#------------------------------------------------------------------------------
#$Date: 2017-08-09 05:03:23 +0300 (Wed, 09 Aug 2017) $
#$Revision: 199655 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/88/7228877.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_7228877
loop_
_publ_author_name
'Wei, Zhen'
'Zhang, Zong-Hui'
'Wang, Meng Meng'
'xu, ling'
'Liu, Bing'
'Jiao, Huan'
_publ_section_title
;
 Combination effect of ligand and ionic liquid components on the structure
 and property in manganese metal--organic frameworks
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE01216K
_journal_year                    2017
_chemical_formula_moiety         '0.5(C48 H24 Cl4 Mn6 O24), 2(C7 H13 N2)'
_chemical_formula_sum            'C38 H38 Cl2 Mn3 N4 O12'
_chemical_formula_weight         978.44
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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_block_doi                 10.5517/ccdc.csd.cc1p9md0
_audit_creation_date             2017-06-13
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_audit_update_record
;
2017-06-26 deposited with the CCDC.
2017-08-08 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 109.574(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.2885(3)
_cell_length_b                   9.6523(2)
_cell_length_c                   18.1669(5)
_cell_measurement_reflns_used    9198
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.3950
_cell_measurement_theta_min      3.7120
_cell_volume                     2195.51(10)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2002)'
_computing_molecular_graphics    'Siemens SHELXTLTM 5'
_computing_publication_material  'Siemens SHELXTLTM 5'
_computing_structure_refinement  'Siemens SHELXTLTM 5'
_computing_structure_solution    'Siemens SHELXTLTM 5'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_unetI/netI     0.0229
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20852
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.72
_diffrn_source                   'rotating-anode generator'
_exptl_absorpt_coefficient_mu    1.033
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.91694
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (CrystalClear)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             998
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.758
_refine_diff_density_min         -0.394
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         3859
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0370
_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)+(0.0701P)²+1.4993P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1070
_refine_ls_wR_factor_ref         0.1129
_reflns_number_gt                3320
_reflns_number_total             3859
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ce01216k2.cif
_cod_data_source_block           14_CCDC4
_cod_original_cell_volume        2195.51(9)
_cod_database_code               7228877
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C6-C7
 1.5 with sigma of 0.01
 C5-C6
 1.5 with sigma of 0.01
3. Rigid bond restraints
 C6, C7
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(C7) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.005
5.a Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C6(H6A,H6B)
5.b Me refined with riding coordinates:
 C4(H4A,H4B,H4C), C7(H7A,H7B,H7C)
5.c Aromatic/amide H refined with riding coordinates:
 C12(H12A), C13(H13A), C15(H15A), C16(H16A), C22(H22A), C23(H23A), C1(H1A),
 C2(H2A), C3(H3A)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 '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
Mn1 Mn 0.29880(3) 0.05373(4) 0.07662(2) 0.02515(15) Uani 1 1 d .
Mn2 Mn 0.5000 0.0000 0.0000 0.02192(16) Uani 1 2 d S
Cl1 Cl 0.14605(7) 0.14184(12) 0.09686(6) 0.0693(3) Uani 1 1 d .
O11 O 0.23679(17) -0.0885(2) -0.01177(12) 0.0436(5) Uani 1 1 d .
O12 O 0.36932(16) -0.1287(2) -0.05798(13) 0.0452(6) Uani 1 1 d .
O13 O -0.11225(17) -0.4426(2) -0.32613(12) 0.0445(5) Uani 1 1 d .
O14 O 0.0069(2) -0.4315(3) -0.38590(13) 0.0551(6) Uani 1 1 d .
C11 C 0.1984(2) -0.2104(3) -0.12997(16) 0.0320(6) Uani 1 1 d .
C12 C 0.0918(2) -0.2214(3) -0.13724(17) 0.0380(7) Uani 1 1 d .
H12A H 0.0678 -0.1844 -0.0988 0.046 Uiso 1 1 calc R
C13 C 0.0207(2) -0.2868(3) -0.20103(17) 0.0393(7) Uani 1 1 d .
H13A H -0.0506 -0.2954 -0.2049 0.047 Uiso 1 1 calc R
C14 C 0.0551(2) -0.3397(3) -0.25930(16) 0.0326(6) Uani 1 1 d .
C15 C 0.1613(3) -0.3292(4) -0.25197(18) 0.0457(8) Uani 1 1 d .
H15A H 0.1851 -0.3652 -0.2907 0.055 Uiso 1 1 calc R
C16 C 0.2328(2) -0.2657(4) -0.18756(19) 0.0453(8) Uani 1 1 d .
H16A H 0.3045 -0.2600 -0.1829 0.054 Uiso 1 1 calc R
C17 C 0.2748(2) -0.1374(3) -0.06093(16) 0.0324(6) Uani 1 1 d .
C18 C -0.0220(2) -0.4097(3) -0.32915(16) 0.0350(6) Uani 1 1 d .
O21 O 0.3985(2) 0.2683(2) 0.11965(16) 0.0600(7) Uani 1 1 d .
O22 O 0.38498(15) 0.15981(19) 0.01056(13) 0.0355(5) Uani 1 1 d .
C21 C 0.4592(2) 0.3865(3) 0.02718(18) 0.0361(7) Uani 1 1 d .
C22 C 0.5014(3) 0.4970(3) 0.0761(2) 0.0446(8) Uani 1 1 d .
H22A H 0.5022 0.4954 0.1275 0.054 Uiso 1 1 calc R
C23 C 0.5422(3) 0.6093(3) 0.04898(19) 0.0429(7) Uani 1 1 d .
H23A H 0.5710 0.6831 0.0823 0.051 Uiso 1 1 calc R
C24 C 0.4133(2) 0.2659(3) 0.0560(2) 0.0385(7) Uani 1 1 d .
N1 N 0.1922(4) -0.3881(6) 0.1646(4) 0.1045(15) Uani 1 1 d .
N2 N 0.0659(3) -0.2402(4) 0.1472(2) 0.0830(11) Uani 1 1 d .
C1 C 0.1297(5) -0.3287(7) 0.1978(3) 0.110(2) Uani 1 1 d .
H1A H 0.1299 -0.3455 0.2482 0.132 Uiso 1 1 calc R
C2 C 0.1712(6) -0.3372(9) 0.0970(5) 0.129(3) Uani 1 1 d .
H2A H 0.2044 -0.3613 0.0612 0.155 Uiso 1 1 calc R
C3 C 0.0954(6) -0.2452(8) 0.0858(3) 0.113(2) Uani 1 1 d .
H3A H 0.0669 -0.1919 0.0410 0.136 Uiso 1 1 calc R
C4 C 0.2703(7) -0.4972(10) 0.1964(6) 0.171(4) Uani 1 1 d .
H4A H 0.3043 -0.5208 0.1590 0.256 Uiso 1 1 calc R
H4B H 0.2351 -0.5774 0.2074 0.256 Uiso 1 1 calc R
H4C H 0.3231 -0.4653 0.2437 0.256 Uiso 1 1 calc R
C5 C -0.0208(7) -0.1586(8) 0.1552(6) 0.161(3) Uani 1 1 d D
H5A H 0.0047 -0.1097 0.2046 0.193 Uiso 1 1 calc R
H5B H -0.0405 -0.0896 0.1140 0.193 Uiso 1 1 calc R
C6 C -0.1171(7) -0.2371(13) 0.1519(7) 0.230(6) Uani 1 1 d DU
H6A H -0.1094 -0.2589 0.2057 0.276 Uiso 1 1 calc R
H6B H -0.1760 -0.1722 0.1340 0.276 Uiso 1 1 calc R
C7 C -0.1533(12) -0.3618(14) 0.1087(9) 0.264(7) Uani 1 1 d DU
H7A H -0.2212 -0.3879 0.1123 0.397 Uiso 1 1 calc R
H7B H -0.1024 -0.4344 0.1297 0.397 Uiso 1 1 calc R
H7C H -0.1606 -0.3468 0.0549 0.397 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'
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'
Cl Cl 0.1484 0.1585 '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
Cl1 Mn1 O21 92.73(7) . .
O11 Mn1 Cl1 102.87(7) . .
O11 Mn1 O13 106.57(10) . 4_656
O11 Mn1 O21 147.78(8) . .
O11 Mn1 O22 91.76(8) . .
O13 Mn1 Cl1 109.39(7) 4_656 .
O13 Mn1 O21 94.18(9) 4_656 .
O13 Mn1 O22 117.42(8) 4_656 .
O22 Mn1 Cl1 124.11(6) . .
O22 Mn1 O21 56.44(8) . .
O12 Mn2 O12 180.00(17) 3_655 .
O12 Mn2 O14 86.42(10) 3_655 4_656
O12 Mn2 O14 93.58(10) . 4_656
O12 Mn2 O14 93.58(10) 3_655 2_554
O12 Mn2 O14 86.42(10) . 2_554
O12 Mn2 O22 91.32(8) 3_655 .
O12 Mn2 O22 91.32(8) . 3_655
O12 Mn2 O22 88.68(8) . .
O12 Mn2 O22 88.68(8) 3_655 3_655
O14 Mn2 O14 180.00(14) 2_554 4_656
O14 Mn2 O22 93.53(9) 4_656 3_655
O14 Mn2 O22 86.47(9) 4_656 .
O14 Mn2 O22 93.53(9) 2_554 .
O14 Mn2 O22 86.47(9) 2_554 3_655
O22 Mn2 O22 180.00(13) . 3_655
C17 O11 Mn1 130.75(18) . .
C17 O12 Mn2 135.49(19) . .
C18 O13 Mn1 111.96(18) . 4
C18 O14 Mn2 159.2(2) . 2_544
C12 C11 C17 120.1(2) . .
C16 C11 C12 119.1(3) . .
C16 C11 C17 120.8(2) . .
C11 C12 H12A 119.8 . .
C13 C12 C11 120.5(3) . .
C13 C12 H12A 119.8 . .
C12 C13 H13A 119.9 . .
C12 C13 C14 120.2(3) . .
C14 C13 H13A 119.9 . .
C13 C14 C18 120.5(3) . .
C15 C14 C13 119.4(3) . .
C15 C14 C18 120.2(3) . .
C14 C15 H15A 119.8 . .
C16 C15 C14 120.4(3) . .
C16 C15 H15A 119.8 . .
C11 C16 H16A 119.8 . .
C15 C16 C11 120.4(3) . .
C15 C16 H16A 119.8 . .
O11 C17 C11 116.8(2) . .
O12 C17 O11 125.9(3) . .
O12 C17 C11 117.3(2) . .
O13 C18 C14 117.9(3) . .
O14 C18 O13 124.1(3) . .
O14 C18 C14 118.0(3) . .
C24 O21 Mn1 85.62(19) . .
Mn1 O22 Mn2 103.02(8) . .
C24 O22 Mn1 96.65(17) . .
C24 O22 Mn2 122.96(18) . .
C22 C21 C24 120.3(3) . .
C23 C21 C22 119.3(3) 3_665 .
C23 C21 C24 120.4(3) 3_665 .
C21 C22 H22A 119.9 . .
C23 C22 C21 120.1(3) . .
C23 C22 H22A 119.9 . .
C21 C23 H23A 119.7 3_665 .
C22 C23 C21 120.6(3) . 3_665
C22 C23 H23A 119.7 . .
O21 C24 O22 120.6(3) . .
O21 C24 C21 121.7(3) . .
O22 C24 C21 117.6(3) . .
C1 N1 C4 127.8(6) . .
C2 N1 C1 108.0(5) . .
C2 N1 C4 124.2(7) . .
C1 N2 C5 128.8(6) . .
C3 N2 C1 105.2(5) . .
C3 N2 C5 125.9(6) . .
N1 C1 N2 108.6(5) . .
N1 C1 H1A 125.7 . .
N2 C1 H1A 125.7 . .
N1 C2 H2A 125.6 . .
N1 C2 C3 108.8(6) . .
C3 C2 H2A 125.6 . .
N2 C3 C2 109.3(5) . .
N2 C3 H3A 125.4 . .
C2 C3 H3A 125.4 . .
N1 C4 H4A 109.5 . .
N1 C4 H4B 109.5 . .
N1 C4 H4C 109.5 . .
H4A C4 H4B 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N2 C5 H5A 108.4 . .
N2 C5 H5B 108.4 . .
H5A C5 H5B 107.5 . .
C6 C5 N2 115.4(6) . .
C6 C5 H5A 108.4 . .
C6 C5 H5B 108.4 . .
C5 C6 H6A 105.9 . .
C5 C6 H6B 105.9 . .
H6A C6 H6B 106.2 . .
C7 C6 C5 125.7(9) . .
C7 C6 H6A 105.9 . .
C7 C6 H6B 105.9 . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7B 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 Cl1 2.3407(9) .
Mn1 O11 2.063(2) .
Mn1 O13 2.066(2) 4_656
Mn1 O21 2.442(2) .
Mn1 O22 2.173(2) .
Mn2 O12 2.1078(19) 3_655
Mn2 O12 2.1078(19) .
Mn2 O14 2.148(2) 2_554
Mn2 O14 2.148(2) 4_656
Mn2 O22 2.2246(19) 3_655
Mn2 O22 2.2246(19) .
O11 C17 1.256(4) .
O12 C17 1.242(3) .
O13 Mn1 2.066(2) 4
O13 C18 1.260(4) .
O14 Mn2 2.148(2) 2_544
O14 C18 1.232(4) .
C11 C12 1.382(4) .
C11 C16 1.381(4) .
C11 C17 1.499(4) .
C12 H12A 0.9300 .
C12 C13 1.379(4) .
C13 H13A 0.9300 .
C13 C14 1.384(4) .
C14 C15 1.377(4) .
C14 C18 1.498(4) .
C15 H15A 0.9300 .
C15 C16 1.379(4) .
C16 H16A 0.9300 .
O21 C24 1.237(4) .
O22 C24 1.289(4) .
C21 C22 1.381(4) .
C21 C23 1.378(4) 3_665
C21 C24 1.488(4) .
C22 H22A 0.9300 .
C22 C23 1.376(4) .
C23 C21 1.378(4) 3_665
C23 H23A 0.9300 .
N1 C1 1.309(7) .
N1 C2 1.265(8) .
N1 C4 1.455(9) .
N2 C1 1.331(7) .
N2 C3 1.301(7) .
N2 C5 1.442(8) .
C1 H1A 0.9300 .
C2 H2A 0.9300 .
C2 C3 1.307(9) .
C3 H3A 0.9300 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C5 C6 1.472(8) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C6 C7 1.430(9) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
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
Mn1 O11 C17 O12 14.3(5) . .
Mn1 O11 C17 C11 -164.6(2) . .
Mn1 O13 C18 O14 5.3(4) 4 .
Mn1 O13 C18 C14 -174.7(2) 4 .
Mn1 O21 C24 O22 -7.6(3) . .
Mn1 O21 C24 C21 169.4(3) . .
Mn1 O22 C24 O21 8.6(3) . .
Mn1 O22 C24 C21 -168.5(2) . .
Mn2 O12 C17 O11 -19.8(5) . .
Mn2 O12 C17 C11 159.0(2) . .
Mn2 O14 C18 O13 0.2(9) 2_544 .
Mn2 O14 C18 C14 -179.8(5) 2_544 .
Mn2 O22 C24 O21 -101.6(3) . .
Mn2 O22 C24 C21 81.2(3) . .
Cl1 Mn1 O11 C17 156.9(3) . .
Cl1 Mn1 O21 C24 -125.30(19) . .
Cl1 Mn1 O22 Mn2 -170.74(5) . .
Cl1 Mn1 O22 C24 63.16(19) . .
O11 Mn1 O21 C24 -5.7(3) . .
O11 Mn1 O22 Mn2 -63.88(10) . .
O11 Mn1 O22 C24 170.02(18) . .
O12 Mn2 O12 C17 99(100) 3_655 .
O12 Mn2 O22 Mn1 -120.55(10) 3_655 .
O12 Mn2 O22 Mn1 59.45(10) . .
O12 Mn2 O22 C24 166.4(2) . .
O12 Mn2 O22 C24 -13.6(2) 3_655 .
O13 Mn1 O11 C17 -88.1(3) 4_656 .
O13 Mn1 O21 C24 125.0(2) 4_656 .
O13 Mn1 O22 Mn2 45.83(12) 4_656 .
O13 Mn1 O22 C24 -80.27(19) 4_656 .
O14 Mn2 O12 C17 63.9(3) 4_656 .
O14 Mn2 O12 C17 -116.1(3) 2_554 .
O14 Mn2 O22 Mn1 -34.22(10) 4_656 .
O14 Mn2 O22 Mn1 145.78(10) 2_554 .
O14 Mn2 O22 C24 72.7(2) 4_656 .
O14 Mn2 O22 C24 -107.3(2) 2_554 .
C11 C12 C13 C14 -1.3(5) . .
C12 C11 C16 C15 0.9(5) . .
C12 C11 C17 O11 0.0(4) . .
C12 C11 C17 O12 -178.9(3) . .
C12 C13 C14 C15 1.5(5) . .
C12 C13 C14 C18 -179.4(3) . .
C13 C14 C15 C16 -0.5(5) . .
C13 C14 C18 O13 -13.5(4) . .
C13 C14 C18 O14 166.5(3) . .
C14 C15 C16 C11 -0.7(6) . .
C15 C14 C18 O13 165.5(3) . .
C15 C14 C18 O14 -14.4(4) . .
C16 C11 C12 C13 0.1(5) . .
C16 C11 C17 O11 179.1(3) . .
C16 C11 C17 O12 0.1(4) . .
C17 C11 C12 C13 179.2(3) . .
C17 C11 C16 C15 -178.1(3) . .
C18 C14 C15 C16 -179.6(3) . .
O21 Mn1 O11 C17 39.8(4) . .
O21 Mn1 O22 Mn2 121.61(12) . .
O21 Mn1 O22 C24 -4.48(17) . .
O22 Mn1 O11 C17 31.2(3) . .
O22 Mn1 O21 C24 4.65(17) . .
O22 Mn2 O12 C17 -22.5(3) . .
O22 Mn2 O12 C17 157.5(3) 3_655 .
O22 Mn2 O22 Mn1 54(98) 3_655 .
O22 Mn2 O22 C24 161(98) 3_655 .
C21 C22 C23 C21 0.5(6) . 3_665
C22 C21 C24 O21 9.8(5) . .
C22 C21 C24 O22 -173.1(3) . .
C23 C21 C22 C23 -0.5(5) 3_665 .
C23 C21 C24 O21 -168.7(3) 3_665 .
C23 C21 C24 O22 8.4(4) 3_665 .
C24 C21 C22 C23 -179.0(3) . .
N1 C2 C3 N2 -1.5(10) . .
N2 C5 C6 C7 -30.6(18) . .
C1 N1 C2 C3 -0.2(9) . .
C1 N2 C3 C2 2.4(8) . .
C1 N2 C5 C6 -71.2(12) . .
C2 N1 C1 N2 1.7(8) . .
C3 N2 C1 N1 -2.5(8) . .
C3 N2 C5 C6 106.1(10) . .
C4 N1 C1 N2 -176.3(7) . .
C4 N1 C2 C3 177.9(7) . .
C5 N2 C1 N1 175.2(7) . .
C5 N2 C3 C2 -175.4(7) . .
