bc 2a'
_symmetry_space_group_name_H-M   'P 21 n b'
_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                   13.453(6)
_cell_length_b                   17.69(2)
_cell_length_c                   18.692(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_volume                     4448(6)
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare, et. al. 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'CAD4 mach'
_diffrn_measurement_method       'non-profiled omega/2theta 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  0.2699
_diffrn_reflns_av_sigmaI/netI    0.1771
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11418
_diffrn_reflns_theta_full        22.55
_diffrn_reflns_theta_max         22.55
_diffrn_reflns_theta_min         1.87
_diffrn_standards_interval_count 90
_diffrn_standards_interval_time  'one hour'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.839
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Brownish-orange
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.845
_refine_diff_density_min         -0.665
_refine_diff_density_rms         0.145
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.04(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     216
_refine_ls_number_reflns         2969
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.2369
_refine_ls_R_factor_gt           0.1010
_refine_ls_shift/su_max          0.071
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1725P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2328
_refine_ls_wR_factor_ref         0.3235
_reflns_number_gt                1237
_reflns_number_total             2969
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b305470e.txt
_cod_data_source_block           melfe1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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_cell_volume        4449(7)
_cod_original_sg_symbol_H-M      P2(1)nb
_cod_database_code               7013194
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, y+1/2, -z+1/2'
'x+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe -0.2330(3) 0.1869(3) 0.2355(3) 0.0376(17) Uani 1 1 d . . .
Fe2 Fe -0.0008(2) 0.1878(3) 0.2347(3) 0.0379(17) Uani 1 1 d . . .
Cl1 Cl -0.1137(12) 0.1450(4) -0.0679(4) 0.062(2) Uani 1 1 d . . .
Cl2 Cl -0.1153(11) -0.0239(4) 0.5907(3) 0.0558(17) Uani 1 1 d . . .
O1 O -0.117(3) 0.1828(9) 0.1881(7) 0.050(2) Uani 1 1 d . . .
O2 O -0.1979(19) 0.2828(14) 0.2926(12) 0.050(2) Uani 1 1 d . . .
O3 O -0.0342(19) 0.2718(14) 0.3023(12) 0.050(2) Uani 1 1 d . . .
O4 O -0.1993(18) 0.1034(13) 0.3051(12) 0.050(2) Uani 1 1 d . . .
O5 O -0.0319(18) 0.1171(12) 0.3156(12) 0.050(2) Uani 1 1 d . . .
O6 O -0.193(3) 0.176(2) -0.0317(19) 0.132(5) Uani 1 1 d . . .
O7 O -0.117(4) 0.0653(16) -0.0459(14) 0.132(5) Uani 1 1 d . . .
O8 O -0.113(4) 0.1366(15) -0.1395(15) 0.132(5) Uani 1 1 d . . .
O9 O -0.012(3) 0.172(2) -0.0498(19) 0.132(5) Uani 1 1 d . . .
O10 O -0.196(2) -0.0098(17) 0.5482(16) 0.090(4) Uani 1 1 d . . .
O11 O -0.116(3) 0.0124(12) 0.6587(10) 0.090(4) Uani 1 1 d . . .
O12 O -0.015(2) -0.0275(17) 0.5611(15) 0.090(4) Uani 1 1 d . . .
O13 O -0.131(2) -0.1054(14) 0.6063(12) 0.090(4) Uani 1 1 d . . .
N1 N -0.3046(15) 0.0989(10) 0.1756(11) 0.041(2) Uani 1 1 d G . .
C1 C -0.2572(13) 0.0789(11) 0.1123(12) 0.054(5) Uani 1 1 d G . .
H1 H -0.2060 0.1087 0.0945 0.064 Uiso 1 1 calc R . .
C2 C -0.2863(16) 0.0142(12) 0.0756(9) 0.054(5) Uani 1 1 d G . .
H2 H -0.2546 0.0008 0.0333 0.064 Uiso 1 1 calc R . .
C3 C -0.3629(16) -0.0304(10) 0.1023(11) 0.054(5) Uani 1 1 d G . .
H3 H -0.3824 -0.0737 0.0777 0.064 Uiso 1 1 calc R . .
C4 C -0.4103(14) -0.0104(11) 0.1656(11) 0.054(5) Uani 1 1 d G . .
H4 H -0.4615 -0.0403 0.1834 0.064 Uiso 1 1 calc R . .
C5 C -0.3812(15) 0.0543(12) 0.2022(10) 0.054(5) Uani 1 1 d GD . .
N3 N -0.3000(16) 0.2706(11) 0.1629(11) 0.041(2) Uani 1 1 d G . .
C10 C -0.3752(16) 0.3216(13) 0.1794(9) 0.056(5) Uani 1 1 d G . .
C11 C -0.3956(16) 0.3813(12) 0.1334(11) 0.056(5) Uani 1 1 d G . .
H11 H -0.4459 0.4155 0.1445 0.067 Uiso 1 1 calc R . .
C12 C -0.3410(18) 0.3900(12) 0.0708(10) 0.056(5) Uani 1 1 d G . .
H12 H -0.3547 0.4300 0.0400 0.067 Uiso 1 1 calc R . .
C13 C -0.2659(16) 0.3390(14) 0.0543(9) 0.056(5) Uani 1 1 d G . .
H13 H -0.2293 0.3448 0.0124 0.067 Uiso 1 1 calc R . .
C14 C -0.2454(15) 0.2793(12) 0.1003(11) 0.056(5) Uani 1 1 d G . .
H14 H -0.1951 0.2452 0.0892 0.067 Uiso 1 1 calc R . .
N4 N 0.0616(16) 0.2679(11) 0.1623(12) 0.041(2) Uani 1 1 d G . .
C15 C 0.0193(15) 0.2822(12) 0.0957(12) 0.062(6) Uani 1 1 d G . .
H15 H -0.0319 0.2517 0.0790 0.074 Uiso 1 1 calc R . .
C16 C 0.0537(18) 0.3420(13) 0.0543(10) 0.062(6) Uani 1 1 d G . .
H16 H 0.0254 0.3515 0.0098 0.074 Uiso 1 1 calc R . .
C17 C 0.1303(18) 0.3875(11) 0.0794(13) 0.062(6) Uani 1 1 d G . .
H17 H 0.1533 0.4275 0.0517 0.074 Uiso 1 1 calc R . .
C18 C 0.1726(17) 0.3733(12) 0.1459(14) 0.062(6) Uani 1 1 d G . .
H18 H 0.2238 0.4038 0.1627 0.074 Uiso 1 1 calc R . .
C19 C 0.1382(18) 0.3135(13) 0.1874(10) 0.062(6) Uani 1 1 d GD . .
N6 N 0.0623(14) 0.0986(10) 0.1757(12) 0.041(2) Uani 1 1 d G . .
C24 C 0.1440(16) 0.0675(12) 0.2104(10) 0.061(5) Uani 1 1 d GD . .
C25 C 0.1935(15) 0.0063(12) 0.1805(13) 0.061(5) Uani 1 1 d G . .
H25 H 0.2482 -0.0145 0.2037 0.073 Uiso 1 1 calc R . .
C26 C 0.1614(16) -0.0239(11) 0.1158(13) 0.061(5) Uani 1 1 d G . .
H26 H 0.1945 -0.0649 0.0958 0.073 Uiso 1 1 calc R . .
C27 C 0.0797(17) 0.0072(13) 0.0811(10) 0.061(5) Uani 1 1 d G . .
H27 H 0.0581 -0.0129 0.0379 0.073 Uiso 1 1 calc R . .
C28 C 0.0301(14) 0.0685(12) 0.1111(12) 0.061(5) Uani 1 1 d G . .
H28 H -0.0246 0.0893 0.0879 0.073 Uiso 1 1 calc R . .
C29 C -0.117(4) 0.3057(13) 0.3095(11) 0.042(5) Uiso 1 1 d . . .
C30 C -0.117(5) 0.3844(18) 0.3424(18) 0.101(10) Uiso 1 1 d . . .
H30A H -0.1838 0.4040 0.3430 0.152 Uiso 1 1 calc R . .
H30B H -0.0756 0.4172 0.3146 0.152 Uiso 1 1 calc R . .
H30C H -0.0923 0.3817 0.3905 0.152 Uiso 1 1 calc R . .
C31 C -0.100(2) 0.0832(13) 0.3281(12) 0.040(7) Uiso 1 1 d . . .
C32 C -0.103(4) 0.009(2) 0.3697(18) 0.107(13) Uiso 1 1 d . . .
H32A H -0.1694 -0.0106 0.3695 0.160 Uiso 1 1 calc R . .
H32B H -0.0821 0.0178 0.4181 0.160 Uiso 1 1 calc R . .
H32C H -0.0589 -0.0268 0.3476 0.160 Uiso 1 1 calc R . .
O1W O -0.060(3) 0.3566(18) 0.5558(13) 0.17(2) Uani 1 1 d . . .
O2W O -0.193(3) 0.268(3) 0.5213(16) 0.23(3) Uani 1 1 d . . .
C20 C 0.177(2) 0.3020(15) 0.2655(12) 0.061(9) Uiso 1 1 d D . .
H20A H 0.2247 0.3407 0.2780 0.073 Uiso 1 1 calc R . .
H20B H 0.1221 0.3039 0.2993 0.073 Uiso 1 1 calc R . .
C6 C -0.404(3) 0.0989(16) 0.2741(14) 0.070 Uiso 1 1 d D . .
H6A H -0.3714 0.0709 0.3120 0.084 Uiso 1 1 calc R . .
H6B H -0.4749 0.0936 0.2823 0.084 Uiso 1 1 calc R . .
N5 N 0.143(2) 0.1648(13) 0.2835(18) 0.074(5) Uiso 1 1 d D . .
C23 C 0.2049(19) 0.0881(14) 0.2757(14) 0.050 Uiso 1 1 d D . .
H23A H 0.2748 0.0960 0.2656 0.061 Uiso 1 1 calc R . .
H23B H 0.1962 0.0535 0.3155 0.061 Uiso 1 1 calc R . .
C21 C 0.225(2) 0.2233(14) 0.2655(19) 0.067 Uiso 1 1 d D . .
H21A H 0.2780 0.2212 0.3010 0.080 Uiso 1 1 calc R . .
H21B H 0.2541 0.2126 0.2190 0.080 Uiso 1 1 calc R . .
C9 C -0.437(3) 0.2909(15) 0.2429(18) 0.061 Uiso 1 1 d D . .
H9A H -0.4960 0.3217 0.2469 0.073 Uiso 1 1 calc R . .
H9B H -0.3980 0.2990 0.2861 0.073 Uiso 1 1 calc R . .
C22 C 0.145(3) 0.215(2) 0.361(2) 0.085(13) Uiso 1 1 d . . .
H22A H 0.0957 0.1955 0.3935 0.128 Uiso 1 1 calc R . .
H22B H 0.1306 0.2673 0.3513 0.128 Uiso 1 1 calc R . .
H22C H 0.2095 0.2112 0.3828 0.128 Uiso 1 1 calc R . .
C7 C -0.378(2) 0.1831(18) 0.3695(16) 0.046(8) Uiso 1 1 d . . .
H7A H -0.3635 0.2318 0.3894 0.070 Uiso 1 1 calc R . .
H7B H -0.3288 0.1474 0.3845 0.070 Uiso 1 1 calc R . .
H7C H -0.4425 0.1668 0.3856 0.070 Uiso 1 1 calc R . .
N2 N -0.378(2) 0.1884(14) 0.2885(17) 0.074(5) Uiso 1 1 d D . .
C8 C -0.471(2) 0.2026(15) 0.2422(18) 0.065 Uiso 1 1 d D . .
H8A H -0.5338 0.1929 0.2664 0.078 Uiso 1 1 calc R . .
H8B H -0.4694 0.1789 0.1954 0.078 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'
Cl Cl 0.1484 0.1585 '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'
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'
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
O1 Fe1 O4 95.4(9) . . ?
O1 Fe1 O2 95.2(9) . . ?
O4 Fe1 O2 102.5(9) . . ?
O1 Fe1 N1 95.9(9) . . ?
O4 Fe1 N1 84.7(9) . . ?
O2 Fe1 N1 166.2(9) . . ?
O1 Fe1 N2 176.9(11) . . ?
O4 Fe1 N2 85.3(10) . . ?
O2 Fe1 N2 87.7(10) . . ?
N1 Fe1 N2 81.1(9) . . ?
O1 Fe1 N3 94.5(9) . . ?
O4 Fe1 N3 168.7(9) . . ?
O2 Fe1 N3 81.9(9) . . ?
N1 Fe1 N3 89.0(9) . . ?
N2 Fe1 N3 84.6(9) . . ?
O1 Fe2 O3 98.5(10) . . ?
O1 Fe2 O5 98.8(10) . . ?
O3 Fe2 O5 86.6(9) . . ?
O1 Fe2 N6 93.5(9) . . ?
O3 Fe2 N6 168.0(10) . . ?
O5 Fe2 N6 90.6(9) . . ?
O1 Fe2 N4 93.9(9) . . ?
O3 Fe2 N4 89.8(9) . . ?
O5 Fe2 N4 167.1(10) . . ?
N6 Fe2 N4 90.4(9) . . ?
O1 Fe2 N5 165.9(9) . . ?
O3 Fe2 N5 94.2(10) . . ?
O5 Fe2 N5 75.6(10) . . ?
N6 Fe2 N5 73.8(10) . . ?
N4 Fe2 N5 92.4(10) . . ?
O8 Cl1 O6 123(3) . . ?
O8 Cl1 O7 100.0(17) . . ?
O6 Cl1 O7 103(2) . . ?
O8 Cl1 O9 105(2) . . ?
O6 Cl1 O9 118.4(19) . . ?
O7 Cl1 O9 105(3) . . ?
O10 Cl2 O11 116(2) . . ?
O10 Cl2 O12 121.5(14) . . ?
O11 Cl2 O12 111(2) . . ?
O10 Cl2 O13 100.1(17) . . ?
O11 Cl2 O13 105.1(14) . . ?
O12 Cl2 O13 99.6(17) . . ?
Fe1 O1 Fe2 121.1(8) . . ?
C29 O2 Fe1 128(2) . . ?
C29 O3 Fe2 128(2) . . ?
C31 O4 Fe1 125.4(17) . . ?
C31 O5 Fe2 131(2) . . ?
C1 N1 C5 120.0 . . ?
C1 N1 Fe1 115.0(11) . . ?
C5 N1 Fe1 123.9(11) . . ?
N1 C1 C2 120.0 . . ?
C3 C2 C1 120.0 . . ?
C2 C3 C4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C4 C5 N1 120.0 . . ?
C4 C5 C6 140.5(17) . . ?
N1 C5 C6 99.5(17) . . ?
C10 N3 C14 120.0 . . ?
C10 N3 Fe1 126.7(11) . . ?
C14 N3 Fe1 112.1(11) . . ?
N3 C10 C11 120.0 . . ?
N3 C10 C9 109.3(18) . . ?
C11 C10 C9 129.6(18) . . ?
C12 C11 C10 120.0 . . ?
C11 C12 C13 120.0 . . ?
C14 C13 C12 120.0 . . ?
C13 C14 N3 120.0 . . ?
C15 N4 C19 120.0 . . ?
C15 N4 Fe2 121.8(12) . . ?
C19 N4 Fe2 117.6(13) . . ?
N4 C15 C16 120.0 . . ?
C17 C16 C15 120.0 . . ?
C16 C17 C18 120.0 . . ?
C17 C18 C19 120.0 . . ?
C18 C19 N4 120.0 . . ?
C18 C19 C20 120.6(19) . . ?
N4 C19 C20 119.0(19) . . ?
C24 N6 C28 120.0 . . ?
C24 N6 Fe2 111.8(12) . . ?
C28 N6 Fe2 128.1(12) . . ?
C25 C24 N6 120.0 . . ?
C25 C24 C23 104.6(16) . . ?
N6 C24 C23 135.1(16) . . ?
C24 C25 C26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C28 C27 C26 120.0 . . ?
C27 C28 N6 120.0 . . ?
O2 C29 O3 127(2) . . ?
O2 C29 C30 115(5) . . ?
O3 C29 C30 118(5) . . ?
O5 C31 O4 124(2) . . ?
O5 C31 C32 126(3) . . ?
O4 C31 C32 110(3) . . ?
C21 C20 C19 105(2) . . ?
C5 C6 N2 125(2) . . ?
C21 N5 C23 100(2) . . ?
C21 N5 C22 80(2) . . ?
C23 N5 C22 121(3) . . ?
C21 N5 Fe2 114.8(19) . . ?
C23 N5 Fe2 125.7(19) . . ?
C22 N5 Fe2 106(2) . . ?
C24 C23 N5 89.7(17) . . ?
C20 C21 N5 107(2) . . ?
C10 C9 C8 119(3) . . ?
C7 N2 C8 125(3) . . ?
C7 N2 C6 96(2) . . ?
C8 N2 C6 84(2) . . ?
C7 N2 Fe1 116.8(19) . . ?
C8 N2 Fe1 118(2) . . ?
C6 N2 Fe1 95.9(18) . . ?
N2 C8 C9 85(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
Fe1 O1 1.79(3) . ?
Fe1 O4 2.02(2) . ?
Fe1 O2 2.06(3) . ?
Fe1 N1 2.146(15) . ?
Fe1 N2 2.19(3) . ?
Fe1 N3 2.202(16) . ?
Fe2 O1 1.79(4) . ?
Fe2 O3 2.00(3) . ?
Fe2 O5 2.01(2) . ?
Fe2 N6 2.103(15) . ?
Fe2 N4 2.132(16) . ?
Fe2 N5 2.17(3) . ?
Cl1 O8 1.35(3) . ?
Cl1 O6 1.37(3) . ?
Cl1 O7 1.47(3) . ?
Cl1 O9 1.49(4) . ?
Cl2 O10 1.37(3) . ?
Cl2 O11 1.425(19) . ?
Cl2 O12 1.46(3) . ?
Cl2 O13 1.49(2) . ?
O2 C29 1.20(5) . ?
O3 C29 1.28(5) . ?
O4 C31 1.45(4) . ?
O5 C31 1.12(3) . ?
N1 C1 1.3900 . ?
N1 C5 1.3900 . ?
C1 C2 1.3900 . ?
C2 C3 1.3900 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 C6 1.589(18) . ?
N3 C10 1.3900 . ?
N3 C14 1.3900 . ?
C10 C11 1.3900 . ?
C10 C9 1.54(3) . ?
C11 C12 1.3900 . ?
C12 C13 1.3900 . ?
C13 C14 1.3900 . ?
N4 C15 1.3900 . ?
N4 C19 1.3900 . ?
C15 C16 1.3900 . ?
C16 C17 1.3900 . ?
C17 C18 1.3900 . ?
C18 C19 1.3900 . ?
C19 C20 1.563(18) . ?
N6 C24 1.3900 . ?
N6 C28 1.3900 . ?
C24 C25 1.3900 . ?
C24 C23 1.514(18) . ?
C25 C26 1.3900 . ?
C26 C27 1.3900 . ?
C27 C28 1.3900 . ?
C29 C30 1.52(4) . ?
C31 C32 1.52(4) . ?
C20 C21 1.538(14) . ?
C6 N2 1.643(19) . ?
N5 C21 1.557(19) . ?
N5 C23 1.601(19) . ?
N5 C22 1.70(5) . ?
C9 C8 1.631(19) . ?
C7 N2 1.52(4) . ?
N2 C8 1.543(19) . ?
