# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'En-Qing Gao'
_publ_contact_author_email       EQGAO@CHEM.ECNU.EDU.CN

_publ_section_title              
;
A novel manganese(II) complex with azide and neutral
dicarboxylate ligands: helical structure and magnetic properties
;
loop_
_publ_author_name
'En-Qing Gao'
'Qin-Xiang Jia'
'Wei-Wei Sun'
'Chun-Yan Tian'
'Hua Tian'

# Attachment '715045.cif'

data_1
_database_code_depnum_ccdc_archive 'CCDC 715045'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C15 H15 Cl Mn N5 O8.50'
_chemical_formula_weight         491.71

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'
Cl Cl 0.1484 0.1585 '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/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   15.3929(6)
_cell_length_b                   9.1730(3)
_cell_length_c                   13.8676(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.9290(10)
_cell_angle_gamma                90.00
_cell_volume                     1900.51(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8289
_cell_measurement_theta_min      2.61
_cell_measurement_theta_max      27.24

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1000
_exptl_absorpt_coefficient_mu    0.895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7750
_exptl_absorpt_correction_T_max  0.9158
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      296(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        2.5
_diffrn_reflns_number            23427
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0206
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.36
_diffrn_reflns_theta_max         26.02
_reflns_number_total             3744
_reflns_number_gt                3198
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_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^)+(0.0898P)^2^+3.1449P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3744
_refine_ls_number_parameters     289
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0490
_refine_ls_wR_factor_ref         0.1563
_refine_ls_wR_factor_gt          0.1460
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.038
_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 1.0000 0.0000 0.0285(2) Uani 1 2 d S . .
Mn2 Mn 1.0000 0.86689(7) 0.2500 0.0281(2) Uani 1 2 d S . .
C1 C 0.9509(2) 0.6973(3) 0.0587(2) 0.0311(7) Uani 1 1 d . . .
C2 C 0.8951(2) 0.5932(3) -0.0159(2) 0.0294(6) Uani 1 1 d . . .
C3 C 0.9099(2) 0.5775(4) -0.1099(2) 0.0373(7) Uani 1 1 d . . .
H3A H 0.9540 0.6320 -0.1287 0.045 Uiso 1 1 calc R . .
C5 C 0.8583(3) 0.4798(4) -0.1757(3) 0.0447(9) Uani 1 1 d . . .
H5A H 0.8686 0.4660 -0.2384 0.054 Uiso 1 1 calc R . .
C4 C 0.8281(3) 0.5147(4) 0.0086(2) 0.0384(8) Uani 1 1 d . . .
H4A H 0.8181 0.5236 0.0719 0.046 Uiso 1 1 calc R . .
C6 C 0.7931(3) 0.4050(4) -0.1482(3) 0.0436(8) Uani 1 1 d . . .
H6A H 0.7589 0.3386 -0.1921 0.052 Uiso 1 1 calc R . .
C7 C 0.6986(3) 0.3513(5) -0.0314(3) 0.0529(10) Uani 1 1 d . . .
H7A H 0.6435 0.3885 -0.0737 0.063 Uiso 1 1 calc R . .
H7B H 0.6986 0.3744 0.0368 0.063 Uiso 1 1 calc R . .
C8 C 0.7016(3) 0.1889(5) -0.0430(3) 0.0497(9) Uani 1 1 d . . .
H8A H 0.7613 0.1541 -0.0119 0.060 Uiso 1 1 calc R . .
H8B H 0.6893 0.1649 -0.1132 0.060 Uiso 1 1 calc R . .
C9 C 0.6344(3) 0.1119(4) 0.0030(3) 0.0484(9) Uani 1 1 d . . .
H9A H 0.5750 0.1505 -0.0253 0.058 Uiso 1 1 calc R . .
H9B H 0.6338 0.0087 -0.0125 0.058 Uiso 1 1 calc R . .
C10 C 0.6105(3) 0.2261(5) 0.1552(3) 0.0521(10) Uani 1 1 d . . .
H10A H 0.5624 0.2766 0.1158 0.063 Uiso 1 1 calc R . .
C12 C 0.6333(3) 0.2487(5) 0.2546(3) 0.0565(11) Uani 1 1 d . . .
H12A H 0.6006 0.3133 0.2837 0.068 Uiso 1 1 calc R . .
C11 C 0.7264(2) 0.0564(4) 0.1683(3) 0.0369(7) Uani 1 1 d . . .
H11A H 0.7569 -0.0100 0.1378 0.044 Uiso 1 1 calc R . .
C13 C 0.7056(3) 0.1749(5) 0.3127(3) 0.0469(9) Uani 1 1 d . . .
H13A H 0.7225 0.1910 0.3808 0.056 Uiso 1 1 calc R . .
C14 C 0.7526(2) 0.0772(4) 0.2688(3) 0.0360(7) Uani 1 1 d . . .
C15 C 0.8351(2) -0.0026(4) 0.3265(2) 0.0341(7) Uani 1 1 d . . .
N1 N 0.7765(2) 0.4247(3) -0.0579(2) 0.0433(7) Uani 1 1 d . . .
N2 N 0.6566(2) 0.1316(3) 0.1129(2) 0.0418(7) Uani 1 1 d . . .
N3 N 0.9528(2) 1.0422(3) 0.13485(19) 0.0363(6) Uani 1 1 d . . .
N4 N 0.92048(19) 1.1544(3) 0.1504(2) 0.0344(6) Uani 1 1 d . . .
N5 N 0.8874(3) 1.2618(4) 0.1653(3) 0.0587(9) Uani 1 1 d . . .
O1 O 1.00727(16) 0.7702(2) 0.02842(17) 0.0364(5) Uani 1 1 d . . .
O2 O 0.93709(17) 0.7008(3) 0.14330(16) 0.0386(6) Uani 1 1 d . . .
O3 O 0.86332(17) 0.0360(3) 0.41484(17) 0.0427(6) Uani 1 1 d . . .
O4 O 0.86655(16) -0.0965(3) 0.27985(17) 0.0386(5) Uani 1 1 d . . .
O5 O 0.5282(6) 0.6162(12) 0.0815(12) 0.274(7) Uani 1 1 d . . .
O7 O 0.6254(12) 0.7214(12) 0.0085(8) 0.313(9) Uani 1 1 d . . .
O6 O 0.6078(6) 0.7976(7) 0.1579(8) 0.207(4) Uani 1 1 d . . .
O8 O 0.6653(5) 0.5749(8) 0.1361(4) 0.147(2) Uani 1 1 d . . .
Cl1 Cl 0.61186(9) 0.68512(15) 0.09482(12) 0.0805(4) Uani 1 1 d . . .
O9 O 0.5000 0.9550(19) 0.2500 0.147(7) Uani 0.50 2 d SPD . .
H9W H 0.523(16) 0.901(4) 0.213(14) 0.221 Uiso 0.50 1 d PD . .
O10 O 0.5000 0.514(2) 0.2500 0.196(12) Uani 0.50 2 d SPD . .
H10W H 0.53(2) 0.567(5) 0.22(3) 0.294 Uiso 0.50 1 d PD . .

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 0.0386(4) 0.0290(4) 0.0174(3) 0.0002(2) 0.0055(3) -0.0038(3)
Mn2 0.0384(4) 0.0281(3) 0.0168(3) 0.000 0.0045(3) 0.000
C1 0.0400(17) 0.0245(14) 0.0256(15) 0.0019(11) 0.0014(13) 0.0024(13)
C2 0.0367(16) 0.0266(14) 0.0231(14) 0.0012(12) 0.0034(12) 0.0021(12)
C3 0.0456(19) 0.0405(18) 0.0265(16) -0.0002(14) 0.0099(14) -0.0044(15)
C5 0.061(2) 0.047(2) 0.0253(17) -0.0060(14) 0.0081(16) -0.0040(17)
C4 0.055(2) 0.0351(17) 0.0255(16) -0.0029(13) 0.0096(15) -0.0048(15)
C6 0.056(2) 0.0403(19) 0.0282(17) -0.0076(14) -0.0016(15) -0.0068(16)
C7 0.048(2) 0.050(2) 0.061(3) -0.0026(19) 0.0137(19) -0.0069(18)
C8 0.059(2) 0.050(2) 0.0354(19) -0.0040(16) 0.0024(17) -0.0087(18)
C9 0.051(2) 0.048(2) 0.0359(19) 0.0051(16) -0.0101(16) -0.0133(17)
C10 0.0344(19) 0.059(2) 0.058(2) 0.011(2) 0.0024(17) 0.0060(17)
C12 0.045(2) 0.062(3) 0.064(3) 0.005(2) 0.0164(19) 0.014(2)
C11 0.0332(17) 0.0380(18) 0.0377(18) 0.0049(14) 0.0047(14) -0.0037(14)
C13 0.044(2) 0.054(2) 0.043(2) 0.0034(17) 0.0114(16) 0.0026(17)
C14 0.0309(16) 0.0402(17) 0.0362(17) 0.0068(14) 0.0067(13) -0.0044(14)
C15 0.0331(16) 0.0392(17) 0.0296(16) 0.0045(13) 0.0069(13) -0.0041(13)
N1 0.0521(18) 0.0410(16) 0.0360(16) -0.0056(13) 0.0090(13) -0.0111(14)
N2 0.0349(15) 0.0462(17) 0.0399(16) 0.0103(13) 0.0004(12) -0.0068(13)
N3 0.0546(18) 0.0334(14) 0.0226(13) 0.0036(11) 0.0127(12) 0.0072(13)
N4 0.0401(15) 0.0357(16) 0.0282(14) 0.0031(11) 0.0098(12) -0.0020(12)
N5 0.073(2) 0.0403(18) 0.071(2) 0.0005(17) 0.035(2) 0.0106(17)
O1 0.0442(13) 0.0311(11) 0.0327(12) 0.0011(9) 0.0068(10) -0.0064(10)
O2 0.0562(15) 0.0370(12) 0.0215(11) -0.0053(9) 0.0075(10) -0.0089(11)
O3 0.0394(13) 0.0594(16) 0.0261(12) -0.0012(11) 0.0016(10) 0.0070(12)
O4 0.0373(12) 0.0447(13) 0.0318(12) -0.0010(10) 0.0043(10) 0.0017(10)
O5 0.125(6) 0.218(10) 0.428(18) -0.073(10) -0.033(9) -0.060(6)
O7 0.60(3) 0.208(9) 0.200(9) 0.110(8) 0.238(14) 0.122(13)
O6 0.249(9) 0.098(4) 0.338(11) -0.097(6) 0.194(9) -0.053(5)
O8 0.169(6) 0.149(5) 0.107(4) 0.007(4) 0.003(4) 0.077(5)
Cl1 0.0707(8) 0.0600(7) 0.0932(10) -0.0065(7) -0.0152(7) 0.0119(6)
O9 0.158(17) 0.101(11) 0.20(2) 0.000 0.078(15) 0.000
O10 0.18(2) 0.135(16) 0.33(4) 0.000 0.18(2) 0.000

_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 O1 2.142(2) . ?
Mn1 O1 2.142(2) 3_775 ?
Mn1 O3 2.176(2) 4_565 ?
Mn1 O3 2.176(2) 2_765 ?
Mn1 N3 2.197(3) . ?
Mn1 N3 2.197(3) 3_775 ?
Mn2 O2 2.181(2) . ?
Mn2 O2 2.181(2) 2_755 ?
Mn2 O4 2.217(2) 2_765 ?
Mn2 O4 2.217(2) 1_565 ?
Mn2 N3 2.259(3) 2_755 ?
Mn2 N3 2.259(3) . ?
C1 O2 1.242(4) . ?
C1 O1 1.246(4) . ?
C1 C2 1.514(4) . ?
C2 C4 1.365(5) . ?
C2 C3 1.384(4) . ?
C3 C5 1.385(5) . ?
C3 H3A 0.9300 . ?
C5 C6 1.344(6) . ?
C5 H5A 0.9300 . ?
C4 N1 1.346(4) . ?
C4 H4A 0.9300 . ?
C6 N1 1.349(5) . ?
C6 H6A 0.9300 . ?
C7 N1 1.495(5) . ?
C7 C8 1.500(6) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.515(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 N2 1.491(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 N2 1.342(5) . ?
C10 C12 1.355(6) . ?
C10 H10A 0.9300 . ?
C12 C13 1.383(6) . ?
C12 H12A 0.9300 . ?
C11 N2 1.349(5) . ?
C11 C14 1.368(5) . ?
C11 H11A 0.9300 . ?
C13 C14 1.382(5) . ?
C13 H13A 0.9300 . ?
C14 C15 1.516(5) . ?
C15 O4 1.243(4) . ?
C15 O3 1.249(4) . ?
N3 N4 1.186(4) . ?
N4 N5 1.150(4) . ?
O3 Mn1 2.176(2) 2_745 ?
O4 Mn2 2.217(2) 1_545 ?
O5 Cl1 1.407(9) . ?
O7 Cl1 1.306(8) . ?
O6 Cl1 1.364(6) . ?
O8 Cl1 1.342(5) . ?
O9 H9W 0.850(15) . ?
O10 H10W 0.85(2) . ?

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 O1 180.0 . 3_775 ?
O1 Mn1 O3 87.20(9) . 4_565 ?
O1 Mn1 O3 92.80(9) 3_775 4_565 ?
O1 Mn1 O3 92.80(9) . 2_765 ?
O1 Mn1 O3 87.20(9) 3_775 2_765 ?
O3 Mn1 O3 180.0 4_565 2_765 ?
O1 Mn1 N3 91.72(10) . . ?
O1 Mn1 N3 88.28(10) 3_775 . ?
O3 Mn1 N3 90.81(10) 4_565 . ?
O3 Mn1 N3 89.19(10) 2_765 . ?
O1 Mn1 N3 88.28(10) . 3_775 ?
O1 Mn1 N3 91.72(10) 3_775 3_775 ?
O3 Mn1 N3 89.19(10) 4_565 3_775 ?
O3 Mn1 N3 90.81(10) 2_765 3_775 ?
N3 Mn1 N3 180.0 . 3_775 ?
O2 Mn2 O2 91.41(13) . 2_755 ?
O2 Mn2 O4 105.02(9) . 2_765 ?
O2 Mn2 O4 87.27(9) 2_755 2_765 ?
O2 Mn2 O4 87.27(9) . 1_565 ?
O2 Mn2 O4 105.02(9) 2_755 1_565 ?
O4 Mn2 O4 162.57(13) 2_765 1_565 ?
O2 Mn2 N3 172.37(10) . 2_755 ?
O2 Mn2 N3 90.16(10) 2_755 2_755 ?
O4 Mn2 N3 82.51(10) 2_765 2_755 ?
O4 Mn2 N3 85.11(10) 1_565 2_755 ?
O2 Mn2 N3 90.16(10) . . ?
O2 Mn2 N3 172.37(10) 2_755 . ?
O4 Mn2 N3 85.11(10) 2_765 . ?
O4 Mn2 N3 82.51(10) 1_565 . ?
N3 Mn2 N3 89.26(15) 2_755 . ?
O2 C1 O1 126.6(3) . . ?
O2 C1 C2 117.6(3) . . ?
O1 C1 C2 115.8(3) . . ?
C4 C2 C3 119.0(3) . . ?
C4 C2 C1 120.1(3) . . ?
C3 C2 C1 121.0(3) . . ?
C2 C3 C5 119.3(3) . . ?
C2 C3 H3A 120.3 . . ?
C5 C3 H3A 120.3 . . ?
C6 C5 C3 119.5(3) . . ?
C6 C5 H5A 120.3 . . ?
C3 C5 H5A 120.3 . . ?
N1 C4 C2 120.7(3) . . ?
N1 C4 H4A 119.7 . . ?
C2 C4 H4A 119.7 . . ?
C5 C6 N1 121.1(3) . . ?
C5 C6 H6A 119.5 . . ?
N1 C6 H6A 119.5 . . ?
N1 C7 C8 112.0(4) . . ?
N1 C7 H7A 109.2 . . ?
C8 C7 H7A 109.2 . . ?
N1 C7 H7B 109.2 . . ?
C8 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
C7 C8 C9 112.1(4) . . ?
C7 C8 H8A 109.2 . . ?
C9 C8 H8A 109.2 . . ?
C7 C8 H8B 109.2 . . ?
C9 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
N2 C9 C8 111.3(3) . . ?
N2 C9 H9A 109.4 . . ?
C8 C9 H9A 109.4 . . ?
N2 C9 H9B 109.4 . . ?
C8 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
N2 C10 C12 120.6(4) . . ?
N2 C10 H10A 119.7 . . ?
C12 C10 H10A 119.7 . . ?
C10 C12 C13 119.5(4) . . ?
C10 C12 H12A 120.2 . . ?
C13 C12 H12A 120.2 . . ?
N2 C11 C14 120.5(3) . . ?
N2 C11 H11A 119.7 . . ?
C14 C11 H11A 119.7 . . ?
C14 C13 C12 119.7(4) . . ?
C14 C13 H13A 120.2 . . ?
C12 C13 H13A 120.2 . . ?
C11 C14 C13 118.8(3) . . ?
C11 C14 C15 118.3(3) . . ?
C13 C14 C15 122.8(3) . . ?
O4 C15 O3 128.4(3) . . ?
O4 C15 C14 116.2(3) . . ?
O3 C15 C14 115.4(3) . . ?
C4 N1 C6 120.3(3) . . ?
C4 N1 C7 119.0(3) . . ?
C6 N1 C7 120.7(3) . . ?
C10 N2 C11 121.0(3) . . ?
C10 N2 C9 120.6(3) . . ?
C11 N2 C9 118.4(3) . . ?
N4 N3 Mn1 123.1(2) . . ?
N4 N3 Mn2 124.6(2) . . ?
Mn1 N3 Mn2 111.13(12) . . ?
N5 N4 N3 178.5(4) . . ?
C1 O1 Mn1 125.5(2) . . ?
C1 O2 Mn2 120.7(2) . . ?
C15 O3 Mn1 123.5(2) . 2_745 ?
C15 O4 Mn2 134.1(2) . 1_545 ?
O7 Cl1 O8 111.5(6) . . ?
O7 Cl1 O6 115.9(7) . . ?
O8 Cl1 O6 114.5(6) . . ?
O7 Cl1 O5 109.7(10) . . ?
O8 Cl1 O5 99.5(6) . . ?
O6 Cl1 O5 104.0(6) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.02
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.054
_refine_diff_density_min         -0.609
_refine_diff_density_rms         0.086