#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/40/7014007.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_7014007
loop_
_publ_author_name
'Zhao, Liang'
'Niel, Virginie'
'Thompson, Laurence K.'
'Xu, Zhiqiang'
'Milway, Victoria A.'
'Harvey, Rosemary G.'
'Miller, David O.'
'Wilson, Claire'
'Leech, Michael'
'Howard, Judith A. K.'
'Heath, Sarah L.'
_publ_section_title
;
 Self-assembled polynuclear clusters derived from some flexible
 polydentate dihydrazide ligands.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1446
_journal_page_last               1455
_journal_paper_doi               10.1039/b317091h
_journal_year                    2004
_chemical_formula_sum            'C32.75 H48.5 Mn2 N25 O20.75'
_chemical_formula_weight         1234.35
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 106.009(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.2151(12)
_cell_length_b                   19.8918(19)
_cell_length_c                   22.877(2)
_cell_measurement_temperature    193(2)
_cell_volume                     5780.5(9)
_computing_cell_refinement       'Bruker SAINT (Bruker, 1997)'
_computing_data_collection       'Bruker SMART (Bruker, 1997)'
_computing_data_reduction        'Bruker SAINT (Bruker, 1997)'
_computing_molecular_graphics    'teXsan for Windows (MSC, 1997)'
_computing_publication_material  'teXsan for Windows (MSC, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Bruker PLATFORM diffractometer/SMART 1000 CCD area detector'
_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  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            27849
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         1.38
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.527
_exptl_absorpt_correction_T_max  0.8580
_exptl_absorpt_correction_T_min  0.7429
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2544
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.153
_refine_diff_density_min         -1.122
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         11825
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.139
_refine_ls_R_factor_all          0.1467
_refine_ls_R_factor_gt           0.1266
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1212P)²+56.4038P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3497
_refine_ls_wR_factor_ref         0.3598
_reflns_number_gt                8959
_reflns_number_total             11825
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b317091h.txt
_cod_data_source_block           shelxl_(3)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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        5780.5(10)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C32.75 H48.50 Mn2 N25 O20.75'
_cod_database_code               7014007
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.72264(9) 0.07916(7) 0.80852(5) 0.0382(3) Uani 1 1 d . . .
Mn2 Mn 0.79082(10) 0.35589(7) 0.71801(6) 0.0406(3) Uani 1 1 d . . .
O1 O 0.6822(5) 0.1837(3) 0.8160(3) 0.0496(15) Uani 1 1 d . . .
O2 O 0.8817(5) 0.2739(4) 0.7670(3) 0.0591(17) Uani 1 1 d . . .
O3 O 0.5923(5) 0.0633(3) 0.8492(3) 0.0598(18) Uani 1 1 d . . .
O4 O 0.4837(6) -0.0059(4) 0.7928(3) 0.071(2) Uani 1 1 d . . .
O5 O 0.5446(9) -0.0263(5) 0.8877(4) 0.090(3) Uani 1 1 d . . .
O6 O 0.9405(6) 0.4082(4) 0.7243(3) 0.066(2) Uani 1 1 d . . .
O7 O 0.9479(7) 0.3741(4) 0.6356(3) 0.074(2) Uani 1 1 d . . .
O8 O 1.0294(7) 0.4634(5) 0.6741(4) 0.081(2) Uani 1 1 d . . .
O9 O 0.3635(10) 0.2838(14) 0.5118(6) 0.248(13) Uani 1 1 d . . .
O10 O 0.2675(17) 0.3614(15) 0.5280(11) 0.244(14) Uani 1 1 d . . .
O11 O 0.2263(7) 0.3089(7) 0.4441(4) 0.107(4) Uani 1 1 d . . .
O12 O 0.3597(13) 0.6330(8) -0.0134(11) 0.217(11) Uani 1 1 d . . .
O13 O 0.4860(12) 0.6184(8) 0.0663(5) 0.148(5) Uani 1 1 d . . .
O14 O 0.499(2) 0.6008(16) -0.0206(8) 0.286(15) Uani 1 1 d . . .
O15 O 1.2479(5) 0.1824(4) 0.6955(3) 0.0615(18) Uani 1 1 d . . .
O16 O 1.1094(5) 0.1618(5) 0.7247(4) 0.075(2) Uani 1 1 d . . .
O17 O 1.2602(6) 0.1353(6) 0.7818(4) 0.096(3) Uani 1 1 d . . .
O18 O 0.0920(7) 0.1860(5) 0.5892(4) 0.088(3) Uani 1 1 d . . .
O19 O 0.1183(11) 0.0550(10) 0.4059(6) 0.106(5) Uani 0.75 1 d P . .
O20 O 0.5427(15) 0.3249(10) 0.4125(6) 0.106(8) Uani 0.50 1 d P . .
O21 O 0.8354(12) 0.2595(8) 0.8922(7) 0.069(4) Uani 0.50 1 d P . .
O22 O 1.0368(16) 0.3055(10) 0.8686(10) 0.098(6) Uani 0.50 1 d P . .
O23 O 0.3025(16) 0.1093(15) 0.4686(13) 0.136(9) Uani 0.50 1 d P . .
N1 N 0.7132(5) -0.0323(4) 0.7816(3) 0.0447(16) Uani 1 1 d . . .
N2 N 0.6080(8) 0.0086(5) 0.6219(4) 0.064(2) Uani 1 1 d . . .
N3 N 0.6425(5) 0.0731(4) 0.7114(3) 0.0388(15) Uani 1 1 d . . .
N4 N 0.6019(5) 0.1292(3) 0.6728(3) 0.0378(15) Uani 1 1 d . . .
N5 N 0.4567(5) 0.1228(4) 0.7121(4) 0.0478(18) Uani 1 1 d . . .
N6 N 0.4884(6) 0.3341(4) 0.6400(4) 0.054(2) Uani 1 1 d . . .
N7 N 0.5876(5) 0.2734(3) 0.7254(3) 0.0407(15) Uani 1 1 d . . .
N8 N 0.6432(5) 0.3351(3) 0.7437(3) 0.0403(15) Uani 1 1 d . . .
N9 N 0.5633(7) 0.3397(5) 0.8211(4) 0.070(3) Uani 1 1 d . . .
N10 N 0.7818(6) 0.4290(4) 0.7941(3) 0.0492(18) Uani 1 1 d . . .
N11 N 0.7190(6) 0.4219(4) 0.6389(3) 0.0472(17) Uani 1 1 d . . .
N12 N 0.6353(7) 0.2836(4) 0.5352(4) 0.063(2) Uani 1 1 d . . .
N13 N 0.7379(5) 0.2917(3) 0.6358(3) 0.0390(15) Uani 1 1 d . . .
N14 N 0.7482(5) 0.2197(3) 0.6335(3) 0.0358(14) Uani 1 1 d . . .
N15 N 0.9151(6) 0.2351(4) 0.6242(4) 0.058(2) Uani 1 1 d . . .
N16 N 0.8914(6) 0.0289(4) 0.7036(3) 0.0488(18) Uani 1 1 d . . .
N17 N 0.8814(5) 0.1368(4) 0.7416(3) 0.0389(15) Uani 1 1 d . . .
N18 N 0.8763(5) 0.1064(3) 0.7966(3) 0.0380(15) Uani 1 1 d . . .
N19 N 1.0512(5) 0.1356(4) 0.8411(3) 0.0490(18) Uani 1 1 d . . .
N20 N 0.8423(5) 0.0715(4) 0.9002(3) 0.0405(15) Uani 1 1 d . . .
N21 N 0.5398(6) 0.0094(4) 0.8434(4) 0.0470(17) Uani 1 1 d . . .
N22 N 0.9708(5) 0.4153(3) 0.6803(3) 0.0375(15) Uani 1 1 d . . .
N23 N 0.2880(11) 0.3214(12) 0.4940(8) 0.141(10) Uani 1 1 d . . .
N24 N 0.4362(15) 0.6149(7) 0.0146(5) 0.114(5) Uani 1 1 d . . .
N25 N 1.2051(6) 0.1594(4) 0.7344(4) 0.0480(18) Uani 1 1 d . . .
C1 C 0.7471(8) -0.0825(6) 0.8188(5) 0.060(3) Uani 1 1 d . . .
C2 C 0.7519(10) -0.1482(6) 0.7991(6) 0.074(3) Uani 1 1 d . . .
C3 C 0.7230(11) -0.1602(6) 0.7377(6) 0.083(4) Uani 1 1 d . . .
C4 C 0.6875(9) -0.1059(5) 0.6974(5) 0.061(3) Uani 1 1 d . . .
C5 C 0.6831(6) -0.0425(5) 0.7214(4) 0.045(2) Uani 1 1 d . . .
C6 C 0.6419(6) 0.0170(4) 0.6830(4) 0.0402(18) Uani 1 1 d . . .
C7 C 0.5122(6) 0.1521(4) 0.6779(4) 0.0406(18) Uani 1 1 d . . .
C8 C 0.4678(6) 0.2139(4) 0.6423(4) 0.046(2) Uani 1 1 d . . .
C9 C 0.5187(6) 0.2781(4) 0.6730(4) 0.0386(18) Uani 1 1 d . . .
C10 C 0.6313(7) 0.3617(5) 0.7926(4) 0.048(2) Uani 1 1 d . . .
C11 C 0.6989(7) 0.4209(5) 0.8161(4) 0.049(2) Uani 1 1 d . . .
C12 C 0.6766(9) 0.4652(6) 0.8574(5) 0.065(3) Uani 1 1 d . . .
C13 C 0.7430(10) 0.5187(6) 0.8783(5) 0.071(3) Uani 1 1 d . . .
C14 C 0.8289(9) 0.5272(5) 0.8559(5) 0.064(3) Uani 1 1 d . . .
C15 C 0.8450(8) 0.4824(5) 0.8138(5) 0.054(2) Uani 1 1 d . . .
C16 C 0.7200(8) 0.4906(5) 0.6412(4) 0.053(2) Uani 1 1 d . . .
C17 C 0.6812(9) 0.5297(5) 0.5917(5) 0.061(3) Uani 1 1 d . . .
C18 C 0.6354(8) 0.5000(5) 0.5360(5) 0.059(3) Uani 1 1 d . . .
C19 C 0.6318(7) 0.4303(5) 0.5323(4) 0.049(2) Uani 1 1 d . . .
C20 C 0.6746(6) 0.3931(4) 0.5850(4) 0.0397(18) Uani 1 1 d . . .
C21 C 0.6821(6) 0.3173(5) 0.5853(4) 0.0401(18) Uani 1 1 d . . .
C22 C 0.8402(7) 0.1965(5) 0.6310(4) 0.0429(19) Uani 1 1 d . . .
C23 C 0.8566(7) 0.1218(4) 0.6334(4) 0.0428(19) Uani 1 1 d . . .
C24 C 0.8790(6) 0.0959(4) 0.6981(4) 0.0392(18) Uani 1 1 d . . .
C25 C 0.9574(6) 0.1130(4) 0.8437(4) 0.0376(17) Uani 1 1 d . . .
C26 C 0.9398(6) 0.0943(4) 0.9031(4) 0.0400(18) Uani 1 1 d . . .
C27 C 1.0161(7) 0.1021(6) 0.9583(4) 0.055(2) Uani 1 1 d . . .
C28 C 0.9901(8) 0.0854(6) 1.0109(4) 0.063(3) Uani 1 1 d . . .
C29 C 0.8914(9) 0.0609(6) 1.0077(4) 0.065(3) Uani 1 1 d . . .
C30 C 0.8199(7) 0.0538(5) 0.9511(4) 0.053(2) Uani 1 1 d . . .
C31 C 0.088(4) 0.038(2) 0.4474(18) 0.28(3) Uani 0.75 1 d P . .
C32 C 0.1212(13) 0.2263(11) 0.5488(7) 0.115(6) Uani 1 1 d . . .
C33 C 0.825(2) 0.277(2) 0.9462(12) 0.107(11) Uani 0.50 1 d P . .
C34 C 0.4555(12) 0.2950(9) 0.3844(8) 0.044(4) Uani 0.50 1 d P . .
H1 H 0.6409 0.2362 0.5341 0.076 Uiso 1 1 d . . .
H2 H 0.5949 0.3071 0.5000 0.076 Uiso 1 1 d . . .
H3 H 1.1074 0.1394 0.8771 0.059 Uiso 1 1 d . . .
H4 H 1.0610 0.1487 0.8030 0.059 Uiso 1 1 d . . .
H5 H 0.5578 0.3614 0.8575 0.082 Uiso 1 1 d . . .
H6 H 0.5197 0.3021 0.8060 0.082 Uiso 1 1 d . . .
H7 H 0.4824 0.0832 0.7343 0.058 Uiso 1 1 d . . .
H8 H 0.3920 0.1420 0.7141 0.058 Uiso 1 1 d . . .
H9 H 0.9032 0.0086 0.7425 0.059 Uiso 1 1 d . . .
H10 H 0.8884 0.0024 0.6689 0.059 Uiso 1 1 d . . .
H11 H 0.9052 0.2829 0.6212 0.070 Uiso 1 1 d . . .
H12 H 0.9809 0.2169 0.6229 0.070 Uiso 1 1 d . . .
H13 H 0.5187 0.3759 0.6549 0.064 Uiso 1 1 d . . .
H14 H 0.4365 0.3314 0.6019 0.064 Uiso 1 1 d . . .
H15 H 0.6094 -0.0346 0.6046 0.076 Uiso 1 1 d . . .
H16 H 0.5810 0.0460 0.5963 0.076 Uiso 1 1 d . . .
H17 H 0.7699 -0.0741 0.8612 0.072 Uiso 1 1 d . . .
H18 H 0.7736 -0.1838 0.8269 0.089 Uiso 1 1 d . . .
H19 H 0.7289 -0.2042 0.7227 0.099 Uiso 1 1 d . . .
H20 H 0.6669 -0.1127 0.6546 0.075 Uiso 1 1 d . . .
H21 H 0.6157 0.4577 0.8713 0.079 Uiso 1 1 d . . .
H22 H 0.7299 0.5493 0.9071 0.086 Uiso 1 1 d . . .
H23 H 0.8773 0.5632 0.8699 0.077 Uiso 1 1 d . . .
H24 H 0.9026 0.4896 0.7972 0.065 Uiso 1 1 d . . .
H25 H 0.7496 0.5116 0.6791 0.063 Uiso 1 1 d . . .
H26 H 0.6842 0.5771 0.5948 0.076 Uiso 1 1 d . . .
H27 H 0.6072 0.5267 0.5007 0.070 Uiso 1 1 d . . .
H28 H 0.6003 0.4090 0.4946 0.059 Uiso 1 1 d . . .
H29 H 1.0848 0.1184 0.9597 0.067 Uiso 1 1 d . . .
H30 H 1.0394 0.0916 1.0495 0.078 Uiso 1 1 d . . .
H31 H 0.8724 0.0488 1.0437 0.078 Uiso 1 1 d . . .
H32 H 0.7526 0.0355 0.9486 0.063 Uiso 1 1 d . . .
H33 H 0.1215 0.0576 0.4871 0.196 Uiso 0.75 1 d P . .
H34 H 0.0106 0.0505 0.4416 0.196 Uiso 0.75 1 d P . .
H35 H 0.0870 -0.0104 0.4544 0.196 Uiso 0.75 1 d P . .
H36 H 0.1516 0.2662 0.5680 0.138 Uiso 1 1 d . . .
H37 H 0.1709 0.2030 0.5329 0.138 Uiso 1 1 d . . .
H38 H 0.0608 0.2368 0.5161 0.138 Uiso 1 1 d . . .
H39 H 0.8474 0.2395 0.9731 0.124 Uiso 0.50 1 d P . .
H40 H 0.8630 0.3149 0.9606 0.124 Uiso 0.50 1 d P . .
H41 H 0.7510 0.2838 0.9421 0.124 Uiso 0.50 1 d P . .
H42 H 0.4213 0.2814 0.4180 0.057 Uiso 0.50 1 d P . .
H43 H 0.4093 0.3207 0.3579 0.057 Uiso 0.50 1 d P . .
H44 H 0.4706 0.2533 0.3688 0.057 Uiso 0.50 1 d P . .
H45 H 0.6262 0.1956 0.8327 0.061 Uiso 1 1 d . . .
H46 H 0.7207 0.2183 0.8027 0.061 Uiso 1 1 d . . .
H47 H 0.8475 0.2349 0.7765 0.071 Uiso 1 1 d . . .
H48 H 0.9566 0.2763 0.7796 0.071 Uiso 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
_geom_angle_publ_flag
O1 Mn1 N3 94.2(3) . . ?
O1 Mn1 N18 91.7(3) . . ?
N3 Mn1 N18 95.4(2) . . ?
O1 Mn1 O3 82.3(3) . . ?
N3 Mn1 O3 101.9(3) . . ?
N18 Mn1 O3 162.1(3) . . ?
O1 Mn1 N20 96.7(3) . . ?
N3 Mn1 N20 163.7(3) . . ?
N18 Mn1 N20 72.3(2) . . ?
O3 Mn1 N20 91.5(3) . . ?
O1 Mn1 N1 162.3(3) . . ?
N3 Mn1 N1 72.5(3) . . ?
N18 Mn1 N1 100.9(3) . . ?
O3 Mn1 N1 89.1(3) . . ?
N20 Mn1 N1 99.0(3) . . ?
O2 Mn2 O6 87.8(3) . . ?
O2 Mn2 N13 90.3(3) . . ?
O6 Mn2 N13 113.2(3) . . ?
O2 Mn2 N8 97.2(3) . . ?
O6 Mn2 N8 155.1(3) . . ?
N13 Mn2 N8 91.3(3) . . ?
O2 Mn2 N11 157.5(3) . . ?
O6 Mn2 N11 87.0(3) . . ?
N13 Mn2 N11 71.8(3) . . ?
N8 Mn2 N11 96.7(3) . . ?
O2 Mn2 N10 102.9(3) . . ?
O6 Mn2 N10 83.4(3) . . ?
N13 Mn2 N10 159.4(3) . . ?
N8 Mn2 N10 71.6(3) . . ?
N11 Mn2 N10 98.2(3) . . ?
N21 O3 Mn1 123.4(5) . . ?
N22 O6 Mn2 120.4(5) . . ?
C1 N1 C5 120.3(9) . . ?
C1 N1 Mn1 125.4(7) . . ?
C5 N1 Mn1 113.7(6) . . ?
C6 N3 N4 114.5(6) . . ?
C6 N3 Mn1 119.6(6) . . ?
N4 N3 Mn1 125.3(5) . . ?
C7 N4 N3 114.3(6) . . ?
C9 N7 N8 112.5(7) . . ?
C10 N8 N7 115.6(7) . . ?
C10 N8 Mn2 118.6(6) . . ?
N7 N8 Mn2 119.9(5) . . ?
C11 N10 C15 117.8(8) . . ?
C11 N10 Mn2 115.4(6) . . ?
C15 N10 Mn2 126.4(7) . . ?
C20 N11 C16 117.5(8) . . ?
C20 N11 Mn2 118.4(6) . . ?
C16 N11 Mn2 124.1(6) . . ?
C21 N13 N14 113.2(7) . . ?
C21 N13 Mn2 119.9(6) . . ?
N14 N13 Mn2 126.4(5) . . ?
C22 N14 N13 116.6(7) . . ?
C24 N17 N18 115.1(7) . . ?
C25 N18 N17 117.6(7) . . ?
C25 N18 Mn1 120.2(5) . . ?
N17 N18 Mn1 119.3(4) . . ?
C30 N20 C26 119.2(7) . . ?
C30 N20 Mn1 124.4(6) . . ?
C26 N20 Mn1 116.0(5) . . ?
O5 N21 O4 121.0(9) . . ?
O5 N21 O3 120.3(9) . . ?
O4 N21 O3 118.7(8) . . ?
O6 N22 O8 123.0(8) . . ?
O6 N22 O7 122.6(7) . . ?
O8 N22 O7 114.4(8) . . ?
O10 N23 O9 120(2) . . ?
O10 N23 O11 121.8(19) . . ?
O9 N23 O11 117(2) . . ?
O12 N24 O13 137(2) . . ?
O12 N24 O14 110.1(19) . . ?
O13 N24 O14 110(2) . . ?
O16 N25 O17 120.7(8) . . ?
O16 N25 O15 119.8(8) . . ?
O17 N25 O15 119.5(8) . . ?
N1 C1 C2 123.0(10) . . ?
C3 C2 C1 118.2(10) . . ?
C2 C3 C4 119.0(11) . . ?
C5 C4 C3 118.7(10) . . ?
N1 C5 C4 120.9(9) . . ?
N1 C5 C6 116.3(8) . . ?
C4 C5 C6 122.7(8) . . ?
N3 C6 N2 125.5(8) . . ?
N3 C6 C5 116.2(7) . . ?
N2 C6 C5 118.3(8) . . ?
N4 C7 N5 123.8(8) . . ?
N4 C7 C8 117.8(7) . . ?
N5 C7 C8 118.4(7) . . ?
C7 C8 C9 112.3(7) . . ?
N7 C9 N6 127.3(8) . . ?
N7 C9 C8 118.4(7) . . ?
N6 C9 C8 114.3(7) . . ?
N8 C10 N9 123.8(9) . . ?
N8 C10 C11 115.8(8) . . ?
N9 C10 C11 120.4(9) . . ?
N10 C11 C12 122.1(10) . . ?
N10 C11 C10 115.7(8) . . ?
C12 C11 C10 122.2(9) . . ?
C13 C12 C11 119.6(11) . . ?
C14 C13 C12 118.4(10) . . ?
C15 C14 C13 119.0(10) . . ?
N10 C15 C14 122.9(10) . . ?
C17 C16 N11 123.0(9) . . ?
C16 C17 C18 119.6(10) . . ?
C17 C18 C19 118.8(9) . . ?
C18 C19 C20 118.6(9) . . ?
N11 C20 C19 122.6(8) . . ?
N11 C20 C21 114.3(7) . . ?
C19 C20 C21 123.0(8) . . ?
N13 C21 N12 126.1(8) . . ?
N13 C21 C20 114.7(7) . . ?
N12 C21 C20 119.1(7) . . ?
N15 C22 N14 122.8(9) . . ?
N15 C22 C23 119.0(8) . . ?
N14 C22 C23 118.2(7) . . ?
C22 C23 C24 111.0(7) . . ?
N17 C24 N16 125.6(8) . . ?
N17 C24 C23 120.0(7) . . ?
N16 C24 C23 114.4(8) . . ?
N18 C25 N19 124.1(8) . . ?
N18 C25 C26 115.5(7) . . ?
N19 C25 C26 120.4(7) . . ?
N20 C26 C27 121.7(8) . . ?
N20 C26 C25 115.2(7) . . ?
C27 C26 C25 123.0(8) . . ?
C28 C27 C26 118.1(9) . . ?
C29 C28 C27 120.0(9) . . ?
C28 C29 C30 118.6(9) . . ?
N20 C30 C29 122.3(9) . . ?
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
Mn1 O1 2.165(6) . ?
Mn1 N3 2.186(7) . ?
Mn1 N18 2.190(7) . ?
Mn1 O3 2.195(6) . ?
Mn1 N20 2.257(7) . ?
Mn1 N1 2.295(8) . ?
Mn2 O2 2.148(7) . ?
Mn2 O6 2.205(7) . ?
Mn2 N13 2.220(7) . ?
Mn2 N8 2.225(7) . ?
Mn2 N11 2.226(8) . ?
Mn2 N10 2.297(8) . ?
O3 N21 1.263(9) . ?
O4 N21 1.229(10) . ?
O5 N21 1.225(10) . ?
O6 N22 1.189(10) . ?
O7 N22 1.280(10) . ?
O8 N22 1.263(10) . ?
O9 N23 1.22(2) . ?
O10 N23 1.19(3) . ?
O11 N23 1.23(2) . ?
O12 N24 1.098(18) . ?
O13 N24 1.186(15) . ?
O14 N24 1.34(3) . ?
O15 N25 1.265(10) . ?
O16 N25 1.223(9) . ?
O17 N25 1.225(11) . ?
O18 C32 1.359(17) . ?
O19 C31 1.18(5) . ?
O20 C34 1.30(2) . ?
O21 C33 1.33(3) . ?
N1 C1 1.310(12) . ?
N1 C5 1.339(11) . ?
N2 C6 1.354(11) . ?
N3 C6 1.289(11) . ?
N3 N4 1.432(9) . ?
N4 C7 1.304(11) . ?
N5 C7 1.344(11) . ?
N6 C9 1.345(10) . ?
N7 C9 1.292(11) . ?
N7 N8 1.432(10) . ?
N8 C10 1.287(11) . ?
N9 C10 1.322(12) . ?
N10 C11 1.335(12) . ?
N10 C15 1.349(12) . ?
N11 C20 1.340(11) . ?
N11 C16 1.366(12) . ?
N12 C21 1.326(11) . ?
N13 C21 1.292(10) . ?
N13 N14 1.440(9) . ?
N14 C22 1.317(11) . ?
N15 C22 1.296(11) . ?
N16 C24 1.345(11) . ?
N17 C24 1.277(11) . ?
N17 N18 1.416(9) . ?
N18 C25 1.299(10) . ?
N19 C25 1.335(10) . ?
N20 C30 1.327(11) . ?
N20 C26 1.349(10) . ?
C1 C2 1.389(16) . ?
C2 C3 1.370(18) . ?
C3 C4 1.414(16) . ?
C4 C5 1.383(14) . ?
C5 C6 1.486(12) . ?
C7 C8 1.502(11) . ?
C8 C9 1.522(12) . ?
C10 C11 1.485(14) . ?
C11 C12 1.382(14) . ?
C12 C13 1.379(17) . ?
C13 C14 1.379(17) . ?
C14 C15 1.372(14) . ?
C16 C17 1.355(14) . ?
C17 C18 1.383(15) . ?
C18 C19 1.388(14) . ?
C19 C20 1.395(12) . ?
C20 C21 1.510(12) . ?
C22 C23 1.500(12) . ?
C23 C24 1.518(11) . ?
C25 C26 1.489(11) . ?
C26 C27 1.391(12) . ?
C27 C28 1.380(14) . ?
C28 C29 1.374(15) . ?
C29 C30 1.384(13) . ?
