# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2011


data_global
_journal_name_full               'Dalton Trans.'
_journal_coden_cambridge         0222
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_email       xiaojun_zhao15@yahoo.com.cn
_publ_contact_author_name        ' X.-J. Zhao '
loop_
_publ_author_name
'En-Cui Yang'
'Zhong-Yi Liu'
'Ya-Ling Li'
'Jing-Yi Wang'
Xiao-Jun

data_n101101a
_database_code_depnum_ccdc_archive 'CCDC 809884'
#TrackingRef 'N101101A.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H18 Mn3 N12 O12'
_chemical_formula_weight         903.38

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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'

_cell_length_a                   9.5348(5)
_cell_length_b                   13.7828(6)
_cell_length_c                   12.7311(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.3780(10)
_cell_angle_gamma                90.00
_cell_volume                     1640.19(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    4880
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      28.31

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            pale-yellow
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             906
_exptl_absorpt_coefficient_mu    1.224
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.8670
_exptl_absorpt_correction_T_max  0.8874
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8181
_diffrn_reflns_av_R_equivalents  0.0196
_diffrn_reflns_av_sigmaI/netI    0.0216
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.18
_diffrn_reflns_theta_max         25.01
_reflns_number_total             2888
_reflns_number_gt                2588
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0310P)^2^+0.8300P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2888
_refine_ls_number_parameters     259
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0285
_refine_ls_R_factor_gt           0.0241
_refine_ls_wR_factor_ref         0.0636
_refine_ls_wR_factor_gt          0.0611
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 1.0000 0.0000 0.0000 0.01439(11) Uani 1 2 d S . .
Mn2 Mn 1.03215(3) 0.245727(19) -0.07111(2) 0.01605(10) Uani 1 1 d . . .
O1 O 0.89501(13) 0.11328(9) -0.11046(10) 0.0181(3) Uani 1 1 d . . .
O2 O 0.77129(15) 0.24614(9) -0.09604(12) 0.0247(3) Uani 1 1 d . . .
O3 O 0.24199(14) 0.18858(10) -0.06607(11) 0.0251(3) Uani 1 1 d . . .
O4 O 0.17934(14) 0.03293(10) -0.06427(11) 0.0238(3) Uani 1 1 d . . .
O5 O 0.46162(18) -0.22103(12) -0.17010(15) 0.0427(4) Uani 1 1 d . . .
O6 O 0.64686(18) -0.18725(12) -0.23720(15) 0.0448(4) Uani 1 1 d . . .
N1 N 1.02453(17) 0.11639(11) 0.12768(12) 0.0186(3) Uani 1 1 d . . .
N2 N 1.03227(17) 0.21052(12) 0.09897(12) 0.0196(4) Uani 1 1 d . . .
N3 N 1.02351(18) 0.26752(12) 0.17944(12) 0.0205(4) Uani 1 1 d . . .
N4 N 1.00878(17) 0.21164(11) 0.26255(12) 0.0183(3) Uani 1 1 d . . .
N5 N 1.13550(18) 0.10812(12) 0.46460(13) 0.0239(4) Uani 1 1 d . . .
N6 N 0.54772(19) -0.16372(13) -0.19485(15) 0.0296(4) Uani 1 1 d . . .
C1 C 1.0102(2) 0.11960(13) 0.22969(14) 0.0172(4) Uani 1 1 d . . .
C2 C 0.9975(2) 0.03464(15) 0.30127(16) 0.0239(4) Uani 1 1 d . . .
H2A H 0.9967 -0.0261 0.2597 0.029 Uiso 1 1 calc R . .
H2B H 0.9055 0.0390 0.3259 0.029 Uiso 1 1 calc R . .
C3 C 1.1190(2) 0.03062(14) 0.39795(16) 0.0234(4) Uani 1 1 d . . .
C4 C 1.2467(2) 0.10624(16) 0.54935(16) 0.0284(5) Uani 1 1 d . . .
H4 H 1.2610 0.1608 0.5959 0.034 Uiso 1 1 calc R . .
C5 C 1.3393(2) 0.02970(17) 0.57118(18) 0.0340(5) Uani 1 1 d . . .
H5A H 1.4164 0.0317 0.6311 0.041 Uiso 1 1 calc R . .
C6 C 1.3190(3) -0.05048(17) 0.5048(2) 0.0355(5) Uani 1 1 d . . .
H6 H 1.3807 -0.1050 0.5192 0.043 Uiso 1 1 calc R . .
C7 C 1.2069(2) -0.04994(15) 0.41654(19) 0.0315(5) Uani 1 1 d . . .
H7 H 1.1909 -0.1042 0.3696 0.038 Uiso 1 1 calc R . .
C8 C 0.6422(2) 0.09612(14) -0.13156(15) 0.0189(4) Uani 1 1 d . . .
C9 C 0.5143(2) 0.13035(14) -0.10823(14) 0.0189(4) Uani 1 1 d . . .
H9 H 0.5061 0.1966 -0.0896 0.023 Uiso 1 1 calc R . .
C10 C 0.3982(2) 0.06803(14) -0.11209(14) 0.0182(4) Uani 1 1 d . . .
C11 C 0.4088(2) -0.02875(14) -0.14035(15) 0.0208(4) Uani 1 1 d . . .
H11 H 0.3314 -0.0723 -0.1408 0.025 Uiso 1 1 calc R . .
C12 C 0.5343(2) -0.06020(14) -0.16777(15) 0.0212(4) Uani 1 1 d . . .
C13 C 0.6507(2) -0.00002(14) -0.16440(15) 0.0207(4) Uani 1 1 d . . .
H13 H 0.7355 -0.0236 -0.1841 0.025 Uiso 1 1 calc R . .
C14 C 0.7750(2) 0.15776(14) -0.11258(14) 0.0189(4) Uani 1 1 d . . .
C15 C 0.2628(2) 0.10021(14) -0.07852(14) 0.0187(4) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Mn1 0.0154(2) 0.0155(2) 0.0133(2) -0.00212(15) 0.00524(15) -0.00091(15)
Mn2 0.02014(17) 0.01632(16) 0.01285(16) 0.00164(11) 0.00605(12) -0.00023(11)
O1 0.0156(7) 0.0224(7) 0.0170(7) 0.0018(5) 0.0048(5) 0.0010(5)
O2 0.0232(8) 0.0216(8) 0.0308(8) -0.0002(6) 0.0088(6) 0.0006(6)
O3 0.0217(8) 0.0254(8) 0.0305(8) 0.0007(6) 0.0107(6) 0.0041(6)
O4 0.0178(7) 0.0306(8) 0.0247(8) -0.0001(6) 0.0083(6) -0.0026(6)
O5 0.0416(10) 0.0291(8) 0.0585(12) -0.0096(8) 0.0127(9) -0.0059(8)
O6 0.0335(10) 0.0426(10) 0.0611(12) -0.0260(9) 0.0163(8) 0.0002(8)
N1 0.0216(9) 0.0180(8) 0.0168(8) -0.0015(6) 0.0055(7) 0.0001(7)
N2 0.0238(9) 0.0197(8) 0.0159(8) -0.0003(7) 0.0051(7) 0.0011(7)
N3 0.0276(9) 0.0193(8) 0.0150(8) -0.0008(6) 0.0053(7) 0.0020(7)
N4 0.0231(9) 0.0188(8) 0.0141(8) -0.0002(6) 0.0064(6) 0.0013(7)
N5 0.0284(10) 0.0236(9) 0.0193(9) 0.0012(7) 0.0038(7) 0.0005(7)
N6 0.0241(10) 0.0291(10) 0.0330(10) -0.0102(8) -0.0003(8) -0.0004(8)
C1 0.0160(10) 0.0208(10) 0.0147(9) -0.0009(8) 0.0025(7) 0.0005(8)
C2 0.0296(12) 0.0234(10) 0.0193(10) -0.0006(8) 0.0059(9) -0.0034(9)
C3 0.0283(11) 0.0221(10) 0.0213(10) 0.0031(8) 0.0083(9) -0.0038(9)
C4 0.0304(12) 0.0326(12) 0.0213(11) 0.0017(9) 0.0027(9) -0.0011(9)
C5 0.0301(13) 0.0424(14) 0.0280(12) 0.0121(10) 0.0019(10) 0.0019(10)
C6 0.0321(13) 0.0322(12) 0.0421(14) 0.0123(11) 0.0071(11) 0.0056(10)
C7 0.0381(14) 0.0222(11) 0.0363(13) 0.0030(9) 0.0126(10) -0.0002(9)
C8 0.0171(10) 0.0247(10) 0.0153(9) 0.0036(8) 0.0040(7) 0.0016(8)
C9 0.0221(11) 0.0206(10) 0.0137(9) 0.0040(8) 0.0026(8) 0.0016(8)
C10 0.0172(10) 0.0257(10) 0.0119(9) 0.0044(8) 0.0029(7) 0.0026(8)
C11 0.0190(10) 0.0264(10) 0.0160(10) 0.0021(8) 0.0012(8) -0.0024(8)
C12 0.0209(11) 0.0241(10) 0.0180(10) -0.0030(8) 0.0023(8) 0.0017(8)
C13 0.0164(10) 0.0296(11) 0.0158(10) -0.0004(8) 0.0025(7) 0.0040(8)
C14 0.0196(10) 0.0253(11) 0.0125(9) 0.0016(8) 0.0045(8) 0.0010(8)
C15 0.0168(10) 0.0275(11) 0.0111(9) 0.0012(8) 0.0014(7) -0.0005(8)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O4 2.0860(13) 1_655 ?
Mn1 O4 2.0861(13) 3_655 ?
Mn1 O1 2.2049(12) . ?
Mn1 O1 2.2050(12) 3_755 ?
Mn1 N1 2.2628(15) 3_755 ?
Mn1 N1 2.2628(15) . ?
Mn2 O3 2.1394(13) 1_655 ?
Mn2 N4 2.1664(15) 4_565 ?
Mn2 N2 2.2188(15) . ?
Mn2 O1 2.2439(13) . ?
Mn2 N5 2.2492(17) 4_565 ?
Mn2 O2 2.4445(14) . ?
O1 C14 1.294(2) . ?
O2 C14 1.238(2) . ?
O3 C15 1.249(2) . ?
O3 Mn2 2.1394(13) 1_455 ?
O4 C15 1.258(2) . ?
O4 Mn1 2.0860(13) 1_455 ?
O5 N6 1.224(2) . ?
O6 N6 1.221(2) . ?
N1 C1 1.333(2) . ?
N1 N2 1.354(2) . ?
N2 N3 1.307(2) . ?
N3 N4 1.338(2) . ?
N4 C1 1.337(2) . ?
N4 Mn2 2.1665(15) 4_566 ?
N5 C3 1.354(3) . ?
N5 C4 1.356(3) . ?
N5 Mn2 2.2491(17) 4_566 ?
N6 C12 1.479(3) . ?
C1 C2 1.503(3) . ?
C2 C3 1.516(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C7 1.383(3) . ?
C4 C5 1.369(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.382(3) . ?
C5 H5A 0.9500 . ?
C6 C7 1.389(3) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.393(3) . ?
C8 C13 1.397(3) . ?
C8 C14 1.504(3) . ?
C9 C10 1.395(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.390(3) . ?
C10 C15 1.505(3) . ?
C11 C12 1.381(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.380(3) . ?
C13 H13 0.9500 . ?

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
O4 Mn1 O4 180.0 1_655 3_655 ?
O4 Mn1 O1 84.26(5) 1_655 . ?
O4 Mn1 O1 95.74(5) 3_655 . ?
O4 Mn1 O1 95.74(5) 1_655 3_755 ?
O4 Mn1 O1 84.26(5) 3_655 3_755 ?
O1 Mn1 O1 180.00(6) . 3_755 ?
O4 Mn1 N1 81.32(5) 1_655 3_755 ?
O4 Mn1 N1 98.69(5) 3_655 3_755 ?
O1 Mn1 N1 94.26(5) . 3_755 ?
O1 Mn1 N1 85.74(5) 3_755 3_755 ?
O4 Mn1 N1 98.68(5) 1_655 . ?
O4 Mn1 N1 81.31(5) 3_655 . ?
O1 Mn1 N1 85.74(5) . . ?
O1 Mn1 N1 94.26(5) 3_755 . ?
N1 Mn1 N1 180.00(6) 3_755 . ?
O3 Mn2 N4 92.54(6) 1_655 4_565 ?
O3 Mn2 N2 94.00(6) 1_655 . ?
N4 Mn2 N2 173.42(6) 4_565 . ?
O3 Mn2 O1 101.97(5) 1_655 . ?
N4 Mn2 O1 93.41(5) 4_565 . ?
N2 Mn2 O1 85.87(5) . . ?
O3 Mn2 N5 87.35(6) 1_655 4_565 ?
N4 Mn2 N5 84.90(6) 4_565 4_565 ?
N2 Mn2 N5 94.75(6) . 4_565 ?
O1 Mn2 N5 170.60(6) . 4_565 ?
O3 Mn2 O2 157.87(5) 1_655 . ?
N4 Mn2 O2 88.09(5) 4_565 . ?
N2 Mn2 O2 86.09(5) . . ?
O1 Mn2 O2 55.92(4) . . ?
N5 Mn2 O2 114.72(5) 4_565 . ?
C14 O1 Mn1 129.58(11) . . ?
C14 O1 Mn2 95.35(11) . . ?
Mn1 O1 Mn2 105.21(5) . . ?
C14 O2 Mn2 87.57(11) . . ?
C15 O3 Mn2 121.74(12) . 1_455 ?
C15 O4 Mn1 143.86(13) . 1_455 ?
C1 N1 N2 104.63(14) . . ?
C1 N1 Mn1 135.02(13) . . ?
N2 N1 Mn1 119.27(11) . . ?
N3 N2 N1 110.44(14) . . ?
N3 N2 Mn2 130.23(12) . . ?
N1 N2 Mn2 118.91(11) . . ?
N2 N3 N4 107.86(15) . . ?
C1 N4 N3 106.84(14) . . ?
C1 N4 Mn2 123.91(12) . 4_566 ?
N3 N4 Mn2 127.60(12) . 4_566 ?
C3 N5 C4 117.37(18) . . ?
C3 N5 Mn2 126.00(13) . 4_566 ?
C4 N5 Mn2 114.87(13) . 4_566 ?
O6 N6 O5 123.99(19) . . ?
O6 N6 C12 117.99(18) . . ?
O5 N6 C12 117.97(17) . . ?
N1 C1 N4 110.22(16) . . ?
N1 C1 C2 126.91(16) . . ?
N4 C1 C2 122.87(16) . . ?
C1 C2 C3 112.38(16) . . ?
C1 C2 H2A 109.1 . . ?
C3 C2 H2A 109.1 . . ?
C1 C2 H2B 109.1 . . ?
C3 C2 H2B 109.1 . . ?
H2A C2 H2B 107.9 . . ?
N5 C3 C7 122.3(2) . . ?
N5 C3 C2 117.11(17) . . ?
C7 C3 C2 120.58(19) . . ?
N5 C4 C5 123.2(2) . . ?
N5 C4 H4 118.4 . . ?
C5 C4 H4 118.4 . . ?
C4 C5 C6 119.1(2) . . ?
C4 C5 H5A 120.5 . . ?
C6 C5 H5A 120.5 . . ?
C5 C6 C7 118.9(2) . . ?
C5 C6 H6 120.6 . . ?
C7 C6 H6 120.6 . . ?
C3 C7 C6 119.1(2) . . ?
C3 C7 H7 120.5 . . ?
C6 C7 H7 120.5 . . ?
C9 C8 C13 119.37(18) . . ?
C9 C8 C14 121.26(17) . . ?
C13 C8 C14 119.14(17) . . ?
C8 C9 C10 120.40(18) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C11 C10 C9 120.16(17) . . ?
C11 C10 C15 117.81(17) . . ?
C9 C10 C15 121.88(17) . . ?
C12 C11 C10 118.51(18) . . ?
C12 C11 H11 120.7 . . ?
C10 C11 H11 120.7 . . ?
C13 C12 C11 122.39(18) . . ?
C13 C12 N6 118.75(17) . . ?
C11 C12 N6 118.74(18) . . ?
C12 C13 C8 119.04(18) . . ?
C12 C13 H13 120.5 . . ?
C8 C13 H13 120.5 . . ?
O2 C14 O1 121.15(18) . . ?
O2 C14 C8 122.14(17) . . ?
O1 C14 C8 116.67(16) . . ?
O3 C15 O4 125.43(18) . . ?
O3 C15 C10 119.34(17) . . ?
O4 C15 C10 115.22(17) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O4 Mn1 O1 C14 -165.56(16) 1_655 . . . ?
O4 Mn1 O1 C14 14.44(16) 3_655 . . . ?
O1 Mn1 O1 C14 -62.19(15) 3_755 . . . ?
N1 Mn1 O1 C14 113.62(15) 3_755 . . . ?
N1 Mn1 O1 C14 -66.38(15) . . . . ?
O4 Mn1 O1 Mn2 -55.06(5) 1_655 . . . ?
O4 Mn1 O1 Mn2 124.94(5) 3_655 . . . ?
O1 Mn1 O1 Mn2 48.31(5) 3_755 . . . ?
N1 Mn1 O1 Mn2 -135.88(6) 3_755 . . . ?
N1 Mn1 O1 Mn2 44.12(6) . . . . ?
O3 Mn2 O1 C14 -179.04(10) 1_655 . . . ?
N4 Mn2 O1 C14 -85.71(11) 4_565 . . . ?
N2 Mn2 O1 C14 87.74(11) . . . . ?
N5 Mn2 O1 C14 -6.4(4) 4_565 . . . ?
O2 Mn2 O1 C14 -0.33(10) . . . . ?
O3 Mn2 O1 Mn1 47.44(6) 1_655 . . . ?
N4 Mn2 O1 Mn1 140.77(6) 4_565 . . . ?
N2 Mn2 O1 Mn1 -45.79(6) . . . . ?
N5 Mn2 O1 Mn1 -139.9(3) 4_565 . . . ?
O2 Mn2 O1 Mn1 -133.86(7) . . . . ?
O3 Mn2 O2 C14 3.7(2) 1_655 . . . ?
N4 Mn2 O2 C14 95.76(11) 4_565 . . . ?
N2 Mn2 O2 C14 -87.32(11) . . . . ?
O1 Mn2 O2 C14 0.34(10) . . . . ?
N5 Mn2 O2 C14 179.25(11) 4_565 . . . ?
O4 Mn1 N1 C1 -137.82(18) 1_655 . . . ?
O4 Mn1 N1 C1 42.18(18) 3_655 . . . ?
O1 Mn1 N1 C1 138.67(18) . . . . ?
O1 Mn1 N1 C1 -41.33(18) 3_755 . . . ?
N1 Mn1 N1 C1 82.4(2) 3_755 . . . ?
O4 Mn1 N1 N2 56.12(14) 1_655 . . . ?
O4 Mn1 N1 N2 -123.88(14) 3_655 . . . ?
O1 Mn1 N1 N2 -27.40(13) . . . . ?
O1 Mn1 N1 N2 152.60(13) 3_755 . . . ?
N1 Mn1 N1 N2 -83.64(12) 3_755 . . . ?
C1 N1 N2 N3 0.2(2) . . . . ?
Mn1 N1 N2 N3 170.06(12) . . . . ?
C1 N1 N2 Mn2 -173.09(12) . . . . ?
Mn1 N1 N2 Mn2 -3.23(18) . . . . ?
O3 Mn2 N2 N3 117.94(16) 1_655 . . . ?
N4 Mn2 N2 N3 -56.4(6) 4_565 . . . ?
O1 Mn2 N2 N3 -140.32(16) . . . . ?
N5 Mn2 N2 N3 30.26(17) 4_565 . . . ?
O2 Mn2 N2 N3 -84.25(16) . . . . ?
O3 Mn2 N2 N1 -70.31(14) 1_655 . . . ?
N4 Mn2 N2 N1 115.4(5) 4_565 . . . ?
O1 Mn2 N2 N1 31.43(13) . . . . ?
N5 Mn2 N2 N1 -157.98(13) 4_565 . . . ?
O2 Mn2 N2 N1 87.50(13) . . . . ?
N1 N2 N3 N4 -0.4(2) . . . . ?
Mn2 N2 N3 N4 171.87(12) . . . . ?
N2 N3 N4 C1 0.5(2) . . . . ?
N2 N3 N4 Mn2 166.14(12) . . . 4_566 ?
N2 N1 C1 N4 0.1(2) . . . . ?
Mn1 N1 C1 N4 -167.34(13) . . . . ?
N2 N1 C1 C2 -179.65(18) . . . . ?
Mn1 N1 C1 C2 12.9(3) . . . . ?
N3 N4 C1 N1 -0.4(2) . . . . ?
Mn2 N4 C1 N1 -166.69(12) 4_566 . . . ?
N3 N4 C1 C2 179.40(17) . . . . ?
Mn2 N4 C1 C2 13.1(3) 4_566 . . . ?
N1 C1 C2 C3 118.4(2) . . . . ?
N4 C1 C2 C3 -61.3(2) . . . . ?
C4 N5 C3 C7 2.8(3) . . . . ?
Mn2 N5 C3 C7 166.87(15) 4_566 . . . ?
C4 N5 C3 C2 -177.99(17) . . . . ?
Mn2 N5 C3 C2 -13.9(2) 4_566 . . . ?
C1 C2 C3 N5 59.2(2) . . . . ?
C1 C2 C3 C7 -121.6(2) . . . . ?
C3 N5 C4 C5 -1.5(3) . . . . ?
Mn2 N5 C4 C5 -167.32(17) 4_566 . . . ?
N5 C4 C5 C6 -0.6(3) . . . . ?
C4 C5 C6 C7 1.3(3) . . . . ?
N5 C3 C7 C6 -2.0(3) . . . . ?
C2 C3 C7 C6 178.75(19) . . . . ?
C5 C6 C7 C3 -0.1(3) . . . . ?
C13 C8 C9 C10 3.4(3) . . . . ?
C14 C8 C9 C10 -171.03(17) . . . . ?
C8 C9 C10 C11 -0.6(3) . . . . ?
C8 C9 C10 C15 174.77(17) . . . . ?
C9 C10 C11 C12 -2.2(3) . . . . ?
C15 C10 C11 C12 -177.79(17) . . . . ?
C10 C11 C12 C13 2.4(3) . . . . ?
C10 C11 C12 N6 178.24(17) . . . . ?
O6 N6 C12 C13 -16.9(3) . . . . ?
O5 N6 C12 C13 160.63(19) . . . . ?
O6 N6 C12 C11 167.03(19) . . . . ?
O5 N6 C12 C11 -15.4(3) . . . . ?
C11 C12 C13 C8 0.4(3) . . . . ?
N6 C12 C13 C8 -175.53(17) . . . . ?
C9 C8 C13 C12 -3.2(3) . . . . ?
C14 C8 C13 C12 171.29(17) . . . . ?
Mn2 O2 C14 O1 -0.58(17) . . . . ?
Mn2 O2 C14 C8 176.89(16) . . . . ?
Mn1 O1 C14 O2 115.43(17) . . . . ?
Mn2 O1 C14 O2 0.63(18) . . . . ?
Mn1 O1 C14 C8 -62.2(2) . . . . ?
Mn2 O1 C14 C8 -176.97(13) . . . . ?
C9 C8 C14 O2 -14.5(3) . . . . ?
C13 C8 C14 O2 171.14(18) . . . . ?
C9 C8 C14 O1 163.11(17) . . . . ?
C13 C8 C14 O1 -11.3(3) . . . . ?
Mn2 O3 C15 O4 -21.8(3) 1_455 . . . ?
Mn2 O3 C15 C10 158.98(13) 1_455 . . . ?
Mn1 O4 C15 O3 -12.8(3) 1_455 . . . ?
Mn1 O4 C15 C10 166.52(15) 1_455 . . . ?
C11 C10 C15 O3 -170.80(17) . . . . ?
C9 C10 C15 O3 13.7(3) . . . . ?
C11 C10 C15 O4 9.9(2) . . . . ?
C9 C10 C15 O4 -165.63(17) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.327
_refine_diff_density_min         -0.262
_refine_diff_density_rms         0.051