#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/20/7102003.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_7102003
loop_
_publ_author_name
'Milios, Constantinos J'
'Inglis, Ross'
'Vinslava, Alina'
'Prescimone, Alessandro'
'Wernsdorfer, Wolfgang'
'Parsons, Simon'
'Perlepes, Spyros P'
'Christou, George'
'Brechin, Euan K'
_publ_section_title
;
 Turning up the spin, turning on single-molecule magnetism: from S = 1
 to S = 7 in a [Mn(8)] cluster via ligand induced structural
 distortion.
;
_journal_issue                   26
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2738
_journal_page_last               2740
_journal_paper_doi               10.1039/b703089d
_journal_year                    2007
_chemical_formula_moiety         '[Mn8O2(napth-salox)6(N3)6(MeOH)8].10MeOH'
_chemical_formula_sum            'C84 H114 Mn8 N24 O32'
_chemical_formula_weight         2411.51
_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   mixed
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                111.6580(10)
_cell_angle_beta                 109.8920(10)
_cell_angle_gamma                102.6120(10)
_cell_formula_units_Z            1
_cell_length_a                   13.8273(3)
_cell_length_b                   15.3275(3)
_cell_length_c                   15.5166(4)
_cell_measurement_reflns_used    7762
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_volume                     2642.14(10)
_computing_cell_refinement       Saint
_computing_data_collection       Smart
_computing_data_reduction        Saint
_computing_molecular_graphics    XP
_computing_publication_material  'XCIF, PLATON'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    DIRDIF
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker Smarp APEX CCD'
_diffrn_measurement_method       'omega and phi'
_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  0.0506
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            61412
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    1.011
_exptl_absorpt_correction_T_max  0.806
_exptl_absorpt_correction_T_min  0.528
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs scaled by 1.08'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1242
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.072
_refine_diff_density_min         -0.549
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    'riding/refall/rotating group'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     694
_refine_ls_number_reflns         14863
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0492
_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)+(0.0500P)²+2.3262P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1106
_refine_ls_wR_factor_ref         0.1174
_reflns_number_gt                11955
_reflns_number_total             14863
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b703089d.txt
_cod_data_source_block           eb6138
_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.

'_exptl_absorpt_correction_type' value 'Multiscan' changed to
'multi-scan' 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 

The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'geom/difmap' was changed to
'mixed'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7102003
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
Mn1 Mn -0.22237(3) -0.15634(3) 0.27465(3) 0.01541(8) Uani 1 1 d .
Mn2 Mn 0.04065(3) -0.00130(3) 0.41141(3) 0.01473(8) Uani 1 1 d .
Mn3 Mn -0.14139(3) 0.06196(3) 0.28094(3) 0.01521(8) Uani 1 1 d .
Mn4 Mn -0.05966(3) -0.15553(3) 0.12183(3) 0.01970(8) Uani 1 1 d .
O1 O -0.10783(12) -0.03318(12) 0.32342(12) 0.0158(3) Uani 1 1 d .
O11 O -0.33760(13) -0.26587(12) 0.25336(13) 0.0204(3) Uani 1 1 d .
C11 C -0.3337(2) -0.34697(17) 0.26464(19) 0.0192(5) Uani 1 1 d .
C21 C -0.4374(2) -0.4295(2) 0.2185(2) 0.0283(6) Uani 1 1 d .
H21 H -0.5049 -0.4244 0.1819 0.034 Uiso 1 1 calc R
C31 C -0.4417(2) -0.5155(2) 0.2260(2) 0.0316(6) Uani 1 1 d .
H31 H -0.5124 -0.5692 0.1953 0.038 Uiso 1 1 calc R
C41 C -0.3428(2) -0.52734(19) 0.2786(2) 0.0251(5) Uani 1 1 d .
C51 C -0.3472(2) -0.6195(2) 0.2805(2) 0.0320(6) Uani 1 1 d .
H51 H -0.4178 -0.6735 0.2494 0.038 Uiso 1 1 calc R
C61 C -0.2520(2) -0.6326(2) 0.3262(2) 0.0320(6) Uani 1 1 d .
H61 H -0.2562 -0.6955 0.3258 0.038 Uiso 1 1 calc R
C71 C -0.1480(2) -0.5526(2) 0.3735(2) 0.0316(6) Uani 1 1 d .
H71 H -0.0816 -0.5617 0.4052 0.038 Uiso 1 1 calc R
C81 C -0.1405(2) -0.4612(2) 0.3750(2) 0.0278(6) Uani 1 1 d .
H81 H -0.0690 -0.4075 0.4088 0.033 Uiso 1 1 calc R
C91 C -0.2380(2) -0.44588(18) 0.32664(19) 0.0208(5) Uani 1 1 d .
C101 C -0.23458(19) -0.35279(17) 0.32140(18) 0.0183(4) Uani 1 1 d .
C111 C -0.12967(19) -0.26536(17) 0.38223(18) 0.0180(4) Uani 1 1 d .
H111 H -0.0691 -0.2678 0.4326 0.022 Uiso 1 1 calc R
N121 N -0.11275(15) -0.18439(14) 0.37268(15) 0.0159(4) Uani 1 1 d .
O131 O -0.01091(13) -0.10413(11) 0.44930(12) 0.0162(3) Uani 1 1 d .
O12 O 0.18917(13) 0.04125(13) 0.51250(13) 0.0197(3) Uani 1 1 d .
C12 C 0.28080(19) 0.09028(18) 0.51112(18) 0.0188(4) Uani 1 1 d .
C22 C 0.3790(2) 0.0753(2) 0.5589(2) 0.0262(5) Uani 1 1 d .
H22 H 0.3760 0.0306 0.5879 0.031 Uiso 1 1 calc R
C32 C 0.4769(2) 0.1239(2) 0.5638(2) 0.0286(6) Uani 1 1 d .
H32 H 0.5412 0.1124 0.5958 0.034 Uiso 1 1 calc R
C42 C 0.4851(2) 0.19211(19) 0.5216(2) 0.0240(5) Uani 1 1 d .
C52 C 0.5869(2) 0.2426(2) 0.5267(2) 0.0297(6) Uani 1 1 d .
H52 H 0.6509 0.2303 0.5581 0.036 Uiso 1 1 calc R
C62 C 0.5951(2) 0.3086(2) 0.4874(2) 0.0343(6) Uani 1 1 d .
H62 H 0.6645 0.3431 0.4927 0.041 Uiso 1 1 calc R
C72 C 0.4997(2) 0.3251(2) 0.4390(2) 0.0347(6) Uani 1 1 d .
H72 H 0.5051 0.3707 0.4112 0.042 Uiso 1 1 calc R
C82 C 0.3992(2) 0.2763(2) 0.4315(2) 0.0299(6) Uani 1 1 d .
H82 H 0.3356 0.2878 0.3977 0.036 Uiso 1 1 calc R
C92 C 0.3886(2) 0.20870(19) 0.47358(19) 0.0222(5) Uani 1 1 d .
C102 C 0.28459(19) 0.15674(18) 0.46880(19) 0.0192(5) Uani 1 1 d .
C112 C 0.18855(19) 0.17936(18) 0.42630(19) 0.0197(5) Uani 1 1 d .
H112 H 0.2005 0.2386 0.4180 0.024 Uiso 1 1 calc R
N122 N 0.08788(16) 0.12398(15) 0.39905(15) 0.0171(4) Uani 1 1 d .
O132 O 0.00900(13) 0.16305(12) 0.37037(13) 0.0188(3) Uani 1 1 d .
O13 O -0.18572(14) 0.15204(12) 0.23823(13) 0.0208(3) Uani 1 1 d .
C13 C -0.24936(19) 0.12507(18) 0.13870(18) 0.0184(4) Uani 1 1 d .
C23 C -0.2332(2) 0.20328(19) 0.1098(2) 0.0229(5) Uani 1 1 d .
H23 H -0.1798 0.2705 0.1611 0.027 Uiso 1 1 calc R
C33 C -0.2932(2) 0.18279(19) 0.0100(2) 0.0240(5) Uani 1 1 d .
H33 H -0.2819 0.2363 -0.0072 0.029 Uiso 1 1 calc R
C43 C -0.3725(2) 0.08295(19) -0.06935(19) 0.0209(5) Uani 1 1 d .
C53 C -0.4290(2) 0.0605(2) -0.1751(2) 0.0259(5) Uani 1 1 d .
H53 H -0.4164 0.1138 -0.1925 0.031 Uiso 1 1 calc R
C63 C -0.5012(2) -0.0364(2) -0.2521(2) 0.0285(6) Uani 1 1 d .
H63 H -0.5375 -0.0509 -0.3228 0.034 Uiso 1 1 calc R
C73 C -0.5214(2) -0.1145(2) -0.2255(2) 0.0290(6) Uani 1 1 d .
H73 H -0.5717 -0.1821 -0.2789 0.035 Uiso 1 1 calc R
C83 C -0.4697(2) -0.09488(19) -0.1240(2) 0.0240(5) Uani 1 1 d .
H83 H -0.4859 -0.1488 -0.1080 0.029 Uiso 1 1 calc R
C93 C -0.39244(19) 0.00427(18) -0.04236(19) 0.0193(5) Uani 1 1 d .
C103 C -0.33207(19) 0.02713(18) 0.06494(18) 0.0178(4) Uani 1 1 d .
C113 C -0.36042(19) -0.04963(18) 0.09554(19) 0.0181(4) Uani 1 1 d .
H113 H -0.4303 -0.1063 0.0506 0.022 Uiso 1 1 calc R
N123 N -0.29454(15) -0.04432(15) 0.18159(15) 0.0173(4) Uani 1 1 d .
O133 O -0.33460(13) -0.11818(12) 0.20484(13) 0.0200(3) Uani 1 1 d .
N14 N -0.19705(17) -0.23729(15) 0.14116(16) 0.0226(4) Uani 1 1 d .
N24 N -0.25750(18) -0.32590(17) 0.08083(18) 0.0282(5) Uani 1 1 d .
N34 N -0.3145(2) -0.4105(2) 0.0245(3) 0.0550(8) Uani 1 1 d .
N15 N 0.06232(17) -0.10347(16) 0.28400(16) 0.0217(4) Uani 1 1 d .
N25 N 0.1307(2) -0.13884(18) 0.30531(18) 0.0310(5) Uani 1 1 d .
N35 N 0.1965(3) -0.1717(3) 0.3271(2) 0.0654(10) Uani 1 1 d .
N16 N -0.08895(17) -0.01100(16) 0.15260(16) 0.0214(4) Uani 1 1 d .
N26 N -0.05303(18) 0.04628(16) 0.12574(17) 0.0242(4) Uani 1 1 d .
N36 N -0.0180(2) 0.1037(2) 0.1015(2) 0.0420(6) Uani 1 1 d .
O17 O -0.19533(16) 0.10959(14) 0.40770(14) 0.0260(4) Uani 1 1 d D
H17 H -0.175(3) 0.0892(18) 0.4429(18) 0.042(5) Uiso 1 1 d D
C27 C -0.1749(3) 0.2129(2) 0.4696(2) 0.0377(7) Uani 1 1 d D
H27A H -0.1217 0.2572 0.4598 0.057 Uiso 1 1 calc R
H27B H -0.1437 0.2303 0.5435 0.057 Uiso 1 1 calc R
H27C H -0.2453 0.2227 0.4483 0.057 Uiso 1 1 calc R
O18 O -0.17537(17) -0.22303(15) -0.04723(15) 0.0304(4) Uani 1 1 d D
H18 H -0.191(2) -0.2776(16) -0.080(2) 0.042(5) Uiso 1 1 d D
C28 C -0.2674(3) -0.1991(3) -0.0890(3) 0.0500(9) Uani 1 1 d D
H28A H -0.3277 -0.2295 -0.0762 0.075 Uiso 1 1 calc R
H28B H -0.2943 -0.2263 -0.1645 0.075 Uiso 1 1 calc R
H28C H -0.2443 -0.1247 -0.0552 0.075 Uiso 1 1 calc R
O19 O 0.07839(18) -0.08500(16) 0.09728(17) 0.0347(5) Uani 1 1 d D
H19 H 0.066(2) -0.088(2) 0.0462(16) 0.042(5) Uiso 1 1 d D
C29 C 0.1830(3) -0.0018(3) 0.1742(3) 0.0521(9) Uani 1 1 d D
H29A H 0.1712 0.0618 0.1982 0.078 Uiso 1 1 calc R
H29B H 0.2339 0.0031 0.1434 0.078 Uiso 1 1 calc R
H29C H 0.2158 -0.0134 0.2337 0.078 Uiso 1 1 calc R
O110 O -0.02398(18) -0.29202(15) 0.06070(16) 0.0330(4) Uani 1 1 d D
H110 H -0.037(3) -0.3331(19) 0.073(2) 0.042(5) Uiso 1 1 d D
C210 C 0.0113(3) -0.3221(3) -0.0179(3) 0.0507(9) Uani 1 1 d D
H21A H -0.0424 -0.3264 -0.0815 0.076 Uiso 1 1 calc R
H21B H 0.0151 -0.3889 -0.0334 0.076 Uiso 1 1 calc R
H21C H 0.0853 -0.2715 0.0071 0.076 Uiso 1 1 calc R
O111 O 0.1566(3) 0.3066(2) 0.2884(3) 0.0728(8) Uani 1 1 d .
H11A H 0.1119 0.2543 0.2305 0.109 Uiso 1 1 calc R
C211 C 0.0968(4) 0.3623(4) 0.3255(4) 0.0773(14) Uani 1 1 d .
H21D H 0.1468 0.4175 0.3973 0.116 Uiso 1 1 calc R
H21E H 0.0341 0.3165 0.3244 0.116 Uiso 1 1 calc R
H21F H 0.0682 0.3912 0.2804 0.116 Uiso 1 1 calc R
O112 O -0.2793(3) -0.4298(2) -0.1626(2) 0.0653(8) Uani 1 1 d .
H11B H -0.2738 -0.4669 -0.1341 0.098 Uiso 1 1 calc R
C212 C -0.3139(4) -0.4876(3) -0.2685(3) 0.0769(14) Uani 1 1 d .
H21G H -0.3305 -0.4471 -0.3034 0.115 Uiso 1 1 calc R
H21H H -0.3812 -0.5487 -0.2989 0.115 Uiso 1 1 calc R
H21I H -0.2543 -0.5081 -0.2780 0.115 Uiso 1 1 calc R
O113 O -0.0756(2) -0.45636(17) 0.08288(18) 0.0411(5) Uani 1 1 d .
H11C H -0.1353 -0.4986 0.0282 0.062 Uiso 1 1 calc R
C213 C -0.0858(4) -0.4545(3) 0.1708(3) 0.0614(11) Uani 1 1 d .
H21J H -0.0192 -0.4002 0.2349 0.092 Uiso 1 1 calc R
H21K H -0.0930 -0.5205 0.1685 0.092 Uiso 1 1 calc R
H21L H -0.1523 -0.4416 0.1701 0.092 Uiso 1 1 calc R
O114 O -0.2609(2) -0.58630(19) -0.1023(2) 0.0574(7) Uani 1 1 d .
H114 H -0.3082 -0.6151 -0.0886 0.086 Uiso 1 1 calc R
C214 C -0.2420(3) -0.6618(3) -0.1745(3) 0.0572(10) Uani 1 1 d .
H21M H -0.1726 -0.6296 -0.1748 0.086 Uiso 1 1 calc R
H21N H -0.3047 -0.6936 -0.2449 0.086 Uiso 1 1 calc R
H21O H -0.2355 -0.7141 -0.1535 0.086 Uiso 1 1 calc R
O115 O -0.56122(17) -0.30347(17) 0.10004(18) 0.0404(5) Uani 1 1 d .
H115 H -0.4970 -0.2710 0.1515 0.061 Uiso 1 1 calc R
C215 C -0.5523(3) -0.3483(3) 0.0070(3) 0.0469(8) Uani 1 1 d .
H21P H -0.5078 -0.2947 -0.0004 0.070 Uiso 1 1 calc R
H21Q H -0.6272 -0.3853 -0.0532 0.070 Uiso 1 1 calc R
H21R H -0.5157 -0.3958 0.0100 0.070 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'
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 O11 167.60(8) . .
O1 Mn1 O133 92.61(7) . .
O11 Mn1 O133 88.06(7) . .
O1 Mn1 N121 88.24(7) . .
O11 Mn1 N121 88.54(7) . .
O133 Mn1 N121 167.80(8) . .
O1 Mn1 N14 93.61(7) . .
O11 Mn1 N14 98.61(8) . .
O133 Mn1 N14 96.97(8) . .
N121 Mn1 N14 95.12(8) . .
O1 Mn2 O12 173.68(7) . .
O1 Mn2 O131 89.37(6) . .
O12 Mn2 O131 90.33(7) . .
O1 Mn2 N122 89.76(7) . .
O12 Mn2 N122 89.10(7) . .
O131 Mn2 N122 166.90(8) . .
O1 Mn2 N15 92.93(7) . .
O12 Mn2 N15 93.38(7) . .
O131 Mn2 N15 95.35(7) . .
N122 Mn2 N15 97.74(8) . .
O1 Mn2 O131 86.07(6) . 2_556
O12 Mn2 O131 87.64(6) . 2_556
O131 Mn2 O131 82.16(6) . 2_556
N122 Mn2 O131 84.75(7) . 2_556
N15 Mn2 O131 177.32(7) . 2_556
O1 Mn2 Mn3 30.96(5) . .
O12 Mn2 Mn3 146.80(5) . .
O131 Mn2 Mn3 118.56(5) . .
N122 Mn2 Mn3 58.96(5) . .
N15 Mn2 Mn3 99.33(5) . .
O131 Mn2 Mn3 81.07(4) 2_556 .
O13 Mn3 O1 175.47(7) . .
O13 Mn3 O132 90.71(7) . .
O1 Mn3 O132 93.01(7) . .
O13 Mn3 N123 88.78(7) . .
O1 Mn3 N123 87.67(7) . .
O132 Mn3 N123 176.61(8) . .
O13 Mn3 O17 91.32(7) . .
O1 Mn3 O17 85.82(7) . .
O132 Mn3 O17 94.06(7) . .
N123 Mn3 O17 89.31(8) . .
O13 Mn3 N16 97.22(7) . .
O1 Mn3 N16 85.44(7) . .
O132 Mn3 N16 89.33(7) . .
N123 Mn3 N16 87.41(8) . .
O17 Mn3 N16 170.78(7) . .
O13 Mn3 Mn2 153.37(5) . .
O1 Mn3 Mn2 30.51(5) . .
O132 Mn3 Mn2 62.67(5) . .
N123 Mn3 Mn2 117.75(5) . .
O17 Mn3 Mn2 91.37(4) . .
N16 Mn3 Mn2 82.56(5) . .
O110 Mn4 O19 83.34(8) . .
O110 Mn4 N15 92.31(8) . .
O19 Mn4 N15 88.99(8) . .
O110 Mn4 N14 92.40(8) . .
O19 Mn4 N14 175.73(8) . .
N15 Mn4 N14 91.50(8) . .
O110 Mn4 O18 80.79(8) . .
O19 Mn4 O18 89.61(8) . .
N15 Mn4 O18 173.08(7) . .
N14 Mn4 O18 89.40(8) . .
O110 Mn4 N16 165.62(8) . .
O19 Mn4 N16 85.70(8) . .
N15 Mn4 N16 96.79(8) . .
N14 Mn4 N16 98.45(8) . .
O18 Mn4 N16 89.87(7) . .
Mn1 O1 Mn2 121.98(8) . .
Mn1 O1 Mn3 119.48(8) . .
Mn2 O1 Mn3 118.53(8) . .
C11 O11 Mn1 129.55(15) . .
O11 C11 C101 123.5(2) . .
O11 C11 C21 116.7(2) . .
C101 C11 C21 119.7(2) . .
C31 C21 C11 120.9(2) . .
C21 C31 C41 121.6(2) . .
C51 C41 C91 119.7(2) . .
C51 C41 C31 121.4(2) . .
C91 C41 C31 118.9(2) . .
C61 C51 C41 121.3(2) . .
C51 C61 C71 119.4(2) . .
C81 C71 C61 121.0(2) . .
C71 C81 C91 120.9(2) . .
C41 C91 C81 117.7(2) . .
C41 C91 C101 119.1(2) . .
C81 C91 C101 123.2(2) . .
C11 C101 C111 121.4(2) . .
C11 C101 C91 119.7(2) . .
C111 C101 C91 118.8(2) . .
N121 C111 C101 124.2(2) . .
C111 N121 O131 114.28(18) . .
C111 N121 Mn1 127.38(16) . .
O131 N121 Mn1 117.77(13) . .
N121 O131 Mn2 114.72(12) . .
N121 O131 Mn2 108.01(12) . 2_556
Mn2 O131 Mn2 97.84(6) . 2_556
C12 O12 Mn2 125.05(14) . .
O12 C12 C102 123.3(2) . .
O12 C12 C22 116.8(2) . .
C102 C12 C22 119.9(2) . .
C32 C22 C12 121.1(2) . .
C22 C32 C42 121.3(2) . .
C52 C42 C92 119.8(2) . .
C52 C42 C32 121.2(2) . .
C92 C42 C32 119.0(2) . .
C62 C52 C42 121.2(3) . .
C52 C62 C72 119.4(3) . .
C82 C72 C62 120.8(3) . .
C72 C82 C92 121.0(3) . .
C42 C92 C82 117.7(2) . .
C42 C92 C102 119.5(2) . .
C82 C92 C102 122.9(2) . .
C12 C102 C112 121.4(2) . .
C12 C102 C92 119.3(2) . .
C112 C102 C92 119.2(2) . .
N122 C112 C102 123.8(2) . .
C112 N122 O132 115.55(18) . .
C112 N122 Mn2 126.15(16) . .
O132 N122 Mn2 117.84(13) . .
N122 O132 Mn3 114.15(13) . .
C13 O13 Mn3 123.33(15) . .
O13 C13 C103 123.4(2) . .
O13 C13 C23 116.5(2) . .
C103 C13 C23 120.0(2) . .
C33 C23 C13 120.8(2) . .
C23 C33 C43 121.3(2) . .
C93 C43 C53 119.9(2) . .
C93 C43 C33 119.1(2) . .
C53 C43 C33 121.0(2) . .
C63 C53 C43 121.0(2) . .
C53 C63 C73 119.2(2) . .
C83 C73 C63 121.1(3) . .
C73 C83 C93 121.2(2) . .
C83 C93 C43 117.5(2) . .
C83 C93 C103 122.9(2) . .
C43 C93 C103 119.5(2) . .
C13 C103 C93 119.0(2) . .
C13 C103 C113 121.0(2) . .
C93 C103 C113 119.9(2) . .
N123 C113 C103 122.8(2) . .
C113 N123 O133 116.99(18) . .
C113 N123 Mn3 124.88(16) . .
O133 N123 Mn3 118.13(13) . .
N123 O133 Mn1 113.64(12) . .
N24 N14 Mn1 118.82(17) . .
N24 N14 Mn4 122.03(17) . .
Mn1 N14 Mn4 119.14(9) . .
N34 N24 N14 179.1(3) . .
N25 N15 Mn2 118.10(17) . .
N25 N15 Mn4 122.89(18) . .
Mn2 N15 Mn4 118.26(9) . .
N35 N25 N15 179.1(3) . .
N26 N16 Mn4 122.41(17) . .
N26 N16 Mn3 113.47(16) . .
Mn4 N16 Mn3 121.54(9) . .
N36 N26 N16 178.5(3) . .
C27 O17 Mn3 121.85(17) . .
C28 O18 Mn4 125.39(19) . .
C29 O19 Mn4 127.81(19) . .
C210 O110 Mn4 127.25(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 1.8625(15) .
Mn1 O11 1.8791(16) .
Mn1 O133 1.9089(16) .
Mn1 N121 1.9986(18) .
Mn1 N14 2.177(2) .
Mn2 O1 1.8655(15) .
Mn2 O12 1.8897(16) .
Mn2 O131 1.9536(15) .
Mn2 N122 1.9900(19) .
Mn2 N15 2.185(2) .
Mn2 O131 2.4017(16) 2_556
Mn2 Mn3 3.2282(5) .
Mn3 O13 1.8682(16) .
Mn3 O1 1.8902(15) .
Mn3 O132 1.9217(16) .
Mn3 N123 1.9832(19) .
Mn3 O17 2.2658(18) .
Mn3 N16 2.331(2) .
Mn4 O110 2.1965(19) .
Mn4 O19 2.203(2) .
Mn4 N15 2.203(2) .
Mn4 N14 2.212(2) .
Mn4 O18 2.2203(19) .
Mn4 N16 2.245(2) .
O11 C11 1.327(3) .
C11 C101 1.397(3) .
C11 C21 1.418(3) .
C21 C31 1.355(3) .
C31 C41 1.423(4) .
C41 C51 1.413(3) .
C41 C91 1.415(3) .
C51 C61 1.364(4) .
C61 C71 1.399(4) .
C71 C81 1.373(4) .
C81 C91 1.421(3) .
C91 C101 1.450(3) .
C101 C111 1.441(3) .
C111 N121 1.284(3) .
N121 O131 1.391(2) .
O131 Mn2 2.4017(16) 2_556
O12 C12 1.336(3) .
C12 C102 1.402(3) .
C12 C22 1.422(3) .
C22 C32 1.357(4) .
C32 C42 1.427(4) .
C42 C52 1.411(4) .
C42 C92 1.418(3) .
C52 C62 1.365(4) .
C62 C72 1.406(4) .
C72 C82 1.371(4) .
C82 C92 1.421(4) .
C92 C102 1.447(3) .
C102 C112 1.447(3) .
C112 N122 1.287(3) .
N122 O132 1.378(2) .
O13 C13 1.332(3) .
C13 C103 1.401(3) .
C13 C23 1.427(3) .
C23 C33 1.356(3) .
C33 C43 1.421(4) .
C43 C93 1.418(3) .
C43 C53 1.419(3) .
C53 C63 1.364(4) .
C63 C73 1.407(4) .
C73 C83 1.369(4) .
C83 C93 1.416(3) .
C93 C103 1.445(3) .
C103 C113 1.450(3) .
C113 N123 1.296(3) .
N123 O133 1.372(2) .
N14 N24 1.205(3) .
N24 N34 1.147(3) .
N15 N25 1.200(3) .
N25 N35 1.146(3) .
N16 N26 1.188(3) .
N26 N36 1.154(3) .
O17 C27 1.417(3) .
O18 C28 1.412(4) .
O19 C29 1.428(4) .
O110 C210 1.423(4) .
O111 C211 1.419(6) .
O112 C212 1.385(5) .
O113 C213 1.409(4) .
O114 C214 1.428(4) .
O115 C215 1.414(4) .
