#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/64/7036430.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_7036430
loop_
_publ_author_name
'Qin, Jian-Hua'
'Wang, Hua-Rui'
'Pan, Qi'
'Zang, Shuang-Quan'
'Hou, Hongwei'
'Fan, Yaoting'
_publ_section_title
;
 Influence of ionic liquids on the syntheses and structures of Mn(ii)
 coordination polymers based on multidentate N-heterocyclic aromatic
 ligands and bridging carboxylate ligands.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17639
_journal_page_last               17651
_journal_paper_doi               10.1039/c5dt03026a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C26 H21 Mn2 N11 O10'
_chemical_formula_weight         757.42
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-08-27 deposited with the CCDC.
2015-09-07 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 101.27(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.001(3)
_cell_length_b                   10.142(2)
_cell_length_c                   19.287(4)
_cell_measurement_reflns_used    8570
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8764
_cell_measurement_theta_min      1.8409
_cell_volume                     3069.6(11)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_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_detector_area_resol_mean none
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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  0.0340
_diffrn_reflns_av_sigmaI/netI    0.0370
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            16294
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.898
_exptl_absorpt_correction_T_max  0.8133
_exptl_absorpt_correction_T_min  0.7323
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.528
_refine_diff_density_min         -0.585
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     439
_refine_ls_number_reflns         5597
_refine_ls_number_restraints     96
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0594
_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)+(0.0798P)²+4.4999P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1487
_refine_ls_wR_factor_ref         0.1564
_reflns_number_gt                4996
_reflns_number_total             5597
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03026a2.cif
_cod_data_source_block           complex6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed to 'constr'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7036425--7036431.cif.
;
_cod_original_cell_volume        3069.5(11)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7036430
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'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
Mn1 Mn 0.29321(4) 0.96302(5) 0.46873(3) 0.02638(18) Uani 1 1 d .
Mn2 Mn 0.22380(4) 0.80526(5) 0.65689(3) 0.02926(19) Uani 1 1 d .
O1 O 0.3574(2) 0.8177(2) 0.53525(16) 0.0390(7) Uani 1 1 d .
O2 O 0.32177(19) 0.7014(3) 0.62310(15) 0.0380(7) Uani 1 1 d .
O3 O 0.3174(3) 0.2099(3) 0.61002(19) 0.0599(10) Uani 1 1 d .
O4 O 0.3682(2) 0.1142(3) 0.52275(17) 0.0425(7) Uani 1 1 d .
O5 O 0.4509(3) 0.3748(4) 0.3343(2) 0.0802(13) Uani 1 1 d .
H5 H 0.4620 0.3889 0.2952 0.120 Uiso 1 1 calc R
O6 O 0.4251(4) 0.5846(4) 0.3267(2) 0.107(2) Uani 1 1 d .
O7 O 0.3001(2) 0.9868(3) 0.69142(17) 0.0474(8) Uani 1 1 d .
H1W H 0.2807 1.0505 0.6643 0.071 Uiso 1 1 d R
H2W H 0.3338 0.9821 0.7313 0.071 Uiso 1 1 d R
O8 O 0.13765(16) 0.6415(2) 0.61163(14) 0.0569(9) Uani 1 1 d .
H3W H 0.1336 0.6272 0.5677 0.085 Uiso 1 1 d R
H4W H 0.1514 0.6008 0.6507 0.085 Uiso 1 1 d R
O9 O 0.05982(16) 0.6829(2) 0.46935(14) 0.0622(10) Uani 1 1 d RU
H5W H 0.1062 0.6586 0.4581 0.093 Uiso 1 1 d R
H6W H 0.0139 0.7133 0.4449 0.093 Uiso 1 1 d R
O10 O 0.1691(4) 0.3688(5) 0.6380(3) 0.1110(18) Uani 1 1 d U
H7W H 0.2085 0.3116 0.6417 0.166 Uiso 1 1 d R
H8W H 0.1351 0.3092 0.6185 0.166 Uiso 1 1 d R
N1 N 0.4801(3) 0.5576(6) 0.7842(2) 0.0756(16) Uani 1 1 d .
N2 N 0.3832(2) 0.5357(3) 0.88775(16) 0.0280(7) Uani 1 1 d .
N3 N 0.2369(2) 0.6721(3) 0.88134(17) 0.0299(7) Uani 1 1 d .
N4 N 0.16401(19) 0.7451(3) 0.86394(17) 0.0299(7) Uani 1 1 d .
N5 N 0.2290(2) 0.7409(3) 0.77004(17) 0.0327(7) Uani 1 1 d .
N6 N 0.1129(2) 0.9003(3) 0.69362(17) 0.0303(7) Uani 1 1 d .
N7 N 0.1579(2) 0.9382(3) 0.57165(17) 0.0327(7) Uani 1 1 d .
N8 N 0.1806(2) 0.9926(3) 0.51412(17) 0.0337(7) Uani 1 1 d .
N9 N 0.0747(2) 1.1155(4) 0.54123(19) 0.0441(9) Uani 1 1 d .
N10 N 0.2062(2) 1.1432(4) 0.40633(18) 0.0403(8) Uani 1 1 d U
N11 N 0.1139(5) 1.3702(7) 0.3658(4) 0.113(2) Uani 1 1 d U
C1 C 0.4581(2) 0.4749(4) 0.8935(2) 0.0351(9) Uani 1 1 d .
H1 H 0.4788 0.4253 0.9338 0.042 Uiso 1 1 calc R
C2 C 0.5054(3) 0.4834(6) 0.8419(3) 0.0585(14) Uani 1 1 d .
H2 H 0.5562 0.4366 0.8469 0.070 Uiso 1 1 calc R
C3 C 0.4045(3) 0.6175(7) 0.7777(3) 0.0671(17) Uani 1 1 d .
H3 H 0.3845 0.6683 0.7377 0.080 Uiso 1 1 calc R
C4 C 0.3557(2) 0.6057(4) 0.8286(2) 0.0351(9) Uani 1 1 d .
C5 C 0.2740(2) 0.6727(4) 0.8251(2) 0.0303(8) Uani 1 1 d .
C6 C 0.1615(2) 0.7834(4) 0.79747(19) 0.0272(8) Uani 1 1 d .
C7 C 0.0944(2) 0.8651(4) 0.7556(2) 0.0301(8) Uani 1 1 d .
C8 C 0.0198(3) 0.9072(4) 0.7761(2) 0.0375(9) Uani 1 1 d .
H8A H 0.0069 0.8812 0.8191 0.045 Uiso 1 1 calc R
C9 C -0.0341(3) 0.9885(5) 0.7305(3) 0.0472(11) Uani 1 1 d .
H9 H -0.0846 1.0172 0.7425 0.057 Uiso 1 1 calc R
C10 C -0.0139(3) 1.0278(5) 0.6671(3) 0.0465(11) Uani 1 1 d .
H10 H -0.0498 1.0839 0.6367 0.056 Uiso 1 1 calc R
C11 C 0.0609(2) 0.9817(4) 0.6499(2) 0.0336(9) Uani 1 1 d .
C12 C 0.0948(3) 1.0136(4) 0.5861(2) 0.0355(9) Uani 1 1 d .
C13 C 0.1306(3) 1.0979(4) 0.4976(2) 0.0386(10) Uani 1 1 d .
C14 C 0.1440(3) 1.1833(5) 0.4396(3) 0.0501(11) Uani 1 1 d U
C15 C 0.0992(5) 1.2958(7) 0.4189(4) 0.0915(19) Uani 1 1 d U
H15 H 0.0567 1.3213 0.4428 0.110 Uiso 1 1 calc R
C16 C 0.1740(5) 1.3279(7) 0.3318(4) 0.0922(19) Uani 1 1 d U
H16 H 0.1844 1.3753 0.2931 0.111 Uiso 1 1 calc R
C17 C 0.2206(4) 1.2167(5) 0.3526(3) 0.0570(12) Uani 1 1 d U
H17 H 0.2632 1.1918 0.3286 0.068 Uiso 1 1 calc R
C18 C 0.3462(2) 0.7103(3) 0.5651(2) 0.0274(8) Uani 1 1 d .
C19 C 0.3642(2) 0.5854(3) 0.5293(2) 0.0267(8) Uani 1 1 d .
C20 C 0.3522(3) 0.4636(3) 0.5597(2) 0.0294(8) Uani 1 1 d .
H20 H 0.3350 0.4604 0.6030 0.035 Uiso 1 1 calc R
C21 C 0.3659(3) 0.3471(4) 0.5256(2) 0.0323(8) Uani 1 1 d .
C22 C 0.3922(3) 0.3537(4) 0.4614(2) 0.0372(9) Uani 1 1 d .
H22 H 0.4025 0.2760 0.4388 0.045 Uiso 1 1 calc R
C23 C 0.4034(3) 0.4738(4) 0.4299(2) 0.0343(9) Uani 1 1 d .
C24 C 0.3895(2) 0.5902(4) 0.4648(2) 0.0318(8) Uani 1 1 d .
H24 H 0.3975 0.6713 0.4446 0.038 Uiso 1 1 calc R
C25 C 0.3490(3) 0.2142(4) 0.5563(2) 0.0399(10) Uani 1 1 d .
C26 C 0.4264(3) 0.4825(5) 0.3592(3) 0.0485(11) 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'
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
O1 Mn1 O4 92.62(12) . 1_565
O1 Mn1 N8 101.38(12) . .
O4 Mn1 N8 97.92(13) 1_565 .
O1 Mn1 N3 96.24(12) . 4_575
O4 Mn1 N3 159.52(12) 1_565 4_575
N8 Mn1 N3 98.37(13) . 4_575
O1 Mn1 N2 97.01(12) . 4_575
O4 Mn1 N2 87.73(12) 1_565 4_575
N8 Mn1 N2 160.45(12) . 4_575
N3 Mn1 N2 72.91(11) 4_575 4_575
O1 Mn1 N10 170.74(12) . .
O4 Mn1 N10 85.08(13) 1_565 .
N8 Mn1 N10 70.15(12) . .
N3 Mn1 N10 88.86(12) 4_575 .
N2 Mn1 N10 91.87(11) 4_575 .
O2 Mn2 O8 86.94(11) . .
O2 Mn2 N7 110.50(12) . .
O8 Mn2 N7 89.68(12) . .
O2 Mn2 O7 96.23(12) . .
O8 Mn2 O7 172.40(11) . .
N7 Mn2 O7 82.74(13) . .
O2 Mn2 N6 175.13(12) . .
O8 Mn2 N6 88.68(11) . .
N7 Mn2 N6 71.59(11) . .
O7 Mn2 N6 88.38(12) . .
O2 Mn2 N5 105.44(12) . .
O8 Mn2 N5 93.79(11) . .
N7 Mn2 N5 144.02(12) . .
O7 Mn2 N5 92.02(12) . .
N6 Mn2 N5 72.71(12) . .
C18 O1 Mn1 142.5(3) . .
C18 O2 Mn2 128.4(2) . .
C25 O4 Mn1 131.7(3) . 1_545
C26 O5 H5 109.5 . .
Mn2 O7 H1W 109.3 . .
Mn2 O7 H2W 115.9 . .
H1W O7 H2W 133.6 . .
Mn2 O8 H3W 116.1 . .
Mn2 O8 H4W 88.9 . .
H3W O8 H4W 139.3 . .
H5W O9 H6W 131.9 . .
H7W O10 H8W 87.3 . .
C3 N1 C2 117.1(4) . .
C1 N2 C4 117.1(3) . .
C1 N2 Mn1 127.7(3) . 4_576
C4 N2 Mn1 115.2(2) . 4_576
C5 N3 N4 107.0(3) . .
C5 N3 Mn1 116.1(2) . 4_576
N4 N3 Mn1 136.1(2) . 4_576
C6 N4 N3 105.0(3) . .
C5 N5 C6 101.4(3) . .
C5 N5 Mn2 145.0(3) . .
C6 N5 Mn2 113.6(2) . .
C7 N6 C11 120.5(3) . .
C7 N6 Mn2 119.5(2) . .
C11 N6 Mn2 119.6(2) . .
C12 N7 N8 105.8(3) . .
C12 N7 Mn2 117.4(3) . .
N8 N7 Mn2 133.5(2) . .
C13 N8 N7 106.1(3) . .
C13 N8 Mn1 121.3(3) . .
N7 N8 Mn1 130.7(2) . .
C12 N9 C13 101.2(3) . .
C17 N10 C14 117.2(4) . .
C17 N10 Mn1 128.9(3) . .
C14 N10 Mn1 113.0(3) . .
C15 N11 C16 116.6(5) . .
N2 C1 C2 121.8(4) . .
N2 C1 H1 119.1 . .
C2 C1 H1 119.1 . .
N1 C2 C1 121.4(4) . .
N1 C2 H2 119.3 . .
C1 C2 H2 119.3 . .
N1 C3 C4 121.5(5) . .
N1 C3 H3 119.2 . .
C4 C3 H3 119.2 . .
N2 C4 C3 121.0(4) . .
N2 C4 C5 115.2(3) . .
C3 C4 C5 123.7(4) . .
N3 C5 N5 112.8(3) . .
N3 C5 C4 119.7(3) . .
N5 C5 C4 127.4(3) . .
N4 C6 N5 113.8(3) . .
N4 C6 C7 125.2(3) . .
N5 C6 C7 121.0(3) . .
N6 C7 C8 121.5(4) . .
N6 C7 C6 112.2(3) . .
C8 C7 C6 126.2(4) . .
C9 C8 C7 117.7(4) . .
C9 C8 H8A 121.1 . .
C7 C8 H8A 121.1 . .
C8 C9 C10 120.7(4) . .
C8 C9 H9 119.6 . .
C10 C9 H9 119.6 . .
C9 C10 C11 118.5(4) . .
C9 C10 H10 120.8 . .
C11 C10 H10 120.8 . .
N6 C11 C10 121.0(4) . .
N6 C11 C12 112.0(3) . .
C10 C11 C12 127.0(4) . .
N7 C12 N9 113.6(3) . .
N7 C12 C11 117.6(3) . .
N9 C12 C11 128.7(3) . .
N8 C13 N9 113.2(3) . .
N8 C13 C14 119.1(4) . .
N9 C13 C14 127.6(4) . .
N10 C14 C15 120.5(5) . .
N10 C14 C13 114.6(4) . .
C15 C14 C13 124.9(4) . .
N11 C15 C14 122.5(6) . .
N11 C15 H15 118.7 . .
C14 C15 H15 118.7 . .
N11 C16 C17 121.7(5) . .
N11 C16 H16 119.2 . .
C17 C16 H16 119.2 . .
N10 C17 C16 121.4(5) . .
N10 C17 H17 119.3 . .
C16 C17 H17 119.3 . .
O2 C18 O1 124.3(3) . .
O2 C18 C19 118.0(3) . .
O1 C18 C19 117.6(3) . .
C24 C19 C20 119.8(3) . .
C24 C19 C18 120.1(3) . .
C20 C19 C18 120.1(3) . .
C21 C20 C19 120.4(3) . .
C21 C20 H20 119.8 . .
C19 C20 H20 119.8 . .
C22 C21 C20 119.0(3) . .
C22 C21 C25 120.0(3) . .
C20 C21 C25 120.9(4) . .
C21 C22 C23 121.4(3) . .
C21 C22 H22 119.3 . .
C23 C22 H22 119.3 . .
C22 C23 C24 119.0(4) . .
C22 C23 C26 122.0(4) . .
C24 C23 C26 118.9(4) . .
C19 C24 C23 120.3(3) . .
C19 C24 H24 119.8 . .
C23 C24 H24 119.8 . .
O3 C25 O4 125.1(4) . .
O3 C25 C21 119.4(3) . .
O4 C25 C21 115.5(4) . .
O6 C26 O5 120.6(4) . .
O6 C26 C23 123.1(4) . .
O5 C26 C23 116.3(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 2.087(3) .
Mn1 O4 2.094(3) 1_565
Mn1 N8 2.172(3) .
Mn1 N3 2.222(3) 4_575
Mn1 N2 2.322(3) 4_575
Mn1 N10 2.464(4) .
Mn2 O2 2.095(3) .
Mn2 O8 2.225(3) .
Mn2 N7 2.226(3) .
Mn2 O7 2.237(3) .
Mn2 N6 2.253(3) .
Mn2 N5 2.264(3) .
O1 C18 1.261(4) .
O2 C18 1.259(5) .
O3 C25 1.239(6) .
O4 C25 1.273(5) .
O4 Mn1 2.094(3) 1_545
O5 C26 1.285(6) .
O5 H5 0.8200 .
O6 C26 1.209(6) .
O7 H1W 0.8500 .
O7 H2W 0.8499 .
O8 H3W 0.8500 .
O8 H4W 0.8500 .
O9 H5W 0.8501 .
O9 H6W 0.8500 .
O10 H7W 0.8500 .
O10 H8W 0.8499 .
N1 C3 1.337(6) .
N1 C2 1.338(7) .
N2 C1 1.334(5) .
N2 C4 1.343(5) .
N2 Mn1 2.322(3) 4_576
N3 C5 1.334(5) .
N3 N4 1.366(4) .
N3 Mn1 2.222(3) 4_576
N4 C6 1.333(5) .
N5 C5 1.351(5) .
N5 C6 1.362(5) .
N6 C7 1.335(5) .
N6 C11 1.345(5) .
N7 C12 1.338(5) .
N7 N8 1.352(4) .
N8 C13 1.335(5) .
N9 C12 1.345(5) .
N9 C13 1.355(5) .
N10 C17 1.333(6) .
N10 C14 1.348(6) .
N11 C15 1.330(8) .
N11 C16 1.334(9) .
C1 C2 1.365(6) .
C1 H1 0.9300 .
C2 H2 0.9300 .
C3 C4 1.374(6) .
C3 H3 0.9300 .
C4 C5 1.463(5) .
C6 C7 1.466(5) .
C7 C8 1.395(5) .
C8 C9 1.380(6) .
C8 H8A 0.9300 .
C9 C10 1.383(6) .
C9 H9 0.9300 .
C10 C11 1.385(6) .
C10 H10 0.9300 .
C11 C12 1.475(6) .
C13 C14 1.463(6) .
C14 C15 1.364(7) .
C15 H15 0.9300 .
C16 C17 1.368(8) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.497(5) .
C19 C24 1.382(5) .
C19 C20 1.396(5) .
C20 C21 1.390(5) .
C20 H20 0.9300 .
C21 C22 1.385(6) .
C21 C25 1.517(5) .
C22 C23 1.388(6) .
C22 H22 0.9300 .
C23 C24 1.397(5) .
C23 C26 1.482(6) .
C24 H24 0.9300 .
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
O5 H5 N1 0.82 2.01 2.811(6) 163.9 3_666
O7 H1W O3 0.85 2.07 2.799(4) 143.0 1_565
O7 H2W O6 0.85 2.22 3.049(7) 164.9 4_576
O8 H3W O9 0.85 2.11 2.815 140.6 .
O8 H4W O10 0.85 2.39 2.839(6) 113.7 .
O9 H5W N4 0.85 2.40 2.961(4) 124.0 4_575
O9 H6W N9 0.85 2.29 2.947(4) 134.3 3_576
O10 H7W O3 0.85 2.21 3.003(7) 155.1 .
O10 H8W N9 0.85 2.54 3.356(7) 161.2 1_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
O4 Mn1 O1 C18 143.4(4) 1_565
N8 Mn1 O1 C18 44.7(4) .
N3 Mn1 O1 C18 -55.1(4) 4_575
N2 Mn1 O1 C18 -128.6(4) 4_575
N10 Mn1 O1 C18 68.0(9) .
O8 Mn2 O2 C18 91.1(3) .
N7 Mn2 O2 C18 2.5(4) .
O7 Mn2 O2 C18 -82.0(3) .
N6 Mn2 O2 C18 117.1(13) .
N5 Mn2 O2 C18 -175.8(3) .
C5 N3 N4 C6 0.9(4) .
Mn1 N3 N4 C6 -167.9(3) 4_576
O2 Mn2 N5 C5 8.8(5) .
O8 Mn2 N5 C5 96.6(5) .
N7 Mn2 N5 C5 -168.7(4) .
O7 Mn2 N5 C5 -88.3(5) .
N6 Mn2 N5 C5 -175.9(5) .
O2 Mn2 N5 C6 -170.6(3) .
O8 Mn2 N5 C6 -82.8(3) .
N7 Mn2 N5 C6 11.9(4) .
O7 Mn2 N5 C6 92.4(3) .
N6 Mn2 N5 C6 4.7(3) .
O2 Mn2 N6 C7 59.7(15) .
O8 Mn2 N6 C7 85.7(3) .
N7 Mn2 N6 C7 175.8(3) .
O7 Mn2 N6 C7 -101.3(3) .
N5 Mn2 N6 C7 -8.7(3) .
O2 Mn2 N6 C11 -113.6(14) .
O8 Mn2 N6 C11 -87.6(3) .
N7 Mn2 N6 C11 2.5(3) .
O7 Mn2 N6 C11 85.4(3) .
N5 Mn2 N6 C11 178.0(3) .
O2 Mn2 N7 C12 -178.5(3) .
O8 Mn2 N7 C12 94.9(3) .
O7 Mn2 N7 C12 -84.5(3) .
N6 Mn2 N7 C12 6.2(3) .
N5 Mn2 N7 C12 -1.1(4) .
O2 Mn2 N7 N8 -22.1(4) .
O8 Mn2 N7 N8 -108.7(4) .
O7 Mn2 N7 N8 71.9(4) .
N6 Mn2 N7 N8 162.6(4) .
N5 Mn2 N7 N8 155.3(3) .
C12 N7 N8 C13 0.5(5) .
Mn2 N7 N8 C13 -157.8(3) .
C12 N7 N8 Mn1 164.8(3) .
Mn2 N7 N8 Mn1 6.4(6) .
O1 Mn1 N8 C13 165.0(3) .
O4 Mn1 N8 C13 70.7(3) 1_565
N3 Mn1 N8 C13 -96.9(3) 4_575
N2 Mn1 N8 C13 -35.1(6) 4_575
N10 Mn1 N8 C13 -11.1(3) .
O1 Mn1 N8 N7 2.7(4) .
O4 Mn1 N8 N7 -91.6(4) 1_565
N3 Mn1 N8 N7 100.9(3) 4_575
N2 Mn1 N8 N7 162.6(3) 4_575
N10 Mn1 N8 N7 -173.4(4) .
O1 Mn1 N10 C17 155.7(7) .
O4 Mn1 N10 C17 79.8(4) 1_565
N8 Mn1 N10 C17 -179.9(5) .
N3 Mn1 N10 C17 -80.6(4) 4_575
N2 Mn1 N10 C17 -7.8(4) 4_575
O1 Mn1 N10 C14 -12.9(10) .
O4 Mn1 N10 C14 -88.8(4) 1_565
N8 Mn1 N10 C14 11.5(3) .
N3 Mn1 N10 C14 110.8(4) 4_575
N2 Mn1 N10 C14 -176.3(4) 4_575
C4 N2 C1 C2 0.2(6) .
Mn1 N2 C1 C2 -179.3(4) 4_576
C3 N1 C2 C1 -3.4(10) .
N2 C1 C2 N1 2.7(8) .
C2 N1 C3 C4 1.4(10) .
C1 N2 C4 C3 -2.3(7) .
Mn1 N2 C4 C3 177.3(4) 4_576
C1 N2 C4 C5 -178.9(3) .
Mn1 N2 C4 C5 0.7(4) 4_576
N1 C3 C4 N2 1.5(9) .
N1 C3 C4 C5 177.9(6) .
N4 N3 C5 N5 -1.0(4) .
Mn1 N3 C5 N5 170.4(3) 4_576
N4 N3 C5 C4 177.9(3) .
Mn1 N3 C5 C4 -10.7(5) 4_576
C6 N5 C5 N3 0.6(4) .
Mn2 N5 C5 N3 -178.8(3) .
C6 N5 C5 C4 -178.2(4) .
Mn2 N5 C5 C4 2.4(8) .
N2 C4 C5 N3 6.6(6) .
C3 C4 C5 N3 -169.9(5) .
N2 C4 C5 N5 -174.7(4) .
C3 C4 C5 N5 8.8(8) .
N3 N4 C6 N5 -0.5(4) .
N3 N4 C6 C7 -179.8(3) .
C5 N5 C6 N4 0.0(4) .
Mn2 N5 C6 N4 179.6(2) .
C5 N5 C6 C7 179.3(3) .
Mn2 N5 C6 C7 -1.1(4) .
C11 N6 C7 C8 2.3(6) .
Mn2 N6 C7 C8 -171.0(3) .
C11 N6 C7 C6 -176.2(3) .
Mn2 N6 C7 C6 10.6(4) .
N4 C6 C7 N6 173.1(3) .
N5 C6 C7 N6 -6.1(5) .
N4 C6 C7 C8 -5.3(6) .
N5 C6 C7 C8 175.5(4) .
N6 C7 C8 C9 -1.0(6) .
C6 C7 C8 C9 177.3(4) .
C7 C8 C9 C10 -0.8(7) .
C8 C9 C10 C11 1.2(8) .
C7 N6 C11 C10 -1.8(6) .
Mn2 N6 C11 C10 171.4(3) .
C7 N6 C11 C12 177.1(4) .
Mn2 N6 C11 C12 -9.7(5) .
C9 C10 C11 N6 0.1(7) .
C9 C10 C11 C12 -178.6(4) .
N8 N7 C12 N9 -0.2(5) .
Mn2 N7 C12 N9 162.3(3) .
N8 N7 C12 C11 -176.2(4) .
Mn2 N7 C12 C11 -13.8(5) .
C13 N9 C12 N7 -0.2(5) .
C13 N9 C12 C11 175.3(4) .
N6 C11 C12 N7 15.2(6) .
C10 C11 C12 N7 -166.0(5) .
N6 C11 C12 N9 -160.1(4) .
C10 C11 C12 N9 18.7(8) .
N7 N8 C13 N9 -0.6(5) .
Mn1 N8 C13 N9 -166.7(3) .
N7 N8 C13 C14 176.0(4) .
Mn1 N8 C13 C14 9.9(6) .
C12 N9 C13 N8 0.5(5) .
C12 N9 C13 C14 -175.8(5) .
C17 N10 C14 C15 -0.9(8) .
Mn1 N10 C14 C15 169.1(5) .
C17 N10 C14 C13 179.4(5) .
Mn1 N10 C14 C13 -10.6(6) .
N8 C13 C14 N10 1.9(7) .
N9 C13 C14 N10 178.0(5) .
N8 C13 C14 C15 -177.9(6) .
N9 C13 C14 C15 -1.7(10) .
C16 N11 C15 C14 1.6(14) .
N10 C14 C15 N11 0.2(12) .
C13 C14 C15 N11 179.9(7) .
C15 N11 C16 C17 -2.7(14) .
C14 N10 C17 C16 -0.2(9) .
Mn1 N10 C17 C16 -168.4(5) .
N11 C16 C17 N10 2.1(12) .
Mn2 O2 C18 O1 44.5(5) .
Mn2 O2 C18 C19 -136.2(3) .
Mn1 O1 C18 O2 -84.1(5) .
Mn1 O1 C18 C19 96.5(5) .
O2 C18 C19 C24 178.7(4) .
O1 C18 C19 C24 -1.9(5) .
O2 C18 C19 C20 1.1(5) .
O1 C18 C19 C20 -179.5(4) .
C24 C19 C20 C21 0.1(6) .
C18 C19 C20 C21 177.8(4) .
C19 C20 C21 C22 0.5(6) .
C19 C20 C21 C25 -176.9(4) .
C20 C21 C22 C23 -1.3(6) .
C25 C21 C22 C23 176.1(4) .
C21 C22 C23 C24 1.4(6) .
C21 C22 C23 C26 -176.3(4) .
C20 C19 C24 C23 0.0(6) .
C18 C19 C24 C23 -177.7(4) .
C22 C23 C24 C19 -0.8(6) .
C26 C23 C24 C19 177.0(4) .
Mn1 O4 C25 O3 62.7(6) 1_545
Mn1 O4 C25 C21 -116.3(4) 1_545
C22 C21 C25 O3 -172.8(4) .
C20 C21 C25 O3 4.6(7) .
C22 C21 C25 O4 6.3(6) .
C20 C21 C25 O4 -176.3(4) .
C22 C23 C26 O6 169.6(6) .
C24 C23 C26 O6 -8.1(8) .
C22 C23 C26 O5 -12.5(7) .
C24 C23 C26 O5 169.8(5) .
