#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:53:39 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179602 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/66/4506693.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_4506693
loop_
_publ_author_name
'Déniz, Mariadel'
'Hernández-Rodríguez, Irene'
'Pasán, Jorge'
'Fabelo, Oscar'
'Cañadillas-Delgado, Laura'
'Yuste, Consuelo'
'Julve, Miguel'
'Lloret, Francesc'
'Ruiz-Pérez, Catalina'
_publ_section_title
;
 Pillaring Role of 4,4′-Azobis(pyridine) in Substituted
 Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal
 Structures, and Magnetic Properties
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4505
_journal_paper_doi               10.1021/cg300670a
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C34 H40 Mn2 N8 O12'
_chemical_formula_weight         862.62
_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                92.85(3)
_cell_angle_beta                 114.30(3)
_cell_angle_gamma                112.22(3)
_cell_formula_units_Z            2
_cell_length_a                   12.947(3)
_cell_length_b                   13.527(3)
_cell_length_c                   14.019(3)
_cell_measurement_temperature    100(2)
_cell_volume                     2009.2(12)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_collection       'MxCube (ESRF, 2006)'
_computing_data_reduction        'HKL2000 (Otwinowski & Minor, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9.6
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Single-axis HUBER diffractometer'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_detector       'ADSC Q210r CCD (binned mode)'
_diffrn_radiation_monochromator  'Si 111'
_diffrn_radiation_wavelength     0.73800
_diffrn_reflns_av_R_equivalents  0.0464
_diffrn_reflns_av_sigmaI/netI    0.0532
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16837
_diffrn_reflns_theta_full        27.12
_diffrn_reflns_theta_max         27.12
_diffrn_reflns_theta_min         1.71
_diffrn_source                   synchrotron
_diffrn_source_type              'ESRF-CRG BM16'
_exptl_absorpt_coefficient_mu    0.697
_exptl_absorpt_correction_T_max  0.8619
_exptl_absorpt_correction_T_min  0.8614
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details
;
Interpolation using  Int.Tab. Vol. C (1992) p. 523,Tab. 6.3.3.3
for values of muR in the range 0-2.5, and Int.Tab. Vol.II (1959)
p.302; Table 5.3.6 B for muR in the range 2.6-10.0.
The interpolation procedure of C.W.Dwiggins Jr (Acta Cryst.(1975)
A31,146-148) is used with some modification.
;
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.625
_refine_diff_density_min         -1.377
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.258
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     511
_refine_ls_number_reflns         7749
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.258
_refine_ls_R_factor_all          0.1291
_refine_ls_R_factor_gt           0.1072
_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)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2967
_refine_ls_wR_factor_ref         0.3212
_reflns_number_gt                5416
_reflns_number_total             7749
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300670a_si_005.cif
_cod_data_source_block           sull344
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2009.2(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4506693
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 0.0000 0.5000 0.0000 0.0352(3) Uani 1 2 d S
Mn2 Mn 0.5000 0.5000 0.5000 0.0421(3) Uani 1 2 d S
Mn3 Mn 0.5000 1.5000 0.0000 0.0332(3) Uani 1 2 d S
Mn4 Mn 1.0000 1.5000 0.5000 0.0366(3) Uani 1 2 d S
O2W O 0.5804(4) 0.5060(4) 0.3921(3) 0.0764(12) Uani 1 1 d .
O1W O -0.0764(4) 0.5033(3) 0.1101(3) 0.0644(11) Uani 1 1 d .
N5 N 0.5148(4) 1.3382(3) 0.0290(3) 0.0414(8) Uani 1 1 d .
N3 N 0.4799(4) 0.6599(3) 0.4697(4) 0.0548(10) Uani 1 1 d .
O6 O 0.6626(3) 1.5900(2) 0.1588(2) 0.0478(8) Uani 1 1 d .
O3W O 0.3653(3) 1.4683(3) 0.0634(3) 0.0509(8) Uani 1 1 d .
O3 O 0.3154(3) 0.3971(3) 0.3672(2) 0.0472(8) Uani 1 1 d .
N1 N 0.1787(4) 0.6585(3) 0.1095(3) 0.0480(9) Uani 1 1 d .
O4W O 1.1026(3) 1.4685(3) 0.4224(3) 0.0518(8) Uani 1 1 d .
N7 N 0.8237(4) 1.3400(3) 0.3922(3) 0.0448(9) Uani 1 1 d .
O8 O 0.9330(3) 1.5933(3) 0.3849(2) 0.0502(8) Uani 1 1 d .
O2 O 0.0815(3) 0.3978(2) 0.0822(2) 0.0448(7) Uani 1 1 d .
C32 C 0.5998(5) 1.2375(4) 0.3026(4) 0.0532(12) Uani 1 1 d .
H32 H 0.5214 1.2383 0.2750 0.064 Uiso 1 1 calc R
C13 C 0.1710(5) 0.7548(4) 0.1228(4) 0.0603(14) Uani 1 1 d .
H13 H 0.0918 0.7530 0.0997 0.072 Uiso 1 1 calc R
C31 C 0.7109(5) 1.3354(4) 0.3516(4) 0.0488(11) Uani 1 1 d .
H31 H 0.7041 1.4014 0.3555 0.059 Uiso 1 1 calc R
C12 C 0.2754(5) 0.8554(4) 0.1691(5) 0.0599(14) Uani 1 1 d .
H12 H 0.2668 0.9202 0.1761 0.072 Uiso 1 1 calc R
C30 C 0.6231(5) 1.3350(4) 0.0653(4) 0.0486(11) Uani 1 1 d .
H30 H 0.6952 1.4016 0.0923 0.058 Uiso 1 1 calc R
C29 C 0.6383(5) 1.2388(4) 0.0663(4) 0.0517(12) Uani 1 1 d .
H29 H 0.7179 1.2407 0.0938 0.062 Uiso 1 1 calc R
N8 N 0.4954(4) 1.0419(3) 0.2483(4) 0.0567(11) Uani 1 1 d .
N2 N 0.5081(4) 0.9575(3) 0.2537(4) 0.0576(11) Uani 1 1 d .
C34 C 0.7288(5) 1.1427(4) 0.3360(4) 0.0573(13) Uani 1 1 d .
H34 H 0.7385 1.0783 0.3312 0.069 Uiso 1 1 calc R
C26 C 0.4124(5) 1.2427(4) -0.0067(4) 0.0522(12) Uani 1 1 d .
H26 H 0.3349 1.2445 -0.0300 0.063 Uiso 1 1 calc R
C10 C 0.4025(5) 0.7598(4) 0.1961(4) 0.0532(12) Uani 1 1 d .
H10 H 0.4807 0.7587 0.2225 0.064 Uiso 1 1 calc R
C33 C 0.6096(4) 1.1397(4) 0.2964(4) 0.0471(11) Uani 1 1 d .
C9 C 0.2927(5) 0.6636(4) 0.1472(4) 0.0508(11) Uani 1 1 d .
H9 H 0.2994 0.5978 0.1402 0.061 Uiso 1 1 calc R
C11 C 0.3938(5) 0.8576(4) 0.2051(4) 0.0481(11) Uani 1 1 d .
C28 C 0.5308(5) 1.1401(4) 0.0251(4) 0.0470(11) Uani 1 1 d .
C35 C 0.8320(5) 1.2442(4) 0.3825(4) 0.0537(12) Uani 1 1 d .
H35 H 0.9118 1.2465 0.4086 0.064 Uiso 1 1 calc R
C2 C 0.1416(4) 0.2843(3) 0.1980(3) 0.0402(9) Uani 1 1 d .
C27 C 0.4138(5) 1.1415(4) -0.0113(4) 0.0544(12) Uani 1 1 d .
H27 H 0.3398 1.0767 -0.0376 0.065 Uiso 1 1 calc R
N6 N 0.5483(4) 1.0418(3) 0.0248(4) 0.0560(11) Uani 1 1 d .
C1 C 0.0822(4) 0.3636(3) 0.1630(3) 0.0439(10) Uani 1 1 d .
O1 O 0.0366(5) 0.3917(4) 0.2171(3) 0.0953(17) Uani 1 1 d .
C17 C 0.3573(6) 0.7613(4) 0.4340(5) 0.0578(13) Uani 1 1 d .
H17 H 0.2783 0.7605 0.4071 0.069 Uiso 1 1 calc R
C18 C 0.3711(6) 0.6638(4) 0.4345(5) 0.0600(14) Uani 1 1 d .
H18 H 0.2987 0.5976 0.4082 0.072 Uiso 1 1 calc R
N4 N 0.4521(5) 0.9586(3) 0.4763(4) 0.0649(13) Uani 1 1 d .
C16 C 0.4662(6) 0.8590(4) 0.4751(4) 0.0562(13) Uani 1 1 d .
C15 C 0.5824(6) 0.8558(4) 0.5079(5) 0.0718(16) Uani 1 1 d .
H15 H 0.6566 0.9199 0.5315 0.086 Uiso 1 1 calc R
C14 C 0.5827(6) 0.7547(4) 0.5039(5) 0.0702(16) Uani 1 1 d .
H14 H 0.6598 0.7521 0.5267 0.084 Uiso 1 1 calc R
C4 C 0.0849(4) 0.2140(4) 0.2634(4) 0.0514(11) Uani 1 1 d .
H4A H 0.1325 0.1728 0.2939 0.062 Uiso 1 1 calc R
H4B H 0.0954 0.2632 0.3229 0.062 Uiso 1 1 calc R
O4 O 0.3566(4) 0.3822(4) 0.2312(3) 0.0855(14) Uani 1 1 d .
C3 C 0.2827(4) 0.3612(4) 0.2716(4) 0.0455(10) Uani 1 1 d .
C5 C -0.0540(6) 0.1335(6) 0.1992(6) 0.0789(17) Uani 1 1 d .
H5A H -0.0813 0.0935 0.2457 0.118 Uiso 1 1 calc R
H5B H -0.0655 0.0828 0.1411 0.118 Uiso 1 1 calc R
H5C H -0.1028 0.1733 0.1703 0.118 Uiso 1 1 calc R
C6 C 0.1236(5) 0.2131(4) 0.0976(4) 0.0532(12) Uani 1 1 d .
H6A H 0.0344 0.1753 0.0473 0.064 Uiso 1 1 calc R
H6B H 0.1650 0.2612 0.0623 0.064 Uiso 1 1 calc R
C20 C 0.8594(5) 1.7193(3) 0.3017(3) 0.0435(10) Uani 1 1 d .
C24 C 0.9938(5) 1.7923(4) 0.3203(4) 0.0655(14) Uani 1 1 d .
H24B H 1.0459 1.8278 0.3967 0.079 Uiso 1 1 calc R
H24A H 1.0269 1.7446 0.3027 0.079 Uiso 1 1 calc R
C21 C 0.8670(4) 1.6433(3) 0.3795(3) 0.0438(10) Uani 1 1 d .
C22 C 0.7896(6) 1.7857(4) 0.3166(4) 0.0659(14) Uani 1 1 d .
H22B H 0.7683 1.8193 0.2562 0.079 Uiso 1 1 calc R
H22A H 0.7112 1.7343 0.3133 0.079 Uiso 1 1 calc R
C23 C 0.8610(9) 1.8751(6) 0.4202(6) 0.110(3) Uani 1 1 d .
H23B H 0.8105 1.9117 0.4209 0.165 Uiso 1 1 calc R
H23C H 0.9385 1.9275 0.4244 0.165 Uiso 1 1 calc R
H23A H 0.8792 1.8428 0.4809 0.165 Uiso 1 1 calc R
C7 C 0.1751(7) 0.1279(6) 0.1222(6) 0.083(2) Uani 1 1 d .
H7A H 0.1610 0.0872 0.0564 0.125 Uiso 1 1 calc R
H7B H 0.1329 0.0783 0.1551 0.125 Uiso 1 1 calc R
H7C H 0.2639 0.1645 0.1707 0.125 Uiso 1 1 calc R
O5 O 0.8274(4) 1.6400(3) 0.1289(3) 0.0657(10) Uani 1 1 d .
O7 O 0.8123(4) 1.6383(4) 0.4354(3) 0.0732(12) Uani 1 1 d .
C19 C 0.7762(5) 1.6425(3) 0.1875(3) 0.0414(10) Uani 1 1 d .
C25 C 1.0093(8) 1.8806(5) 0.2583(6) 0.101(3) Uani 1 1 d .
H25C H 1.0965 1.9197 0.2759 0.152 Uiso 1 1 calc R
H25B H 0.9810 1.9310 0.2773 0.152 Uiso 1 1 calc R
H25A H 0.9601 1.8471 0.1822 0.152 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
O2 Mn1 O2 180.00(9) 2_565 .
O2 Mn1 O1W 90.53(12) 2_565 .
O2 Mn1 O1W 89.47(12) . .
O2 Mn1 O1W 89.47(12) 2_565 2_565
O2 Mn1 O1W 90.53(12) . 2_565
O1W Mn1 O1W 180.0 . 2_565
O2 Mn1 N1 87.89(13) 2_565 .
O2 Mn1 N1 92.11(13) . .
O1W Mn1 N1 90.88(16) . .
O1W Mn1 N1 89.12(16) 2_565 .
O2 Mn1 N1 92.11(13) 2_565 2_565
O2 Mn1 N1 87.89(13) . 2_565
O1W Mn1 N1 89.12(16) . 2_565
O1W Mn1 N1 90.88(16) 2_565 2_565
N1 Mn1 N1 180.000(1) . 2_565
O2W Mn2 O2W 180.000(1) 2_666 .
O2W Mn2 O3 89.39(14) 2_666 2_666
O2W Mn2 O3 90.61(14) . 2_666
O2W Mn2 O3 90.61(14) 2_666 .
O2W Mn2 O3 89.39(14) . .
O3 Mn2 O3 180.0 2_666 .
O2W Mn2 N3 88.68(18) 2_666 .
O2W Mn2 N3 91.32(18) . .
O3 Mn2 N3 87.41(14) 2_666 .
O3 Mn2 N3 92.59(14) . .
O2W Mn2 N3 91.32(18) 2_666 2_666
O2W Mn2 N3 88.68(18) . 2_666
O3 Mn2 N3 92.59(14) 2_666 2_666
O3 Mn2 N3 87.41(14) . 2_666
N3 Mn2 N3 180.000(1) . 2_666
O3W Mn3 O3W 180.00(11) 2_685 .
O3W Mn3 O6 87.02(13) 2_685 .
O3W Mn3 O6 92.98(13) . .
O3W Mn3 O6 92.98(13) 2_685 2_685
O3W Mn3 O6 87.02(13) . 2_685
O6 Mn3 O6 180.00(17) . 2_685
O3W Mn3 N5 91.35(13) 2_685 2_685
O3W Mn3 N5 88.65(13) . 2_685
O6 Mn3 N5 89.85(13) . 2_685
O6 Mn3 N5 90.15(13) 2_685 2_685
O3W Mn3 N5 88.65(13) 2_685 .
O3W Mn3 N5 91.35(13) . .
O6 Mn3 N5 90.15(13) . .
O6 Mn3 N5 89.85(13) 2_685 .
N5 Mn3 N5 180.000(1) 2_685 .
O4W Mn4 O4W 180.000(1) 2_786 .
O4W Mn4 O8 92.16(12) 2_786 2_786
O4W Mn4 O8 87.84(12) . 2_786
O4W Mn4 O8 87.84(12) 2_786 .
O4W Mn4 O8 92.16(12) . .
O8 Mn4 O8 180.000(1) 2_786 .
O4W Mn4 N7 91.02(14) 2_786 2_786
O4W Mn4 N7 88.98(14) . 2_786
O8 Mn4 N7 90.74(14) 2_786 2_786
O8 Mn4 N7 89.26(14) . 2_786
O4W Mn4 N7 88.98(14) 2_786 .
O4W Mn4 N7 91.02(14) . .
O8 Mn4 N7 89.26(14) 2_786 .
O8 Mn4 N7 90.74(14) . .
N7 Mn4 N7 180.000(1) 2_786 .
C30 N5 C26 117.4(4) . .
C30 N5 Mn3 120.3(3) . .
C26 N5 Mn3 121.4(3) . .
C18 N3 C14 117.7(4) . .
C18 N3 Mn2 121.9(3) . .
C14 N3 Mn2 119.6(4) . .
C19 O6 Mn3 132.1(3) . .
C3 O3 Mn2 130.7(3) . .
C9 N1 C13 117.0(4) . .
C9 N1 Mn1 122.2(3) . .
C13 N1 Mn1 119.9(3) . .
C31 N7 C35 117.3(4) . .
C31 N7 Mn4 121.6(3) . .
C35 N7 Mn4 120.4(3) . .
C21 O8 Mn4 130.9(3) . .
C1 O2 Mn1 131.0(3) . .
C33 C32 C31 118.1(5) . .
N1 C13 C12 122.9(5) . .
N7 C31 C32 124.0(5) . .
C13 C12 C11 118.4(5) . .
N5 C30 C29 124.3(5) . .
C28 C29 C30 117.6(5) . .
N2 N8 C33 114.7(5) . .
N8 N2 C11 115.6(5) . .
C35 C34 C33 118.0(5) . .
N5 C26 C27 124.3(5) . .
C11 C10 C9 118.3(5) . .
C32 C33 C34 118.9(4) . .
C32 C33 N8 116.7(5) . .
C34 C33 N8 124.4(4) . .
N1 C9 C10 124.3(4) . .
C10 C11 C12 119.0(4) . .
C10 C11 N2 118.1(5) . .
C12 C11 N2 122.9(4) . .
C29 C28 C27 119.1(4) . .
C29 C28 N6 116.7(5) . .
C27 C28 N6 124.2(5) . .
N7 C35 C34 123.6(5) . .
C1 C2 C3 103.9(3) . .
C1 C2 C6 109.5(3) . .
C3 C2 C6 110.6(4) . .
C1 C2 C4 110.0(4) . .
C3 C2 C4 110.0(3) . .
C6 C2 C4 112.5(4) . .
C26 C27 C28 117.2(5) . .
N6 N6 C28 114.1(5) 2_675 .
O2 C1 O1 122.6(4) . .
O2 C1 C2 118.5(4) . .
O1 C1 C2 118.9(4) . .
C16 C17 C18 117.2(5) . .
N3 C18 C17 124.0(5) . .
N4 N4 C16 115.5(7) 2_676 .
C17 C16 C15 119.3(5) . .
C17 C16 N4 117.1(5) . .
C15 C16 N4 123.5(5) . .
C14 C15 C16 117.5(6) . .
N3 C14 C15 124.2(6) . .
C5 C4 C2 115.0(4) . .
O3 C3 O4 124.3(5) . .
O3 C3 C2 117.3(4) . .
O4 C3 C2 118.4(4) . .
C7 C6 C2 114.2(4) . .
C21 C20 C24 108.5(4) . .
C21 C20 C19 105.7(3) . .
C24 C20 C19 111.8(4) . .
C21 C20 C22 109.8(4) . .
C24 C20 C22 113.6(4) . .
C19 C20 C22 107.1(4) . .
C25 C24 C20 117.3(5) . .
O7 C21 O8 124.5(4) . .
O7 C21 C20 118.5(4) . .
O8 C21 C20 116.9(4) . .
C23 C22 C20 116.1(6) . .
O6 C19 O5 124.5(4) . .
O6 C19 C20 117.4(4) . .
O5 C19 C20 118.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O2 2.148(3) 2_565
Mn1 O2 2.148(3) .
Mn1 O1W 2.155(3) .
Mn1 O1W 2.155(3) 2_565
Mn1 N1 2.303(4) .
Mn1 N1 2.303(4) 2_565
Mn2 O2W 2.150(4) 2_666
Mn2 O2W 2.150(4) .
Mn2 O3 2.163(3) 2_666
Mn2 O3 2.163(3) .
Mn2 N3 2.314(4) .
Mn2 N3 2.314(4) 2_666
Mn3 O3W 2.183(3) 2_685
Mn3 O3W 2.183(3) .
Mn3 O6 2.192(3) .
Mn3 O6 2.192(3) 2_685
Mn3 N5 2.309(3) 2_685
Mn3 N5 2.309(3) .
Mn4 O4W 2.168(3) 2_786
Mn4 O4W 2.168(3) .
Mn4 O8 2.197(3) 2_786
Mn4 O8 2.197(3) .
Mn4 N7 2.297(4) 2_786
Mn4 N7 2.297(4) .
N5 C30 1.300(6) .
N5 C26 1.331(6) .
N3 C18 1.310(7) .
N3 C14 1.330(7) .
O6 C19 1.234(6) .
O3 C3 1.235(5) .
N1 C9 1.319(6) .
N1 C13 1.353(6) .
N7 C31 1.305(6) .
N7 C35 1.346(6) .
O8 C21 1.258(6) .
O2 C1 1.242(5) .
C32 C33 1.378(7) .
C32 C31 1.397(7) .
C13 C12 1.377(7) .
C12 C11 1.390(8) .
C30 C29 1.388(6) .
C29 C28 1.382(7) .
N8 N2 1.216(7) .
N8 C33 1.415(6) .
N2 C11 1.431(6) .
C34 C35 1.379(7) .
C34 C33 1.392(8) .
C26 C27 1.374(6) .
C10 C11 1.373(7) .
C10 C9 1.377(7) .
C28 C27 1.393(8) .
C28 N6 1.431(5) .
C2 C1 1.533(5) .
C2 C3 1.545(7) .
C2 C6 1.546(6) .
C2 C4 1.548(6) .
N6 N6 1.210(9) 2_675
C1 O1 1.256(6) .
C17 C16 1.383(8) .
C17 C18 1.396(7) .
N4 N4 1.197(10) 2_676
N4 C16 1.427(6) .
C16 C15 1.400(9) .
C15 C14 1.367(7) .
C4 C5 1.523(7) .
O4 C3 1.253(6) .
C6 C7 1.524(7) .
C20 C21 1.535(5) .
C20 C24 1.540(7) .
C20 C19 1.540(6) .
C20 C22 1.554(7) .
C24 C25 1.513(7) .
C21 O7 1.244(6) .
C22 C23 1.517(8) .
O5 C19 1.256(5) .
