#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:46:24 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179814 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/10/7011092.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_7011092
loop_
_publ_author_name
'Jin-Kui Tang'
'Li-Ya Wang'
'Lei Zhang'
'En-Qing Gao'
'Dai-Zheng Liao'
'Zong-Hui Jiang'
'Shi-Ping Yan'
'Peng Cheng'
_publ_section_title
;
 Heterobinuclear copper(II)--manganese(II) complexes behaving as
 three-dimensional supramolecular networks via both macrocyclic
 oxamido-bridges and hydrogen bonds
;
_journal_issue                   8
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              1607
_journal_page_last               1612
_journal_paper_doi               10.1039/b107418k
_journal_year                    2002
_chemical_formula_sum            'C34 H41 Cl2 Cu Mn N11 O11'
_chemical_formula_weight         969.21
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                113.477(2)
_cell_angle_beta                 97.085(2)
_cell_angle_gamma                98.055(3)
_cell_formula_units_Z            2
_cell_length_a                   9.7676(11)
_cell_length_b                   15.3391(18)
_cell_length_c                   16.1155(19)
_cell_measurement_temperature    293(2)
_cell_volume                     2149.7(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0358
_diffrn_reflns_av_sigmaI/netI    0.1053
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8779
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    0.980
_exptl_absorpt_correction_T_max  0.8281
_exptl_absorpt_correction_T_min  0.7576
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             953
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.739
_refine_diff_density_min         -0.302
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     569
_refine_ls_number_reflns         7386
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.1530
_refine_ls_R_factor_gt           0.0676
_refine_ls_shift/su_max          0.246
_refine_ls_shift/su_mean         0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0800P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1435
_refine_ls_wR_factor_ref         0.1770
_reflns_number_gt                3679
_reflns_number_total             7386
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b107418k.txt
_cod_data_source_block           001022d
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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      P-1
_cod_database_code               7011092
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Cu1 Cu 1.07188(9) 0.75333(6) 0.27111(5) 0.0633(3) Uani 1 1 d . . .
Mn1 Mn 0.96752(9) 0.73412(6) -0.07877(6) 0.0431(3) Uani 1 1 d . . .
O1 O 0.9141(4) 0.6623(3) 0.0038(3) 0.0533(10) Uani 1 1 d . . .
O2 O 1.1035(4) 0.8303(3) 0.0650(3) 0.0496(10) Uani 1 1 d . . .
N1 N 1.1560(5) 0.8232(3) 0.2060(3) 0.0562(13) Uani 1 1 d . . .
N2 N 0.9502(5) 0.6731(4) 0.1518(4) 0.0622(15) Uani 1 1 d . . .
N3 N 0.9691(7) 0.6938(5) 0.3417(4) 0.0831(18) Uani 1 1 d . . .
N4 N 1.2239(7) 0.8144(5) 0.3834(4) 0.089(2) Uani 1 1 d . . .
N5 N 0.9601(5) 0.7776(4) -0.2186(3) 0.0523(12) Uani 1 1 d . . .
N6 N 1.1630(5) 0.7156(3) -0.1273(3) 0.0498(12) Uani 1 1 d . . .
N7 N 1.3129(6) 0.7132(4) -0.2193(4) 0.0653(15) Uani 1 1 d . . .
H7A H 1.3473 0.7185 -0.2640 0.078 Uiso 1 1 calc R . .
N8 N 0.8299(5) 0.6118(3) -0.2015(3) 0.0453(11) Uani 1 1 d . . .
N9 N 0.6823(5) 0.5541(4) -0.3366(3) 0.0615(14) Uani 1 1 d . . .
H9A H 0.6399 0.5520 -0.3876 0.074 Uiso 1 1 calc R . .
N10 N 0.8572(5) 0.8531(3) -0.0588(3) 0.0464(12) Uani 1 1 d . . .
N11 N 0.8188(5) 0.9840(3) -0.0775(3) 0.0538(13) Uani 1 1 d . . .
H11A H 0.8201 1.0268 -0.0994 0.065 Uiso 1 1 calc R . .
C1 C 0.9744(6) 0.7018(4) 0.0896(4) 0.0473(14) Uani 1 1 d . . .
C2 C 1.0859(6) 0.7934(4) 0.1220(4) 0.0437(14) Uani 1 1 d . . .
C3 C 1.2636(7) 0.9128(5) 0.2456(5) 0.072(2) Uani 1 1 d . . .
H3A H 1.2181 0.9680 0.2646 0.086 Uiso 1 1 calc R . .
H3B H 1.3155 0.9156 0.1988 0.086 Uiso 1 1 calc R . .
C4 C 1.3662(9) 0.9196(6) 0.3284(6) 0.096(3) Uani 1 1 d . . .
H4A H 1.4185 0.8682 0.3068 0.115 Uiso 1 1 calc R . .
H4B H 1.4336 0.9809 0.3525 0.115 Uiso 1 1 calc R . .
C5 C 1.3038(9) 0.9127(6) 0.4062(5) 0.095(3) Uani 1 1 d . . .
H5A H 1.3790 0.9315 0.4592 0.114 Uiso 1 1 calc R . .
H5B H 1.2415 0.9582 0.4233 0.114 Uiso 1 1 calc R . .
C6 C 1.1629(10) 0.8062(8) 0.4599(5) 0.108(3) Uani 1 1 d . . .
H6A H 1.2372 0.8144 0.5099 0.130 Uiso 1 1 calc R . .
H6B H 1.1083 0.8558 0.4833 0.130 Uiso 1 1 calc R . .
C7 C 1.0726(10) 0.7098(7) 0.4236(6) 0.104(3) Uani 1 1 d . . .
H7B H 1.0237 0.7039 0.4706 0.125 Uiso 1 1 calc R . .
H7C H 1.1298 0.6609 0.4072 0.125 Uiso 1 1 calc R . .
C8 C 0.8845(10) 0.5932(7) 0.2867(6) 0.098(3) Uani 1 1 d . . .
H8A H 0.9482 0.5496 0.2650 0.117 Uiso 1 1 calc R . .
H8B H 0.8342 0.5732 0.3265 0.117 Uiso 1 1 calc R . .
C9 C 0.7832(9) 0.5833(6) 0.2076(6) 0.092(3) Uani 1 1 d . . .
H9B H 0.7336 0.6364 0.2277 0.110 Uiso 1 1 calc R . .
H9C H 0.7142 0.5234 0.1877 0.110 Uiso 1 1 calc R . .
C10 C 0.8429(8) 0.5827(5) 0.1249(5) 0.080(2) Uani 1 1 d . . .
H10A H 0.8858 0.5267 0.1002 0.097 Uiso 1 1 calc R . .
H10B H 0.7673 0.5776 0.0770 0.097 Uiso 1 1 calc R . .
C11 C 1.0817(7) 0.7504(5) -0.2611(4) 0.0635(18) Uani 1 1 d . . .
H11B H 1.1282 0.8038 -0.2722 0.076 Uiso 1 1 calc R . .
H11C H 1.0488 0.6946 -0.3202 0.076 Uiso 1 1 calc R . .
C12 C 1.1846(6) 0.7267(4) -0.2017(4) 0.0521(15) Uani 1 1 d . . .
C13 C 1.2847(6) 0.6918(4) -0.0958(4) 0.0506(15) Uani 1 1 d . . .
C14 C 1.3205(6) 0.6713(5) -0.0205(4) 0.0614(17) Uani 1 1 d . . .
H14A H 1.2588 0.6735 0.0195 0.074 Uiso 1 1 calc R . .
C15 C 1.4508(7) 0.6474(5) -0.0064(5) 0.073(2) Uani 1 1 d . . .
H15A H 1.4763 0.6325 0.0432 0.087 Uiso 1 1 calc R . .
C16 C 1.5412(7) 0.6455(5) -0.0645(6) 0.078(2) Uani 1 1 d . . .
H16A H 1.6276 0.6290 -0.0537 0.094 Uiso 1 1 calc R . .
C17 C 1.5101(7) 0.6667(5) -0.1372(6) 0.077(2) Uani 1 1 d . . .
H17A H 1.5744 0.6661 -0.1753 0.092 Uiso 1 1 calc R . .
C18 C 1.3790(7) 0.6895(4) -0.1540(5) 0.0582(16) Uani 1 1 d . . .
C19 C 0.8250(7) 0.7215(4) -0.2807(4) 0.0569(16) Uani 1 1 d . . .
H19A H 0.8331 0.7086 -0.3438 0.068 Uiso 1 1 calc R . .
H19B H 0.7527 0.7593 -0.2649 0.068 Uiso 1 1 calc R . .
C20 C 0.7824(6) 0.6265(4) -0.2738(4) 0.0516(15) Uani 1 1 d . . .
C21 C 0.7516(7) 0.5180(4) -0.2210(4) 0.0536(16) Uani 1 1 d . . .
C22 C 0.7567(7) 0.4628(5) -0.1704(4) 0.0603(17) Uani 1 1 d . . .
H22A H 0.8205 0.4843 -0.1150 0.072 Uiso 1 1 calc R . .
C23 C 0.6626(8) 0.3750(5) -0.2063(5) 0.0687(19) Uani 1 1 d . . .
H23A H 0.6637 0.3364 -0.1740 0.082 Uiso 1 1 calc R . .
C24 C 0.5670(8) 0.3420(5) -0.2879(6) 0.081(2) Uani 1 1 d . . .
H24A H 0.5033 0.2833 -0.3080 0.097 Uiso 1 1 calc R . .
C25 C 0.5638(8) 0.3938(5) -0.3402(5) 0.075(2) Uani 1 1 d . . .
H25A H 0.5014 0.3705 -0.3965 0.090 Uiso 1 1 calc R . .
C26 C 0.6588(7) 0.4833(5) -0.3052(4) 0.0595(17) Uani 1 1 d . . .
C27 C 0.9600(6) 0.8822(4) -0.1812(4) 0.0522(15) Uani 1 1 d . . .
H27A H 1.0559 0.9197 -0.1574 0.063 Uiso 1 1 calc R . .
H27B H 0.9171 0.8983 -0.2293 0.063 Uiso 1 1 calc R . .
C28 C 0.8795(6) 0.9049(4) -0.1070(4) 0.0453(14) Uani 1 1 d . . .
C29 C 0.7788(6) 0.9005(4) 0.0051(4) 0.0476(14) Uani 1 1 d . . .
C30 C 0.7323(7) 0.8799(5) 0.0741(5) 0.0611(17) Uani 1 1 d . . .
H30A H 0.7518 0.8267 0.0837 0.073 Uiso 1 1 calc R . .
C31 C 0.6564(7) 0.9409(5) 0.1281(5) 0.073(2) Uani 1 1 d . . .
H31A H 0.6244 0.9283 0.1750 0.088 Uiso 1 1 calc R . .
C32 C 0.6256(7) 1.0209(6) 0.1147(6) 0.082(2) Uani 1 1 d . . .
H32A H 0.5707 1.0589 0.1512 0.098 Uiso 1 1 calc R . .
C33 C 0.6750(7) 1.0451(5) 0.0482(5) 0.0631(17) Uani 1 1 d . . .
H33A H 0.6568 1.0991 0.0395 0.076 Uiso 1 1 calc R . .
C34 C 0.7543(6) 0.9830(4) -0.0055(4) 0.0528(15) Uani 1 1 d . . .
Cl1 Cl 0.4984(4) 0.7943(3) 0.6272(3) 0.0708(10) Uani 0.50 1 d PD . .
O11 O 0.5063(15) 0.8115(10) 0.5490(7) 0.120(4) Uiso 0.50 1 d PD . .
O12 O 0.3716(14) 0.8228(13) 0.6496(14) 0.195(7) Uiso 0.50 1 d PD . .
O13 O 0.4767(13) 0.7084(7) 0.6368(9) 0.114(4) Uiso 0.50 1 d PD . .
O14 O 0.5905(11) 0.8599(8) 0.7083(7) 0.117(4) Uiso 0.50 1 d PD . .
Cl2 Cl 0.7318(11) 0.8110(5) 0.5245(5) 0.129(3) Uani 0.35 1 d PD . .
O21 O 0.614(3) 0.821(2) 0.568(2) 0.233(15) Uiso 0.35 1 d PD . .
O22 O 0.749(2) 0.7141(9) 0.4932(15) 0.148(7) Uiso 0.35 1 d PD . .
O23 O 0.8492(16) 0.8678(13) 0.5944(11) 0.136(7) Uiso 0.35 1 d PD . .
O24 O 0.745(3) 0.830(2) 0.4473(14) 0.193(10) Uiso 0.35 1 d PD . .
Cl3 Cl 0.8020(16) 0.8957(11) 0.3510(11) 0.085(5) Uani 0.15 1 d PD . .
O31 O 0.747(5) 0.979(2) 0.365(4) 0.183 Uiso 0.15 1 d PD . .
O32 O 0.9449(17) 0.8935(18) 0.3473(17) 0.046(7) Uiso 0.15 1 d PD . .
O33 O 0.732(5) 0.831(3) 0.2602(19) 0.22(3) Uiso 0.15 1 d PD . .
O34 O 0.754(6) 0.849(4) 0.404(3) 0.194 Uiso 0.15 1 d PD . .
Cl4 Cl 0.0723(10) 0.5054(7) 0.5070(7) 0.177(6) Uani 0.50 1 d PD . .
O41 O 0.122(2) 0.4209(9) 0.4924(11) 0.166(7) Uani 0.50 1 d PD . .
O42 O 0.160(2) 0.5965(10) 0.5397(12) 0.191(8) Uani 0.50 1 d PD . .
O43 O 0.0057(14) 0.4832(7) 0.4189(7) 0.223(5) Uani 1 1 d D . .
O3 O 0.3833(17) 0.5048(9) 0.5335(8) 0.138(5) Uani 0.50 1 d P . .
O4 O 0.8789(18) 0.9459(15) 0.3509(10) 0.147(7) Uani 0.50 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 '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'
O O 0.0106 0.0060 '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'
C C 0.0033 0.0016 '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'
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
N2 Cu1 N1 84.1(2) . . ?
N2 Cu1 N4 167.2(3) . . ?
N1 Cu1 N4 95.6(2) . . ?
N2 Cu1 N3 96.1(2) . . ?
N1 Cu1 N3 172.6(2) . . ?
N4 Cu1 N3 85.9(3) . . ?
O1 Mn1 N6 116.14(17) . . ?
O1 Mn1 N10 111.46(17) . . ?
N6 Mn1 N10 128.38(17) . . ?
O1 Mn1 N8 89.87(16) . . ?
N6 Mn1 N8 96.10(17) . . ?
N10 Mn1 N8 102.92(17) . . ?
O1 Mn1 O2 75.09(14) . . ?
N6 Mn1 O2 86.92(16) . . ?
N10 Mn1 O2 86.91(16) . . ?
N8 Mn1 O2 164.35(15) . . ?
C1 O1 Mn1 118.2(3) . . ?
C2 O2 Mn1 111.8(3) . . ?
C2 N1 C3 119.1(5) . . ?
C2 N1 Cu1 112.2(4) . . ?
C3 N1 Cu1 127.4(4) . . ?
C1 N2 C10 118.5(5) . . ?
C1 N2 Cu1 113.1(4) . . ?
C10 N2 Cu1 128.3(4) . . ?
C7 N3 C8 117.0(6) . . ?
C7 N3 Cu1 106.1(5) . . ?
C8 N3 Cu1 115.7(4) . . ?
C5 N4 C6 113.7(6) . . ?
C5 N4 Cu1 117.5(4) . . ?
C6 N4 Cu1 107.3(5) . . ?
C19 N5 C11 112.4(5) . . ?
C19 N5 C27 110.1(5) . . ?
C11 N5 C27 114.6(5) . . ?
C12 N6 C13 105.4(5) . . ?
C12 N6 Mn1 121.3(4) . . ?
C13 N6 Mn1 133.3(4) . . ?
C12 N7 C18 108.3(5) . . ?
C20 N8 C21 103.6(5) . . ?
C20 N8 Mn1 119.3(4) . . ?
C21 N8 Mn1 136.0(4) . . ?
C20 N9 C26 107.6(5) . . ?
C28 N10 C29 106.7(5) . . ?
C28 N10 Mn1 118.4(4) . . ?
C29 N10 Mn1 134.2(4) . . ?
C28 N11 C34 107.7(5) . . ?
N2 C1 O1 127.6(5) . . ?
N2 C1 C2 115.4(5) . . ?
O1 C1 C2 116.9(5) . . ?
O2 C2 N1 128.0(5) . . ?
O2 C2 C1 117.7(5) . . ?
N1 C2 C1 114.3(5) . . ?
N1 C3 C4 111.9(5) . . ?
C5 C4 C3 116.7(7) . . ?
N4 C5 C4 113.1(6) . . ?
C7 C6 N4 107.3(7) . . ?
C6 C7 N3 110.1(7) . . ?
C9 C8 N3 113.8(7) . . ?
C8 C9 C10 116.3(7) . . ?
N2 C10 C9 110.4(6) . . ?
N5 C11 C12 111.9(5) . . ?
N6 C12 N7 111.9(6) . . ?
N6 C12 C11 125.3(5) . . ?
N7 C12 C11 122.9(6) . . ?
C14 C13 C18 119.9(6) . . ?
C14 C13 N6 130.8(6) . . ?
C18 C13 N6 109.3(6) . . ?
C13 C14 C15 118.4(6) . . ?
C16 C15 C14 120.5(7) . . ?
C17 C16 C15 122.3(7) . . ?
C16 C17 C18 118.5(7) . . ?
N7 C18 C13 105.1(5) . . ?
N7 C18 C17 134.5(7) . . ?
C13 C18 C17 120.4(7) . . ?
N5 C19 C20 111.1(5) . . ?
N8 C20 N9 114.2(5) . . ?
N8 C20 C19 123.2(5) . . ?
N9 C20 C19 122.3(5) . . ?
C26 C21 C22 120.8(6) . . ?
C26 C21 N8 108.8(5) . . ?
C22 C21 N8 130.4(5) . . ?
C23 C22 C21 116.8(6) . . ?
C24 C23 C22 122.6(7) . . ?
C25 C24 C23 121.4(7) . . ?
C24 C25 C26 116.9(7) . . ?
N9 C26 C21 105.7(5) . . ?
N9 C26 C25 132.8(6) . . ?
C21 C26 C25 121.4(6) . . ?
C28 C27 N5 108.1(5) . . ?
N10 C28 N11 110.9(5) . . ?
N10 C28 C27 125.3(5) . . ?
N11 C28 C27 123.8(5) . . ?
C30 C29 N10 130.5(5) . . ?
C30 C29 C34 120.3(6) . . ?
N10 C29 C34 109.1(5) . . ?
C31 C30 C29 117.7(6) . . ?
C30 C31 C32 122.1(7) . . ?
C33 C32 C31 121.4(7) . . ?
C32 C33 C34 115.9(6) . . ?
N11 C34 C29 105.6(5) . . ?
N11 C34 C33 131.8(6) . . ?
C29 C34 C33 122.5(6) . . ?
O13 Cl1 O14 104.3(8) . . ?
O13 Cl1 O11 130.6(8) . . ?
O14 Cl1 O11 116.3(8) . . ?
O13 Cl1 O12 98.2(9) . . ?
O14 Cl1 O12 98.7(10) . . ?
O11 Cl1 O12 102.0(10) . . ?
O13 Cl1 O21 123.5(12) . . ?
O14 Cl1 O21 88.3(14) . . ?
O11 Cl1 O21 38.2(12) . . ?
O12 Cl1 O21 134.6(14) . . ?
O21 O11 Cl1 85.5(18) . . ?
O23 Cl2 O24 108.0(15) . . ?
O23 Cl2 O22 106.5(13) . . ?
O24 Cl2 O22 101.9(15) . . ?
O23 Cl2 O21 105.4(17) . . ?
O24 Cl2 O21 124.9(19) . . ?
O22 Cl2 O21 109.0(16) . . ?
O11 O21 Cl2 137(3) . . ?
O11 O21 Cl1 56.3(10) . . ?
Cl2 O21 Cl1 156(3) . . ?
O34 O24 Cl2 173(6) . . ?
O4 Cl3 O31 73(2) . . ?
O4 Cl3 O34 143(3) . . ?
O31 Cl3 O34 112(3) . . ?
O4 Cl3 O32 50.2(14) . . ?
O31 Cl3 O32 123(2) . . ?
O34 Cl3 O32 111(2) . . ?
O4 Cl3 O33 111(3) . . ?
O31 Cl3 O33 102(3) . . ?
O34 Cl3 O33 103(3) . . ?
O32 Cl3 O33 103(2) . . ?
Cl3 O31 O4 40.8(10) . . ?
O4 O32 Cl3 44.9(10) . . ?
O24 O34 Cl3 164(7) . . ?
O43 Cl4 Cl4 64.1(9) . 2_566 ?
O43 Cl4 O41 100.0(11) . . ?
Cl4 Cl4 O41 115.4(13) 2_566 . ?
O43 Cl4 O42 107.0(11) . . ?
Cl4 Cl4 O42 120.9(15) 2_566 . ?
O41 Cl4 O42 123.6(14) . . ?
O43 Cl4 O43 121.9(10) . 2_566 ?
Cl4 Cl4 O43 57.7(6) 2_566 2_566 ?
O41 Cl4 O43 103.9(10) . 2_566 ?
O42 Cl4 O43 102.1(11) . 2_566 ?
Cl4 O43 Cl4 58.1(10) . 2_566 ?
Cl3 O4 O32 84.9(18) . . ?
Cl3 O4 O31 66.4(17) . . ?
O32 O4 O31 151(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
Cu1 N2 1.941(5) . ?
Cu1 N1 1.946(5) . ?
Cu1 N4 1.988(6) . ?
Cu1 N3 1.997(6) . ?
Mn1 O1 2.106(4) . ?
Mn1 N6 2.163(5) . ?
Mn1 N10 2.183(5) . ?
Mn1 N8 2.217(5) . ?
Mn1 O2 2.297(4) . ?
O1 C1 1.288(6) . ?
O2 C2 1.272(6) . ?
N1 C2 1.305(7) . ?
N1 C3 1.460(7) . ?
N2 C1 1.278(7) . ?
N2 C10 1.486(8) . ?
N3 C7 1.473(9) . ?
N3 C8 1.490(10) . ?
N4 C5 1.475(9) . ?
N4 C6 1.476(9) . ?
N5 C19 1.467(7) . ?
N5 C11 1.471(7) . ?
N5 C27 1.472(7) . ?
N6 C12 1.314(7) . ?
N6 C13 1.387(7) . ?
N7 C12 1.344(7) . ?
N7 C18 1.363(8) . ?
N8 C20 1.315(7) . ?
N8 C21 1.424(7) . ?
N9 C20 1.331(7) . ?
N9 C26 1.372(8) . ?
N10 C28 1.329(7) . ?
N10 C29 1.390(7) . ?
N11 C28 1.365(7) . ?
N11 C34 1.391(8) . ?
C1 C2 1.510(8) . ?
C3 C4 1.526(9) . ?
C4 C5 1.493(11) . ?
C6 C7 1.457(11) . ?
C8 C9 1.455(10) . ?
C9 C10 1.517(9) . ?
C11 C12 1.484(9) . ?
C13 C14 1.387(8) . ?
C13 C18 1.388(8) . ?
C14 C15 1.390(9) . ?
C15 C16 1.360(10) . ?
C16 C17 1.347(10) . ?
C17 C18 1.397(9) . ?
C19 C20 1.510(8) . ?
C21 C26 1.390(8) . ?
C21 C22 1.391(8) . ?
C22 C23 1.377(8) . ?
C23 C24 1.376(10) . ?
C24 C25 1.370(10) . ?
C25 C26 1.400(9) . ?
C27 C28 1.464(8) . ?
C29 C30 1.381(8) . ?
C29 C34 1.391(8) . ?
C30 C31 1.373(9) . ?
C31 C32 1.395(10) . ?
C32 C33 1.383(10) . ?
C33 C34 1.403(9) . ?
Cl1 O13 1.378(8) . ?
Cl1 O14 1.392(8) . ?
Cl1 O11 1.394(8) . ?
Cl1 O12 1.411(9) . ?
Cl1 O21 1.67(2) . ?
O11 O21 1.04(3) . ?
Cl2 O23 1.401(9) . ?
Cl2 O24 1.402(10) . ?
Cl2 O22 1.410(9) . ?
Cl2 O21 1.414(10) . ?
O24 O34 0.86(3) . ?
Cl3 O4 0.998(18) . ?
Cl3 O31 1.400(10) . ?
Cl3 O34 1.403(10) . ?
Cl3 O32 1.408(10) . ?
Cl3 O33 1.415(10) . ?
O31 O4 1.46(4) . ?
O32 O4 1.09(2) . ?
Cl4 O43 1.372(9) . ?
Cl4 Cl4 1.38(2) 2_566 ?
Cl4 O41 1.388(9) . ?
Cl4 O42 1.388(9) . ?
Cl4 O43 1.460(14) 2_566 ?
O43 Cl4 1.460(14) 2_566 ?
