#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:21:48 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180009 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/03/7030355.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_7030355
loop_
_publ_author_name
'Lou, Yongbing'
'Wang, Jingjing'
'Tao, Yinhua'
'Chen, Jinxi'
'Mishima, Akio'
'Ohba, Masaaki'
_publ_section_title
;
 Structure modulation of manganese coordination polymers consisting of
 1,4-naphthalene dicarboxylate and 1,10-phenanthroline.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8508
_journal_page_last               8514
_journal_paper_doi               10.1039/c4dt00388h
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C48 H30 Mn2 N4 O9'
_chemical_formula_weight         916.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 108.495(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   41.903(15)
_cell_length_b                   13.478(5)
_cell_length_c                   15.042(6)
_cell_measurement_reflns_used    907
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.052
_cell_measurement_theta_min      3.075
_cell_volume                     8056(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0418
_diffrn_reflns_av_unetI/netI     0.0540
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16217
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    0.693
_exptl_absorpt_correction_T_max  0.9466
_exptl_absorpt_correction_T_min  0.9031
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3744
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.255
_refine_diff_density_min         -0.289
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.898
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     576
_refine_ls_number_reflns         7089
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.901
_refine_ls_R_factor_all          0.0541
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0306P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0671
_refine_ls_wR_factor_ref         0.0722
_reflns_number_gt                4840
_reflns_number_total             7089
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00388h2.cif
_cod_data_source_block           Mn1_967174
_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.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7030353--7030355.cif.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7030355
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'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 0.172144(8) 0.21975(2) 0.65117(2) 0.03414(10) Uani 1 1 d U
Mn2 Mn 0.082590(8) 0.22502(2) 0.58476(2) 0.03377(10) Uani 1 1 d .
N1 N 0.22452(5) 0.28133(14) 0.70175(13) 0.0418(5) Uani 1 1 d .
N2 N 0.20193(5) 0.13514(13) 0.57447(13) 0.0384(5) Uani 1 1 d .
N3 N 0.03831(5) 0.31488(14) 0.59504(12) 0.0382(5) Uani 1 1 d .
N4 N 0.04390(4) 0.11620(13) 0.59946(12) 0.0358(4) Uani 1 1 d .
O1 O 0.17296(4) 0.08680(12) 0.73997(12) 0.0548(5) Uani 1 1 d .
O2 O 0.12710(4) 0.10921(10) 0.62020(11) 0.0394(4) Uani 1 1 d U
O3 O 0.05361(4) -0.27524(13) 0.82195(12) 0.0550(5) Uani 1 1 d .
O4 O 0.07409(5) -0.18210(13) 0.94797(11) 0.0592(5) Uani 1 1 d .
O5 O 0.15414(4) 0.32392(12) 0.54661(12) 0.0560(5) Uani 1 1 d .
O6 O 0.10347(4) 0.36266(12) 0.55464(12) 0.0520(5) Uani 1 1 d .
O7 O 0.15998(4) 0.69603(12) 0.25364(12) 0.0549(5) Uani 1 1 d .
O8 O 0.10666(4) 0.74011(11) 0.23226(10) 0.0423(4) Uani 1 1 d .
O9 O 0.00798(6) 0.28992(15) 0.12998(17) 0.0668(6) Uani 1 1 d D
C1 C 0.23463(7) 0.35758(19) 0.75922(18) 0.0581(7) Uani 1 1 d .
H1 H 0.2197 0.3848 0.7869 0.070 Uiso 1 1 calc R
C2 C 0.26639(8) 0.3985(2) 0.7799(2) 0.0770(10) Uani 1 1 d .
H2 H 0.2723 0.4535 0.8190 0.092 Uiso 1 1 calc R
C3 C 0.28873(8) 0.3577(3) 0.7427(2) 0.0792(10) Uani 1 1 d .
H3 H 0.3103 0.3840 0.7570 0.095 Uiso 1 1 calc R
C4 C 0.27950(6) 0.2759(2) 0.6825(2) 0.0588(7) Uani 1 1 d .
C5 C 0.30134(7) 0.2284(3) 0.6403(3) 0.0857(11) Uani 1 1 d .
H5 H 0.3234 0.2505 0.6545 0.103 Uiso 1 1 calc R
C6 C 0.29095(8) 0.1527(3) 0.5808(3) 0.0827(11) Uani 1 1 d .
H6 H 0.3060 0.1223 0.5553 0.099 Uiso 1 1 calc R
C7 C 0.25692(7) 0.1177(2) 0.5557(2) 0.0601(8) Uani 1 1 d .
C8 C 0.24378(9) 0.0423(2) 0.4911(2) 0.0801(10) Uani 1 1 d .
H8 H 0.2578 0.0096 0.4637 0.096 Uiso 1 1 calc R
C9 C 0.21085(9) 0.0157(2) 0.4674(2) 0.0755(9) Uani 1 1 d .
H9 H 0.2021 -0.0334 0.4230 0.091 Uiso 1 1 calc R
C10 C 0.19061(7) 0.06423(18) 0.51167(17) 0.0542(7) Uani 1 1 d .
H10 H 0.1681 0.0458 0.4963 0.065 Uiso 1 1 calc R
C11 C 0.23468(6) 0.16193(17) 0.59639(16) 0.0405(6) Uani 1 1 d .
C12 C 0.24644(5) 0.24159(17) 0.66224(16) 0.0406(6) Uani 1 1 d .
C13 C 0.14303(6) 0.06541(16) 0.69596(17) 0.0386(6) Uani 1 1 d .
C14 C 0.12587(5) -0.01046(16) 0.73725(15) 0.0360(5) Uani 1 1 d .
C15 C 0.11754(5) -0.10608(16) 0.69668(15) 0.0339(5) Uani 1 1 d .
C16 C 0.12538(6) -0.13431(18) 0.61559(17) 0.0462(6) Uani 1 1 d .
H16 H 0.1355 -0.0885 0.5869 0.055 Uiso 1 1 calc R
C17 C 0.11849(7) -0.2261(2) 0.5788(2) 0.0623(8) Uani 1 1 d .
H17 H 0.1237 -0.2432 0.5252 0.075 Uiso 1 1 calc R
C18 C 0.10338(7) -0.29547(19) 0.6222(2) 0.0669(8) Uani 1 1 d .
H18 H 0.0992 -0.3593 0.5979 0.080 Uiso 1 1 calc R
C19 C 0.09474(6) -0.27136(18) 0.69879(18) 0.0499(6) Uani 1 1 d .
H19 H 0.0844 -0.3187 0.7255 0.060 Uiso 1 1 calc R
C20 C 0.10105(5) -0.17561(16) 0.73916(15) 0.0339(5) Uani 1 1 d .
C21 C 0.09248(5) -0.14546(16) 0.81992(15) 0.0334(5) Uani 1 1 d .
C22 C 0.10179(6) -0.05355(17) 0.85696(16) 0.0411(6) Uani 1 1 d .
H22 H 0.0969 -0.0351 0.9108 0.049 Uiso 1 1 calc R
C23 C 0.11842(6) 0.01354(17) 0.81667(16) 0.0441(6) Uani 1 1 d .
H23 H 0.1245 0.0754 0.8442 0.053 Uiso 1 1 calc R
C24 C 0.07198(6) -0.20763(17) 0.86631(17) 0.0405(6) Uani 1 1 d .
C25 C 0.12865(6) 0.37913(17) 0.53074(16) 0.0410(6) Uani 1 1 d .
C26 C 0.12891(5) 0.47071(15) 0.47328(16) 0.0352(5) Uani 1 1 d .
C27 C 0.15578(5) 0.54002(15) 0.50013(15) 0.0332(5) Uani 1 1 d .
C28 C 0.18017(6) 0.53956(18) 0.59058(17) 0.0489(6) Uani 1 1 d .
H28 H 0.1790 0.4913 0.6336 0.059 Uiso 1 1 calc R
C29 C 0.20506(7) 0.6080(2) 0.61543(19) 0.0611(8) Uani 1 1 d .
H29 H 0.2207 0.6069 0.6753 0.073 Uiso 1 1 calc R
C30 C 0.20734(7) 0.6807(2) 0.5510(2) 0.0610(8) Uani 1 1 d .
H30 H 0.2248 0.7267 0.5681 0.073 Uiso 1 1 calc R
C31 C 0.18445(6) 0.68455(17) 0.46415(18) 0.0476(6) Uani 1 1 d .
H31 H 0.1864 0.7334 0.4225 0.057 Uiso 1 1 calc R
C32 C 0.15760(5) 0.61537(15) 0.43566(15) 0.0339(5) Uani 1 1 d .
C33 C 0.13175(5) 0.62074(15) 0.34766(15) 0.0337(5) Uani 1 1 d .
C34 C 0.10518(6) 0.55702(16) 0.32828(16) 0.0419(6) Uani 1 1 d .
H34 H 0.0876 0.5641 0.2725 0.050 Uiso 1 1 calc R
C35 C 0.10380(6) 0.48113(16) 0.39053(16) 0.0418(6) Uani 1 1 d .
H35 H 0.0856 0.4377 0.3752 0.050 Uiso 1 1 calc R
C36 C 0.13297(6) 0.69223(16) 0.27226(16) 0.0380(6) Uani 1 1 d .
C37 C 0.03607(7) 0.41296(18) 0.59474(17) 0.0513(7) Uani 1 1 d .
H37 H 0.0531 0.4498 0.5831 0.062 Uiso 1 1 calc R
C38 C 0.00955(8) 0.4635(2) 0.61092(19) 0.0652(8) Uani 1 1 d .
H38 H 0.0091 0.5325 0.6115 0.078 Uiso 1 1 calc R
C39 C -0.01559(8) 0.4105(3) 0.6258(2) 0.0716(9) Uani 1 1 d .
H39 H -0.0337 0.4434 0.6358 0.086 Uiso 1 1 calc R
C40 C -0.01487(6) 0.3066(2) 0.62642(17) 0.0545(7) Uani 1 1 d .
C41 C -0.03998(7) 0.2459(3) 0.6427(2) 0.0742(9) Uani 1 1 d .
H41 H -0.0586 0.2754 0.6529 0.089 Uiso 1 1 calc R
C42 C -0.03760(7) 0.1475(3) 0.6436(2) 0.0739(9) Uani 1 1 d .
H42 H -0.0546 0.1097 0.6544 0.089 Uiso 1 1 calc R
C43 C -0.00951(6) 0.0986(2) 0.62840(17) 0.0524(7) Uani 1 1 d .
C44 C -0.00561(8) -0.0044(2) 0.62845(19) 0.0656(8) Uani 1 1 d .
H44 H -0.0219 -0.0453 0.6389 0.079 Uiso 1 1 calc R
C45 C 0.02182(8) -0.0450(2) 0.61341(18) 0.0631(8) Uani 1 1 d .
H45 H 0.0245 -0.1135 0.6131 0.076 Uiso 1 1 calc R
C46 C 0.04599(6) 0.01828(18) 0.59846(16) 0.0488(6) Uani 1 1 d .
H46 H 0.0646 -0.0099 0.5872 0.059 Uiso 1 1 calc R
C47 C 0.01622(5) 0.15624(18) 0.61311(15) 0.0380(6) Uani 1 1 d .
C48 C 0.01316(5) 0.26205(18) 0.61102(15) 0.0388(6) Uani 1 1 d .
H9A H -0.0123(5) 0.288(2) 0.135(2) 0.099(13) Uiso 1 1 d D
H9B H 0.0218(8) 0.286(2) 0.188(2) 0.098(13) 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
O5 Mn1 O7 94.38(7) . 6_566
O5 Mn1 O1 159.38(7) . .
O7 Mn1 O1 87.47(7) 6_566 .
O5 Mn1 N1 95.08(7) . .
O7 Mn1 N1 89.44(7) 6_566 .
O1 Mn1 N1 105.48(7) . .
O5 Mn1 N2 94.69(7) . .
O7 Mn1 N2 161.53(7) 6_566 .
O1 Mn1 N2 89.67(7) . .
N1 Mn1 N2 73.75(7) . .
O5 Mn1 O2 101.85(7) . .
O7 Mn1 O2 97.01(6) 6_566 .
O1 Mn1 O2 57.58(6) . .
N1 Mn1 O2 161.32(6) . .
N2 Mn1 O2 96.82(6) . .
O5 Mn1 C13 130.70(8) . .
O7 Mn1 C13 89.95(7) 6_566 .
O1 Mn1 C13 28.68(6) . .
N1 Mn1 C13 134.11(7) . .
N2 Mn1 C13 96.25(7) . .
O2 Mn1 C13 29.11(6) . .
O4 Mn2 O6 89.13(7) 6 .
O4 Mn2 O8 163.21(7) 6 6_566
O6 Mn2 O8 86.61(6) . 6_566
O4 Mn2 N4 90.77(7) 6 .
O6 Mn2 N4 159.02(7) . .
O8 Mn2 N4 98.97(6) 6_566 .
O4 Mn2 N3 109.48(7) 6 .
O6 Mn2 N3 87.14(7) . .
O8 Mn2 N3 86.54(6) 6_566 .
N4 Mn2 N3 73.13(7) . .
O4 Mn2 O2 85.04(6) 6 .
O6 Mn2 O2 105.77(6) . .
O8 Mn2 O2 80.51(6) 6_566 .
N4 Mn2 O2 95.12(6) . .
N3 Mn2 O2 161.00(6) . .
C1 N1 C12 118.2(2) . .
C1 N1 Mn1 125.84(18) . .
C12 N1 Mn1 115.61(15) . .
C10 N2 C11 118.2(2) . .
C10 N2 Mn1 126.79(17) . .
C11 N2 Mn1 114.99(15) . .
C37 N3 C48 117.8(2) . .
C37 N3 Mn2 126.34(17) . .
C48 N3 Mn2 115.58(15) . .
C46 N4 C47 117.6(2) . .
C46 N4 Mn2 126.66(16) . .
C47 N4 Mn2 115.75(14) . .
C13 O1 Mn1 92.63(14) . .
C13 O2 Mn1 87.47(13) . .
C13 O2 Mn2 131.58(14) . .
Mn1 O2 Mn2 98.87(6) . .
C24 O4 Mn2 147.19(16) . 6_556
C25 O5 Mn1 128.94(15) . .
C25 O6 Mn2 130.87(16) . .
C36 O7 Mn1 129.31(15) . 6_565
C36 O8 Mn2 130.73(14) . 6_565
H9A O9 H9B 105(3) . .
N1 C1 C2 122.9(3) . .
N1 C1 H1 118.6 . .
C2 C1 H1 118.6 . .
C3 C2 C1 119.3(3) . .
C3 C2 H2 120.4 . .
C1 C2 H2 120.4 . .
C2 C3 C4 120.2(3) . .
C2 C3 H3 119.9 . .
C4 C3 H3 119.9 . .
C12 C4 C3 116.9(3) . .
C12 C4 C5 119.1(3) . .
C3 C4 C5 124.0(3) . .
C6 C5 C4 121.7(3) . .
C6 C5 H5 119.2 . .
C4 C5 H5 119.2 . .
C5 C6 C7 120.8(3) . .
C5 C6 H6 119.6 . .
C7 C6 H6 119.6 . .
C8 C7 C11 116.4(3) . .
C8 C7 C6 124.3(3) . .
C11 C7 C6 119.3(3) . .
C9 C8 C7 121.3(3) . .
C9 C8 H8 119.4 . .
C7 C8 H8 119.4 . .
C8 C9 C10 118.1(3) . .
C8 C9 H9 120.9 . .
C10 C9 H9 120.9 . .
N2 C10 C9 123.0(3) . .
N2 C10 H10 118.5 . .
C9 C10 H10 118.5 . .
N2 C11 C7 122.9(2) . .
N2 C11 C12 117.8(2) . .
C7 C11 C12 119.3(2) . .
N1 C12 C4 122.4(2) . .
N1 C12 C11 117.8(2) . .
C4 C12 C11 119.8(2) . .
O1 C13 O2 121.4(2) . .
O1 C13 C14 118.1(2) . .
O2 C13 C14 120.4(2) . .
O1 C13 Mn1 58.69(12) . .
O2 C13 Mn1 63.42(11) . .
C14 C13 Mn1 168.64(16) . .
C23 C14 C15 119.8(2) . .
C23 C14 C13 118.4(2) . .
C15 C14 C13 121.8(2) . .
C16 C15 C14 121.5(2) . .
C16 C15 C20 119.2(2) . .
C14 C15 C20 119.3(2) . .
C17 C16 C15 121.5(2) . .
C17 C16 H16 119.2 . .
C15 C16 H16 119.2 . .
C16 C17 C18 119.4(2) . .
C16 C17 H17 120.3 . .
C18 C17 H17 120.3 . .
C19 C18 C17 121.3(2) . .
C19 C18 H18 119.4 . .
C17 C18 H18 119.4 . .
C18 C19 C20 121.4(2) . .
C18 C19 H19 119.3 . .
C20 C19 H19 119.3 . .
C19 C20 C15 117.2(2) . .
C19 C20 C21 124.1(2) . .
C15 C20 C21 118.7(2) . .
C22 C21 C20 119.2(2) . .
C22 C21 C24 116.3(2) . .
C20 C21 C24 124.4(2) . .
C21 C22 C23 122.0(2) . .
C21 C22 H22 119.0 . .
C23 C22 H22 119.0 . .
C14 C23 C22 120.8(2) . .
C14 C23 H23 119.6 . .
C22 C23 H23 119.6 . .
O3 C24 O4 124.6(2) . .
O3 C24 C21 120.2(2) . .
O4 C24 C21 115.2(2) . .
O6 C25 O5 126.0(2) . .
O6 C25 C26 118.3(2) . .
O5 C25 C26 115.6(2) . .
C35 C26 C27 120.4(2) . .
C35 C26 C25 117.7(2) . .
C27 C26 C25 121.6(2) . .
C28 C27 C26 122.4(2) . .
C28 C27 C32 118.6(2) . .
C26 C27 C32 119.0(2) . .
C29 C28 C27 121.3(2) . .
C29 C28 H28 119.3 . .
C27 C28 H28 119.3 . .
C28 C29 C30 120.1(2) . .
C28 C29 H29 120.0 . .
C30 C29 H29 120.0 . .
C31 C30 C29 120.7(2) . .
C31 C30 H30 119.6 . .
C29 C30 H30 119.6 . .
C30 C31 C32 121.1(2) . .
C30 C31 H31 119.4 . .
C32 C31 H31 119.4 . .
C31 C32 C33 123.0(2) . .
C31 C32 C27 118.2(2) . .
C33 C32 C27 118.77(19) . .
C34 C33 C32 119.8(2) . .
C34 C33 C36 117.7(2) . .
C32 C33 C36 122.5(2) . .
C33 C34 C35 121.5(2) . .
C33 C34 H34 119.3 . .
C35 C34 H34 119.3 . .
C26 C35 C34 120.2(2) . .
C26 C35 H35 119.9 . .
C34 C35 H35 119.9 . .
O7 C36 O8 126.3(2) . .
O7 C36 C33 116.5(2) . .
O8 C36 C33 117.2(2) . .
N3 C37 C38 123.3(3) . .
N3 C37 H37 118.4 . .
C38 C37 H37 118.4 . .
C39 C38 C37 118.6(3) . .
C39 C38 H38 120.7 . .
C37 C38 H38 120.7 . .
C38 C39 C40 121.0(3) . .
C38 C39 H39 119.5 . .
C40 C39 H39 119.5 . .
C39 C40 C48 116.4(3) . .
C39 C40 C41 124.3(3) . .
C48 C40 C41 119.3(3) . .
C42 C41 C40 121.4(3) . .
C42 C41 H41 119.3 . .
C40 C41 H41 119.3 . .
C41 C42 C43 121.4(3) . .
C41 C42 H42 119.3 . .
C43 C42 H42 119.3 . .
C44 C43 C47 116.9(3) . .
C44 C43 C42 124.1(3) . .
C47 C43 C42 119.0(3) . .
C45 C44 C43 120.4(3) . .
C45 C44 H44 119.8 . .
C43 C44 H44 119.8 . .
C44 C45 C46 118.5(3) . .
C44 C45 H45 120.8 . .
C46 C45 H45 120.8 . .
N4 C46 C45 123.6(3) . .
N4 C46 H46 118.2 . .
C45 C46 H46 118.2 . .
N4 C47 C43 122.9(2) . .
N4 C47 C48 118.0(2) . .
C43 C47 C48 119.1(2) . .
N3 C48 C40 122.9(2) . .
N3 C48 C47 117.3(2) . .
C40 C48 C47 119.8(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O5 2.0642(17) .
Mn1 O7 2.1030(16) 6_566
Mn1 O1 2.2286(17) .
Mn1 N1 2.242(2) .
Mn1 N2 2.2588(19) .
Mn1 O2 2.3328(16) .
Mn1 C13 2.606(2) .
Mn2 O4 2.0567(18) 6
Mn2 O6 2.1596(17) .
Mn2 O8 2.1773(17) 6_566
Mn2 N4 2.2485(19) .
Mn2 N3 2.2619(19) .
Mn2 O2 2.3596(16) .
N1 C1 1.323(3) .
N1 C12 1.353(3) .
N2 C10 1.322(3) .
N2 C11 1.355(3) .
N3 C37 1.325(3) .
N3 C48 1.355(3) .
N4 C46 1.323(3) .
N4 C47 1.352(3) .
O1 C13 1.252(3) .
O2 C13 1.269(3) .
O3 C24 1.242(3) .
O4 C24 1.251(3) .
O4 Mn2 2.0567(18) 6_556
O5 C25 1.261(3) .
O6 C25 1.238(3) .
O7 C36 1.250(3) .
O7 Mn1 2.1030(16) 6_565
O8 C36 1.254(3) .
O8 Mn2 2.1773(17) 6_565
O9 H9A 0.878(18) .
O9 H9B 0.88(3) .
C1 C2 1.382(4) .
C1 H1 0.9300 .
C2 C3 1.351(4) .
C2 H2 0.9300 .
C3 C4 1.400(4) .
C3 H3 0.9300 .
C4 C12 1.400(3) .
C4 C5 1.421(4) .
C5 C6 1.336(4) .
C5 H5 0.9300 .
C6 C7 1.434(4) .
C6 H6 0.9300 .
C7 C8 1.393(4) .
C7 C11 1.400(3) .
C8 C9 1.359(4) .
C8 H8 0.9300 .
C9 C10 1.396(4) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.438(3) .
C13 C14 1.494(3) .
C14 C23 1.366(3) .
C14 C15 1.421(3) .
C15 C16 1.412(3) .
C15 C20 1.430(3) .
C16 C17 1.348(3) .
C16 H16 0.9300 .
C17 C18 1.401(4) .
C17 H17 0.9300 .
C18 C19 1.352(3) .
C18 H18 0.9300 .
C19 C20 1.415(3) .
C19 H19 0.9300 .
C20 C21 1.431(3) .
C21 C22 1.364(3) .
C21 C24 1.519(3) .
C22 C23 1.392(3) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C25 C26 1.509(3) .
C26 C35 1.358(3) .
C26 C27 1.419(3) .
C27 C28 1.419(3) .
C27 C32 1.423(3) .
C28 C29 1.353(3) .
C28 H28 0.9300 .
C29 C30 1.402(4) .
C29 H29 0.9300 .
C30 C31 1.355(3) .
C30 H30 0.9300 .
C31 C32 1.419(3) .
C31 H31 0.9300 .
C32 C33 1.422(3) .
C33 C34 1.362(3) .
C33 C36 1.501(3) .
C34 C35 1.400(3) .
C34 H34 0.9300 .
C35 H35 0.9300 .
C37 C38 1.389(4) .
C37 H37 0.9300 .
C38 C39 1.350(4) .
C38 H38 0.9300 .
C39 C40 1.400(4) .
C39 H39 0.9300 .
C40 C48 1.402(3) .
C40 C41 1.415(4) .
C41 C42 1.329(4) .
C41 H41 0.9300 .
C42 C43 1.430(4) .
C42 H42 0.9300 .
C43 C44 1.397(4) .
C43 C47 1.406(3) .
C44 C45 1.356(4) .
C44 H44 0.9300 .
C45 C46 1.396(4) .
C45 H45 0.9300 .
C46 H46 0.9300 .
C47 C48 1.431(3) .
