#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/16/4331649.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_4331649
loop_
_publ_author_name
'Dominik Lieb'
'Felix C. Friedel'
'Mirza Yawer'
'Achim Zahl'
'Marat M. Khusniyarov'
'Frank W. Heinemann'
'Ivana Ivanović-Burmazović'
_publ_contact_author
;
        Prof. Dr. I. Ivanovic-Burmazovic
        Department of Chemistry and Pharmacy
        Inorganic Chemistry
        Universität Erlangen-Nürnberg
        Egerlandstr. 1
        D-91058 Erlangen
        Bundesrepublik Deutschland
;
_publ_contact_author_email       ivana.ivanovic@chemie.uni-erlangen.de
_publ_contact_author_fax         '049 9131 852-7345'
_publ_contact_author_phone       '049 9131 852-5428'
_publ_section_title
;
 Dinuclear Seven-Coordinate Mn(II) Complexes: Effect of
 Manganese(II)-Hydroxo Species on Water Exchange and Superoxide Dismutase
 Activity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              222
_journal_page_last               236
_journal_paper_doi               10.1021/ic301714d
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C30 H52 Cl4 Mn2 N10, 4(C H4 O)'
_chemical_formula_sum            'C34 H68 Cl4 Mn2 N10 O4'
_chemical_formula_weight         932.66
_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                 112.073(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.718(3)
_cell_length_b                   21.431(3)
_cell_length_c                   11.3327(18)
_cell_measurement_reflns_used    7906
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      2.72
_cell_volume                     4437.9(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_publication_material  'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_structure_refinement  'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_structure_solution    'SHELXTL 6.12 (Bruker AXS, 2002)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 83.33
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Kappa APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Quazar focussing montel optics'
_diffrn_radiation_source         'ImuS micro-focus tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            29816
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.72
_exptl_absorpt_coefficient_mu    0.857
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.675
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker-AXS, 2009'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_description       prism
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.855
_refine_diff_density_min         -0.595
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.199
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         4540
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.248
_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0547
_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)+(0.0690P)²+12.2104P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1549
_refine_ls_wR_factor_ref         0.1635
_reflns_number_gt                3717
_reflns_number_total             4540
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic301714d_si_001_3.cif
_cod_data_source_block           dl1102
_cod_original_cell_volume        4438.0(12)
_cod_original_sg_symbol_Hall     -C2yc
_cod_database_code               4331649
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.5000 1.14428(3) 0.2500 0.0312(2) Uani 1 2 d S . .
Mn2 Mn 0.5000 0.60402(4) 0.2500 0.0342(2) Uani 1 2 d S . .
Cl1 Cl 0.3963(10) 1.1403(10) 0.0238(17) 0.0394(16) Uani 0.45(11) 1 d P A 1
Cl2 Cl 0.45414(19) 0.5973(3) 0.0039(3) 0.0360(12) Uani 0.71(3) 1 d P B 1
Cl1A Cl 0.4076(19) 1.1507(16) 0.0227(13) 0.043(3) Uani 0.55(11) 1 d P A 2
Cl2A Cl 0.4440(9) 0.6194(18) 0.0065(9) 0.080(3) Uani 0.29(3) 1 d P B 2
N1 N 0.5000 1.03862(18) 0.2500 0.0300(8) Uani 1 2 d S . .
N2 N 0.5948(5) 1.1101(3) 0.1909(9) 0.0325(16) Uani 0.598(15) 1 d P A 1
H2 H 0.6346 1.1033 0.2665 0.039 Uiso 0.598(15) 1 calc PR A 1
N3 N 0.5427(10) 1.2330(9) 0.1834(18) 0.049(4) Uani 0.598(15) 1 d P A 1
H3 H 0.5113 1.2397 0.0995 0.059 Uiso 0.598(15) 1 calc PR A 1
N3A N 0.5644(13) 1.2248(12) 0.207(3) 0.041(5) Uani 0.402(15) 1 d P A 2
H3A H 0.6065 1.2307 0.2791 0.050 Uiso 0.402(15) 1 calc PR A 2
N4 N 0.5000 0.7101(2) 0.2500 0.0379(10) Uani 1 2 d S . .
N5 N 0.61410(19) 0.64058(15) 0.2667(4) 0.0490(9) Uani 1 1 d . B .
H5 H 0.6391 0.6467 0.3536 0.059 Uiso 1 1 calc R . .
N6 N 0.5657(2) 0.51779(15) 0.2318(4) 0.0496(9) Uani 1 1 d . B .
H6 H 0.5526 0.5119 0.1447 0.059 Uiso 1 1 calc R . .
C1 C 0.5000 0.9089(2) 0.2500 0.0293(10) Uani 1 2 d S . .
C2 C 0.54393(18) 0.94251(16) 0.2019(3) 0.0331(7) Uani 1 1 d . A .
H2A H 0.5750 0.9212 0.1684 0.040 Uiso 1 1 calc R . .
C3 C 0.54256(18) 1.00707(16) 0.2027(4) 0.0348(8) Uani 1 1 d . . .
C4 C 0.5771(6) 1.0493(4) 0.1277(10) 0.0325(18) Uani 0.598(15) 1 d P A 1
H4A H 0.5383 1.0567 0.0418 0.039 Uiso 0.598(15) 1 calc PR A 1
C5 C 0.6401(2) 1.0151(2) 0.1061(5) 0.0558(12) Uani 1 1 d . . .
H5A H 0.6402 0.9711 0.1299 0.084 Uiso 0.598(15) 1 calc PR A 1
H5B H 0.6868 1.0343 0.1585 0.084 Uiso 0.598(15) 1 calc PR A 1
H5C H 0.6333 1.0180 0.0161 0.084 Uiso 0.598(15) 1 calc PR A 1
H5D H 0.6489 0.9708 0.1279 0.084 Uiso 0.402(15) 1 d PR A 2
H5E H 0.6868 1.0362 0.1224 0.084 Uiso 0.402(15) 1 d PR A 2
H5F H 0.6088 1.0192 0.0158 0.084 Uiso 0.402(15) 1 d PR A 2
C6 C 0.6182(2) 1.15534(18) 0.1222(4) 0.0417(9) Uani 1 1 d . . .
H6A H 0.5852 1.1547 0.0314 0.050 Uiso 0.598(15) 1 calc PR A 1
H6B H 0.6683 1.1454 0.1279 0.050 Uiso 0.598(15) 1 calc PR A 1
H6C H 0.6644 1.1563 0.1980 0.050 Uiso 0.402(15) 1 d PR A 2
H6D H 0.6307 1.1464 0.0472 0.050 Uiso 0.402(15) 1 d PR A 2
C7 C 0.6169(7) 1.2206(4) 0.1791(12) 0.055(3) Uani 0.598(15) 1 d P A 1
H7A H 0.6548 1.2228 0.2662 0.066 Uiso 0.598(15) 1 calc PR A 1
H7B H 0.6282 1.2527 0.1263 0.066 Uiso 0.598(15) 1 calc PR A 1
C8 C 0.5386(4) 1.2863(5) 0.2497(14) 0.069(3) Uani 0.598(15) 1 d PDU . 1
H8A H 0.5470 1.3241 0.2068 0.083 Uiso 0.598(15) 1 calc PR A 1
H8B H 0.5755 1.2851 0.3377 0.083 Uiso 0.598(15) 1 calc PR A 1
C9 C 0.5000 0.8395(2) 0.2500 0.0313(10) Uani 1 2 d S . .
C10 C 0.55765(19) 0.80589(17) 0.2392(4) 0.0370(8) Uani 1 1 d . B .
H10A H 0.5985 0.8271 0.2331 0.044 Uiso 1 1 calc R . .
C11 C 0.5553(2) 0.74124(17) 0.2374(4) 0.0403(9) Uani 1 1 d . . .
C12 C 0.6122(2) 0.7007(2) 0.2124(5) 0.0566(12) Uani 1 1 d . B .
H12A H 0.5919 0.6936 0.1183 0.068 Uiso 1 1 calc R . .
C13 C 0.6838(2) 0.7334(2) 0.2394(6) 0.0654(14) Uani 1 1 d . . .
H13A H 0.7186 0.7043 0.2258 0.098 Uiso 1 1 calc R B .
H13B H 0.7033 0.7478 0.3279 0.098 Uiso 1 1 calc R . .
H13C H 0.6763 0.7692 0.1821 0.098 Uiso 1 1 calc R . .
C14 C 0.6564(3) 0.5929(2) 0.2333(5) 0.0566(12) Uani 1 1 d . . .
H14A H 0.7092 0.6030 0.2726 0.068 Uiso 1 1 calc R B .
H14B H 0.6423 0.5919 0.1397 0.068 Uiso 1 1 calc R . .
C15 C 0.6423(3) 0.5297(2) 0.2800(6) 0.0692(15) Uani 1 1 d . B .
H15A H 0.6675 0.4967 0.2506 0.083 Uiso 1 1 calc R . .
H15B H 0.6618 0.5291 0.3742 0.083 Uiso 1 1 calc R . .
C16 C 0.5412(3) 0.46165(19) 0.2766(5) 0.0573(12) Uani 1 1 d . . .
H16A H 0.5601 0.4612 0.3708 0.069 Uiso 1 1 calc R B .
H16B H 0.5597 0.4241 0.2474 0.069 Uiso 1 1 calc R . .
O100 O 0.2554(4) 0.1148(4) 0.0391(7) 0.172(3) Uani 1 1 d DU . .
H100 H 0.2976 0.1241 0.0356 0.258 Uiso 1 1 d . . .
C100 C 0.2039(5) 0.1499(5) -0.0509(8) 0.133(3) Uani 1 1 d DU . .
H10B H 0.1561 0.1431 -0.0454 0.199 Uiso 1 1 calc R . .
H10C H 0.2018 0.1378 -0.1356 0.199 Uiso 1 1 calc R . .
H10D H 0.2170 0.1942 -0.0363 0.199 Uiso 1 1 calc R . .
O200 O 0.7988(3) 0.8511(2) 0.4362(5) 0.1054(16) Uani 1 1 d D . .
H200 H 0.8408 0.8656 0.4514 0.158 Uiso 1 1 calc R . .
C200 C 0.7464(3) 0.8960(3) 0.3728(6) 0.0789(17) Uani 1 1 d D . .
H20A H 0.7033 0.8906 0.3951 0.118 Uiso 1 1 calc R . .
H20B H 0.7321 0.8910 0.2807 0.118 Uiso 1 1 calc R . .
H20C H 0.7669 0.9377 0.3982 0.118 Uiso 1 1 calc R . .
N2A N 0.5704(7) 1.1036(5) 0.1380(15) 0.032(2) Uani 0.402(15) 1 d P A 2
H2A1 H 0.5367 1.0959 0.0562 0.038 Uiso 0.402(15) 1 calc PR A 2
C4A C 0.6031(8) 1.0438(5) 0.1835(17) 0.032(3) Uani 0.402(15) 1 d P A 2
H4B H 0.6415 1.0509 0.2700 0.039 Uiso 0.402(15) 1 calc PR A 2
C7A C 0.5853(8) 1.2149(5) 0.1084(15) 0.041(3) Uani 0.402(15) 1 d P A 2
H7C H 0.6207 1.2474 0.1070 0.049 Uiso 0.402(15) 1 calc PR A 2
H7D H 0.5424 1.2170 0.0273 0.049 Uiso 0.402(15) 1 calc PR A 2
C8A C 0.5115(10) 1.2849(8) 0.1951(11) 0.053(4) Uani 0.402(15) 1 d PD . 2
H8A1 H 0.5383 1.3239 0.1943 0.063 Uiso 0.402(15) 1 calc PR A 2
H8A2 H 0.4680 1.2825 0.1147 0.063 Uiso 0.402(15) 1 calc PR A 2
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'
Cl Cl 0.1484 0.1585 '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
N1 Mn1 N3A 138.6(7) . 2_655
N1 Mn1 N3A 138.6(7) . .
N3A Mn1 N3A 82.8(13) 2_655 .
N1 Mn1 N3 145.1(4) . .
N3A Mn1 N3 75.5(5) 2_655 .
N3A Mn1 N3 11.1(7) . .
N1 Mn1 N3 145.1(4) . 2_655
N3A Mn1 N3 11.1(7) 2_655 2_655
N3A Mn1 N3 75.5(5) . 2_655
N3 Mn1 N3 69.7(9) . 2_655
N1 Mn1 N2 71.65(18) . 2_655
N3A Mn1 N2 67.0(7) 2_655 2_655
N3A Mn1 N2 149.7(7) . 2_655
N3 Mn1 N2 141.4(5) . 2_655
N3 Mn1 N2 74.7(5) 2_655 2_655
N1 Mn1 N2 71.65(18) . .
N3A Mn1 N2 149.7(7) 2_655 .
N3A Mn1 N2 67.0(7) . .
N3 Mn1 N2 74.7(5) . .
N3 Mn1 N2 141.4(5) 2_655 .
N2 Mn1 N2 143.3(4) 2_655 .
N1 Mn1 N2A 68.4(2) . .
N3A Mn1 N2A 150.5(8) 2_655 .
N3A Mn1 N2A 71.5(7) . .
N3 Mn1 N2A 76.7(5) . .
N3 Mn1 N2A 146.4(5) 2_655 .
N2 Mn1 N2A 137.1(2) 2_655 .
N2 Mn1 N2A 15.3(2) . .
N1 Mn1 N2A 68.4(2) . 2_655
N3A Mn1 N2A 71.5(7) 2_655 2_655
N3A Mn1 N2A 150.5(8) . 2_655
N3 Mn1 N2A 146.4(5) . 2_655
N3 Mn1 N2A 76.7(5) 2_655 2_655
N2 Mn1 N2A 15.3(2) 2_655 2_655
N2 Mn1 N2A 137.1(2) . 2_655
N2A Mn1 N2A 136.8(5) . 2_655
N1 Mn1 Cl1A 93.1(8) . 2_655
N3A Mn1 Cl1A 89.2(13) 2_655 2_655
N3A Mn1 Cl1A 86.1(7) . 2_655
N3 Mn1 Cl1A 94.3(6) . 2_655
N3 Mn1 Cl1A 80.5(12) 2_655 2_655
N2 Mn1 Cl1A 94.2(6) 2_655 2_655
N2 Mn1 Cl1A 87.8(10) . 2_655
N2A Mn1 Cl1A 102.8(11) . 2_655
N2A Mn1 Cl1A 79.5(6) 2_655 2_655
N1 Mn1 Cl1A 93.1(8) . .
N3A Mn1 Cl1A 86.1(7) 2_655 .
N3A Mn1 Cl1A 89.2(13) . .
N3 Mn1 Cl1A 80.5(12) . .
N3 Mn1 Cl1A 94.3(6) 2_655 .
N2 Mn1 Cl1A 87.8(10) 2_655 .
N2 Mn1 Cl1A 94.2(6) . .
N2A Mn1 Cl1A 79.5(6) . .
N2A Mn1 Cl1A 102.8(11) 2_655 .
Cl1A Mn1 Cl1A 173.8(16) 2_655 .
N1 Mn1 Cl1 88.1(5) . .
N3A Mn1 Cl1 86.7(7) 2_655 .
N3A Mn1 Cl1 96.1(8) . .
N3 Mn1 Cl1 87.3(7) . .
N3 Mn1 Cl1 95.7(6) 2_655 .
N2 Mn1 Cl1 81.7(5) 2_655 .
N2 Mn1 Cl1 97.2(4) . .
N2A Mn1 Cl1 82.1(5) . .
N2A Mn1 Cl1 96.5(6) 2_655 .
Cl1A Mn1 Cl1 175.0(10) 2_655 .
Cl1A Mn1 Cl1 6.9(8) . .
N4 Mn2 N6 143.14(9) . 2_655
N4 Mn2 N6 143.14(9) . .
N6 Mn2 N6 73.72(18) 2_655 .
N4 Mn2 N5 70.28(8) . .
N6 Mn2 N5 145.20(13) 2_655 .
N6 Mn2 N5 73.66(12) . .
N4 Mn2 N5 70.28(8) . 2_655
N6 Mn2 N5 73.66(12) 2_655 2_655
N6 Mn2 N5 145.20(13) . 2_655
N5 Mn2 N5 140.56(16) . 2_655
N4 Mn2 Cl2A 82.6(9) . 2_655
N6 Mn2 Cl2A 92.1(9) 2_655 2_655
N6 Mn2 Cl2A 99.7(5) . 2_655
N5 Mn2 Cl2A 81.8(6) . 2_655
N5 Mn2 Cl2A 93.2(3) 2_655 2_655
N4 Mn2 Cl2A 82.6(9) . .
N6 Mn2 Cl2A 99.7(5) 2_655 .
N6 Mn2 Cl2A 92.1(9) . .
N5 Mn2 Cl2A 93.2(3) . .
N5 Mn2 Cl2A 81.8(6) 2_655 .
Cl2A Mn2 Cl2A 165.3(17) 2_655 .
N4 Mn2 Cl2 93.21(13) . 2_655
N6 Mn2 Cl2 80.77(17) 2_655 2_655
N6 Mn2 Cl2 94.06(12) . 2_655
N5 Mn2 Cl2 89.75(15) . 2_655
N5 Mn2 Cl2 92.41(12) 2_655 2_655
Cl2A Mn2 Cl2 11.6(8) 2_655 2_655
Cl2A Mn2 Cl2 173.7(9) . 2_655
N4 Mn2 Cl2 93.21(13) . .
N6 Mn2 Cl2 94.06(12) 2_655 .
N6 Mn2 Cl2 80.77(17) . .
N5 Mn2 Cl2 92.41(12) . .
N5 Mn2 Cl2 89.75(15) 2_655 .
Cl2A Mn2 Cl2 173.7(9) 2_655 .
Cl2A Mn2 Cl2 11.6(8) . .
Cl2 Mn2 Cl2 173.6(3) 2_655 .
C3 N1 C3 119.2(4) . 2_655
C3 N1 Mn1 120.4(2) . .
C3 N1 Mn1 120.4(2) 2_655 .
C6 N2 C4 113.9(8) . .
C6 N2 Mn1 113.7(4) . .
C4 N2 Mn1 110.6(6) . .
C6 N2 H2 106.0 . .
C4 N2 H2 106.0 . .
Mn1 N2 H2 106.0 . .
C8 N3 C7 114.8(16) . .
C8 N3 Mn1 113.4(12) . .
C7 N3 Mn1 109.9(9) . .
C8 N3 H3 106.0 . .
C7 N3 H3 106.0 . .
Mn1 N3 H3 106.0 . .
C7A N3A C8A 116.3(18) . .
C7A N3A Mn1 115.1(16) . .
C8A N3A Mn1 102.9(15) . .
C7A N3A H3A 107.3 . .
C8A N3A H3A 107.3 . .
Mn1 N3A H3A 107.3 . .
C11 N4 C11 119.8(5) . 2_655
C11 N4 Mn2 120.1(2) . .
C11 N4 Mn2 120.1(2) 2_655 .
C12 N5 C14 116.6(4) . .
C12 N5 Mn2 113.7(3) . .
C14 N5 Mn2 112.0(3) . .
C12 N5 H5 104.3 . .
C14 N5 H5 104.3 . .
Mn2 N5 H5 104.3 . .
C15 N6 C16 117.2(4) . .
C15 N6 Mn2 111.9(3) . .
C16 N6 Mn2 111.1(3) . .
C15 N6 H6 105.2 . .
C16 N6 H6 105.2 . .
Mn2 N6 H6 105.2 . .
C2 C1 C2 117.4(4) . 2_655
C2 C1 C9 121.3(2) . .
C2 C1 C9 121.3(2) 2_655 .
C3 C2 C1 120.0(3) . .
C3 C2 H2A 120.0 . .
C1 C2 H2A 120.0 . .
N1 C3 C2 121.7(3) . .
N1 C3 C4A 116.3(5) . .
C2 C3 C4A 120.0(5) . .
N1 C3 C4 113.1(4) . .
C2 C3 C4 124.2(4) . .
N2 C4 C5 116.4(7) . .
N2 C4 C3 108.7(7) . .
C5 C4 C3 110.6(6) . .
N2 C4 H4A 106.8 . .
C5 C4 H4A 106.8 . .
C3 C4 H4A 106.8 . .
C4A C5 H5A 100.8 . .
C4 C5 H5A 109.5 . .
C4A C5 H5B 91.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4A C5 H5C 133.7 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C4A C5 H5D 109.6 . .
C4 C5 H5D 120.0 . .
H5B C5 H5D 102.5 . .
H5C C5 H5D 105.4 . .
C4A C5 H5E 109.7 . .
C4 C5 H5E 120.5 . .
H5A C5 H5E 119.2 . .
H5C C5 H5E 85.2 . .
H5D C5 H5E 109.5 . .
C4A C5 H5F 109.1 . .
C4 C5 H5F 84.0 . .
H5A C5 H5F 108.0 . .
H5B C5 H5F 132.4 . .
H5D C5 H5F 109.5 . .
H5E C5 H5F 109.5 . .
C7A C6 N2 116.5(6) . .
C7A C6 N2A 113.4(7) . .
N2 C6 C7 109.3(6) . .
N2A C6 C7 120.5(6) . .
C7A C6 H6A 78.6 . .
N2 C6 H6A 109.8 . .
N2A C6 H6A 85.3 . .
C7 C6 H6A 109.8 . .
C7A C6 H6B 127.3 . .
N2 C6 H6B 109.8 . .
N2A C6 H6B 119.2 . .
C7 C6 H6B 109.8 . .
H6A C6 H6B 108.3 . .
C7A C6 H6C 108.1 . .
N2 C6 H6C 85.5 . .
N2A C6 H6C 108.9 . .
C7 C6 H6C 76.9 . .
H6A C6 H6C 158.9 . .
H6B C6 H6C 51.5 . .
C7A C6 H6D 109.4 . .
N2 C6 H6D 125.1 . .
N2A C6 H6D 109.2 . .
C7 C6 H6D 125.6 . .
H6A C6 H6D 51.8 . .
H6B C6 H6D 56.5 . .
H6C C6 H6D 107.7 . .
N3 C7 C6 110.0(10) . .
N3 C7 H7A 109.7 . .
C6 C7 H7A 109.7 . .
N3 C7 H7B 109.7 . .
C6 C7 H7B 109.7 . .
H7A C7 H7B 108.2 . .
N3 C8 C8 105.3(12) . 2_655
N3 C8 H8A 110.7 . .
C8 C8 H8A 110.7 2_655 .
N3 C8 H8B 110.7 . .
C8 C8 H8B 110.7 2_655 .
H8A C8 H8B 108.8 . .
C10 C9 C10 117.5(5) . 2_655
C10 C9 C1 121.2(2) . .
C10 C9 C1 121.2(2) 2_655 .
C11 C10 C9 119.7(3) . .
C11 C10 H10A 120.1 . .
C9 C10 H10A 120.1 . .
N4 C11 C10 121.6(4) . .
N4 C11 C12 115.0(3) . .
C10 C11 C12 123.2(3) . .
N5 C12 C13 117.6(4) . .
N5 C12 C11 109.7(3) . .
C13 C12 C11 113.4(4) . .
N5 C12 H12A 104.9 . .
C13 C12 H12A 104.9 . .
C11 C12 H12A 104.9 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
N5 C14 C15 109.7(4) . .
N5 C14 H14A 109.7 . .
C15 C14 H14A 109.7 . .
N5 C14 H14B 109.7 . .
C15 C14 H14B 109.7 . .
H14A C14 H14B 108.2 . .
N6 C15 C14 109.4(4) . .
N6 C15 H15A 109.8 . .
C14 C15 H15A 109.8 . .
N6 C15 H15B 109.8 . .
C14 C15 H15B 109.8 . .
H15A C15 H15B 108.2 . .
N6 C16 C16 108.0(3) . 2_655
N6 C16 H16A 110.1 . .
C16 C16 H16A 110.1 2_655 .
N6 C16 H16B 110.1 . .
C16 C16 H16B 110.1 2_655 .
H16A C16 H16B 108.4 . .
C100 O100 H100 107.2 . .
O100 C100 H10B 109.5 . .
O100 C100 H10C 109.5 . .
H10B C100 H10C 109.5 . .
O100 C100 H10D 109.5 . .
H10B C100 H10D 109.5 . .
H10C C100 H10D 109.5 . .
C200 O200 H200 109.5 . .
O200 C200 H20A 109.5 . .
O200 C200 H20B 109.5 . .
H20A C200 H20B 109.5 . .
O200 C200 H20C 109.5 . .
H20A C200 H20C 109.5 . .
H20B C200 H20C 109.5 . .
C4A N2A C6 118.7(11) . .
C4A N2A Mn1 114.2(9) . .
C6 N2A Mn1 108.1(6) . .
C4A N2A H2A1 104.8 . .
C6 N2A H2A1 104.8 . .
Mn1 N2A H2A1 104.8 . .
N2A C4A C5 114.5(12) . .
N2A C4A C3 104.0(10) . .
C5 C4A C3 117.6(9) . .
N2A C4A H4B 106.7 . .
C5 C4A H4B 106.7 . .
C3 C4A H4B 106.7 . .
N3A C7A C6 108.8(13) . .
N3A C7A H7C 109.9 . .
C6 C7A H7C 109.9 . .
N3A C7A H7D 109.9 . .
C6 C7A H7D 109.9 . .
H7C C7A H7D 108.3 . .
C8A C8A N3A 108.7(14) 2_655 .
C8A C8A H8A1 110.0 2_655 .
N3A C8A H8A1 110.0 . .
C8A C8A H8A2 110.0 2_655 .
N3A C8A H8A2 110.0 . .
H8A1 C8A H8A2 108.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 N1 2.264(4) .
Mn1 N3A 2.30(3) 2_655
Mn1 N3A 2.30(3) .
Mn1 N3 2.32(2) .
Mn1 N3 2.32(2) 2_655
Mn1 N2 2.328(8) 2_655
Mn1 N2 2.328(8) .
Mn1 N2A 2.371(11) .
Mn1 N2A 2.371(11) 2_655
Mn1 Cl1A 2.539(15) 2_655
Mn1 Cl1A 2.539(15) .
Mn1 Cl1 2.612(18) .
Mn2 N4 2.273(4) .
Mn2 N6 2.310(3) 2_655
Mn2 N6 2.310(3) .
Mn2 N5 2.322(4) .
Mn2 N5 2.322(4) 2_655
Mn2 Cl2A 2.579(9) 2_655
Mn2 Cl2A 2.579(9) .
Mn2 Cl2 2.593(3) 2_655
Mn2 Cl2 2.593(3) .
N1 C3 1.337(4) .
N1 C3 1.337(4) 2_655
N2 C6 1.424(8) .
N2 C4 1.464(12) .
N2 H2 0.9300 .
N3 C8 1.39(2) .
N3 C7 1.51(2) .
N3 H3 0.9300 .
N3A C7A 1.34(3) .
N3A C8A 1.63(3) .
N3A H3A 0.9300 .
N4 C11 1.331(4) .
N4 C11 1.331(4) 2_655
N5 C12 1.422(5) .
N5 C14 1.455(5) .
N5 H5 0.9300 .
N6 C15 1.423(6) .
N6 C16 1.457(5) .
N6 H6 0.9300 .
C1 C2 1.386(4) .
C1 C2 1.386(4) 2_655
C1 C9 1.487(7) .
C2 C3 1.384(5) .
C2 H2A 0.9500 .
C3 C4A 1.512(12) .
C3 C4 1.563(9) .
C4 C5 1.538(10) .
C4 H4A 1.0000 .
C5 C4A 1.470(13) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C5 H5D 0.9799 .
C5 H5E 0.9801 .
C5 H5F 0.9800 .
C6 C7A 1.413(11) .
C6 N2A 1.509(11) .
C6 C7 1.543(9) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C6 H6C 0.9900 .
C6 H6D 0.9901 .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C8 1.525(10) 2_655
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.390(4) .
C9 C10 1.390(4) 2_655
C10 C11 1.386(5) .
C10 H10A 0.9500 .
C11 C12 1.527(6) .
C12 C13 1.502(6) .
C12 H12A 1.0000 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 C15 1.519(7) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C16 1.507(10) 2_655
C16 H16A 0.9900 .
C16 H16B 0.9900 .
O100 C100 1.362(10) .
O100 H100 0.8715 .
C100 H10B 0.9800 .
C100 H10C 0.9800 .
C100 H10D 0.9800 .
O200 C200 1.396(7) .
O200 H200 0.8400 .
C200 H20A 0.9800 .
C200 H20B 0.9800 .
C200 H20C 0.9800 .
N2A C4A 1.441(19) .
N2A H2A1 0.9300 .
C4A H4B 1.0000 .
C7A H7C 0.9900 .
C7A H7D 0.9900 .
C8A C8A 1.477(16) 2_655
C8A H8A1 0.9900 .
C8A H8A2 0.9900 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 O100 0.93 2.46 3.363(13) 164.9 2_665
N2 H2 Cl1 0.93 2.78 3.24(2) 111.3 2_655
N3 H3 Cl1 0.93 2.99 3.41(3) 109.0 .
N5 H5 O200 0.93 2.23 3.158(7) 173.0 7_666
N5 H5 Cl2A 0.93 2.74 3.21(2) 112.8 2_655
N6 H6 Cl2 0.93 2.71 3.184(6) 112.7 .
N6 H6 Cl2 0.93 2.86 3.547(6) 132.0 5_665
O200 H200 Cl2A 0.84 1.92 2.74(2) 166.6 8_566
O200 H200 Cl2 0.84 2.23 3.071(7) 176.6 8_566
O100 H100 Cl1 0.87 2.03 2.90(2) 176.5 1_545
O100 H100 Cl1A 0.87 2.30 3.17(4) 178.5 1_545
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_4
N3A Mn1 N1 C3 171.8(9) 2_655 .
N3A Mn1 N1 C3 -8.2(9) . .
N3 Mn1 N1 C3 6.3(8) . .
N3 Mn1 N1 C3 -173.7(8) 2_655 .
N2 Mn1 N1 C3 170.8(3) 2_655 .
N2 Mn1 N1 C3 -9.2(3) . .
N2A Mn1 N1 C3 6.7(5) . .
N2A Mn1 N1 C3 -173.3(5) 2_655 .
Cl1A Mn1 N1 C3 -95.8(8) 2_655 .
Cl1A Mn1 N1 C3 84.2(8) . .
Cl1 Mn1 N1 C3 89.0(4) . .
N3A Mn1 N1 C3 -8.2(9) 2_655 2_655
N3A Mn1 N1 C3 171.8(9) . 2_655
N3 Mn1 N1 C3 -173.7(8) . 2_655
N3 Mn1 N1 C3 6.3(8) 2_655 2_655
N2 Mn1 N1 C3 -9.2(3) 2_655 2_655
N2 Mn1 N1 C3 170.8(3) . 2_655
N2A Mn1 N1 C3 -173.3(5) . 2_655
N2A Mn1 N1 C3 6.7(5) 2_655 2_655
Cl1A Mn1 N1 C3 84.2(8) 2_655 2_655
Cl1A Mn1 N1 C3 -95.8(8) . 2_655
Cl1 Mn1 N1 C3 -91.0(4) . 2_655
N1 Mn1 N2 C6 158.4(7) . .
N3A Mn1 N2 C6 -22.9(17) 2_655 .
N3A Mn1 N2 C6 -20.9(8) . .
N3 Mn1 N2 C6 -12.5(6) . .
N3 Mn1 N2 C6 -35.8(13) 2_655 .
N2 Mn1 N2 C6 158.4(7) 2_655 .
N2A Mn1 N2 C6 83.2(15) . .
N2A Mn1 N2 C6 -179.6(8) 2_655 .
Cl1A Mn1 N2 C6 -107.6(8) 2_655 .
Cl1A Mn1 N2 C6 66.5(11) . .
Cl1 Mn1 N2 C6 72.7(8) . .
N1 Mn1 N2 C4 28.8(7) . .
N3A Mn1 N2 C4 -152.5(13) 2_655 .
N3A Mn1 N2 C4 -150.5(12) . .
N3 Mn1 N2 C4 -142.1(11) . .
N3 Mn1 N2 C4 -165.4(8) 2_655 .
N2 Mn1 N2 C4 28.8(7) 2_655 .
N2A Mn1 N2 C4 -46.4(15) . .
N2A Mn1 N2 C4 50.8(8) 2_655 .
Cl1A Mn1 N2 C4 122.8(9) 2_655 .
Cl1A Mn1 N2 C4 -63.1(12) . .
Cl1 Mn1 N2 C4 -56.9(9) . .
N1 Mn1 N3 C8 -161.7(7) . .
N3A Mn1 N3 C8 28.2(14) 2_655 .
N3A Mn1 N3 C8 -102(7) . .
N3 Mn1 N3 C8 18.3(7) 2_655 .
N2 Mn1 N3 C8 42.4(18) 2_655 .
N2 Mn1 N3 C8 -146.4(14) . .
N2A Mn1 N3 C8 -162.1(15) . .
N2A Mn1 N3 C8 18(2) 2_655 .
Cl1A Mn1 N3 C8 -59.9(16) 2_655 .
Cl1A Mn1 N3 C8 116.6(13) . .
Cl1 Mn1 N3 C8 115.4(13) . .
N1 Mn1 N3 C7 -31.7(18) . .
N3A Mn1 N3 C7 158.2(11) 2_655 .
N3A Mn1 N3 C7 28(5) . .
N3 Mn1 N3 C7 148.3(18) 2_655 .
N2 Mn1 N3 C7 172.4(6) 2_655 .
N2 Mn1 N3 C7 -16.4(10) . .
N2A Mn1 N3 C7 -32.0(10) . .
N2A Mn1 N3 C7 147.7(8) 2_655 .
Cl1A Mn1 N3 C7 70.1(16) 2_655 .
Cl1A Mn1 N3 C7 -113.4(12) . .
Cl1 Mn1 N3 C7 -114.5(12) . .
N1 Mn1 N3A C7A 37(2) . .
N3A Mn1 N3A C7A -143(2) 2_655 .
N3 Mn1 N3A C7A -94(6) . .
N3 Mn1 N3A C7A -151.1(16) 2_655 .
N2 Mn1 N3A C7A -140.7(12) 2_655 .
N2 Mn1 N3A C7A 38.4(13) . .
N2A Mn1 N3A C7A 22.7(12) . .
N2A Mn1 N3A C7A -171.7(9) 2_655 .
Cl1A Mn1 N3A C7A 127.7(18) 2_655 .
Cl1A Mn1 N3A C7A -56.4(15) . .
Cl1 Mn1 N3A C7A -56.8(15) . .
N1 Mn1 N3A C8A 164.9(7) . .
N3A Mn1 N3A C8A -15.1(7) 2_655 .
N3 Mn1 N3A C8A 33(5) . .
N3 Mn1 N3A C8A -23.6(14) 2_655 .
N2 Mn1 N3A C8A -13(2) 2_655 .
N2 Mn1 N3A C8A 165.9(16) . .
N2A Mn1 N3A C8A 150.2(15) . .
N2A Mn1 N3A C8A -44(2) 2_655 .
Cl1A Mn1 N3A C8A -104.8(17) 2_655 .
Cl1A Mn1 N3A C8A 71.1(13) . .
Cl1 Mn1 N3A C8A 70.7(13) . .
N6 Mn2 N4 C11 178.6(3) 2_655 .
N6 Mn2 N4 C11 -1.4(3) . .
N5 Mn2 N4 C11 11.2(2) . .
N5 Mn2 N4 C11 -168.8(2) 2_655 .
Cl2A Mn2 N4 C11 95.1(5) 2_655 .
Cl2A Mn2 N4 C11 -84.9(5) . .
Cl2 Mn2 N4 C11 99.8(2) 2_655 .
Cl2 Mn2 N4 C11 -80.2(2) . .
N6 Mn2 N4 C11 -1.4(3) 2_655 2_655
N6 Mn2 N4 C11 178.6(3) . 2_655
N5 Mn2 N4 C11 -168.8(2) . 2_655
N5 Mn2 N4 C11 11.2(2) 2_655 2_655
Cl2A Mn2 N4 C11 -84.9(5) 2_655 2_655
Cl2A Mn2 N4 C11 95.1(5) . 2_655
Cl2 Mn2 N4 C11 -80.2(2) 2_655 2_655
Cl2 Mn2 N4 C11 99.8(2) . 2_655
N4 Mn2 N5 C12 -26.6(3) . .
N6 Mn2 N5 C12 166.6(3) 2_655 .
N6 Mn2 N5 C12 145.6(4) . .
N5 Mn2 N5 C12 -26.6(3) 2_655 .
Cl2A Mn2 N5 C12 -111.7(8) 2_655 .
Cl2A Mn2 N5 C12 54.4(10) . .
Cl2 Mn2 N5 C12 -120.1(3) 2_655 .
Cl2 Mn2 N5 C12 65.9(4) . .
N4 Mn2 N5 C14 -161.5(3) . .
N6 Mn2 N5 C14 31.7(5) 2_655 .
N6 Mn2 N5 C14 10.7(3) . .
N5 Mn2 N5 C14 -161.5(3) 2_655 .
Cl2A Mn2 N5 C14 113.4(8) 2_655 .
Cl2A Mn2 N5 C14 -80.5(10) . .
Cl2 Mn2 N5 C14 105.0(3) 2_655 .
Cl2 Mn2 N5 C14 -69.0(4) . .
N4 Mn2 N6 C15 31.1(4) . .
N6 Mn2 N6 C15 -148.9(4) 2_655 .
N5 Mn2 N6 C15 18.8(3) . .
N5 Mn2 N6 C15 -169.9(3) 2_655 .
Cl2A Mn2 N6 C15 -59.6(9) 2_655 .
Cl2A Mn2 N6 C15 111.5(5) . .
Cl2 Mn2 N6 C15 -69.8(4) 2_655 .
Cl2 Mn2 N6 C15 114.1(3) . .
N4 Mn2 N6 C16 164.1(2) . .
N6 Mn2 N6 C16 -15.9(2) 2_655 .
N5 Mn2 N6 C16 151.8(3) . .
N5 Mn2 N6 C16 -36.9(4) 2_655 .
Cl2A Mn2 N6 C16 73.4(9) 2_655 .
Cl2A Mn2 N6 C16 -115.5(4) . .
Cl2 Mn2 N6 C16 63.2(3) 2_655 .
Cl2 Mn2 N6 C16 -113.0(3) . .
C2 C1 C2 C3 -0.3(2) 2_655 .
C9 C1 C2 C3 179.7(2) . .
C3 N1 C3 C2 -0.3(3) 2_655 .
Mn1 N1 C3 C2 179.7(3) . .
C3 N1 C3 C4A -164.3(8) 2_655 .
Mn1 N1 C3 C4A 15.7(8) . .
C3 N1 C3 C4 168.8(5) 2_655 .
Mn1 N1 C3 C4 -11.2(5) . .
C1 C2 C3 N1 0.5(5) . .
C1 C2 C3 C4A 163.9(8) . .
C1 C2 C3 C4 -167.3(6) . .
C6 N2 C4 C5 61.7(13) . .
Mn1 N2 C4 C5 -168.7(5) . .
C6 N2 C4 C3 -172.5(5) . .
Mn1 N2 C4 C3 -43.0(10) . .
N1 C3 C4 N2 36.2(10) . .
C2 C3 C4 N2 -155.1(7) . .
C4A C3 C4 N2 -66.8(15) . .
N1 C3 C4 C5 165.2(5) . .
C2 C3 C4 C5 -26.0(9) . .
C4A C3 C4 C5 62.3(16) . .
N2 C4 C5 C4A 61.5(15) . .
C3 C4 C5 C4A -63.3(15) . .
C4 N2 C6 C7A 132.6(8) . .
Mn1 N2 C6 C7A 4.7(13) . .
C4 N2 C6 N2A 44.2(15) . .
Mn1 N2 C6 N2A -83.8(15) . .
C4 N2 C6 C7 166.3(7) . .
Mn1 N2 C6 C7 38.3(10) . .
C8 N3 C7 C6 171.0(11) . .
Mn1 N3 C7 C6 41.7(14) . .
C7A C6 C7 N3 56.1(14) . .
N2 C6 C7 N3 -53.5(14) . .
N2A C6 C7 N3 -29.4(17) . .
C7 N3 C8 C8 -175.6(12) . 2_655
Mn1 N3 C8 C8 -48.1(18) . 2_655
C2 C1 C9 C10 19.8(2) . .
C2 C1 C9 C10 -160.2(2) 2_655 .
C2 C1 C9 C10 -160.2(2) . 2_655
C2 C1 C9 C10 19.8(2) 2_655 2_655
C10 C9 C10 C11 1.1(3) 2_655 .
C1 C9 C10 C11 -178.9(3) . .
C11 N4 C11 C10 1.1(3) 2_655 .
Mn2 N4 C11 C10 -178.9(3) . .
C11 N4 C11 C12 -175.0(4) 2_655 .
Mn2 N4 C11 C12 5.0(4) . .
C9 C10 C11 N4 -2.2(6) . .
C9 C10 C11 C12 173.6(4) . .
C14 N5 C12 C13 -58.4(6) . .
Mn2 N5 C12 C13 168.9(4) . .
C14 N5 C12 C11 170.0(4) . .
Mn2 N5 C12 C11 37.3(5) . .
N4 C11 C12 N5 -28.0(5) . .
C10 C11 C12 N5 156.0(4) . .
N4 C11 C12 C13 -161.8(4) . .
C10 C11 C12 C13 22.2(7) . .
C12 N5 C14 C15 -170.4(4) . .
Mn2 N5 C14 C15 -36.9(5) . .
C16 N6 C15 C14 -174.3(4) . .
Mn2 N6 C15 C14 -44.4(5) . .
N5 C14 C15 N6 54.4(6) . .
C15 N6 C16 C16 174.8(4) . 2_655
Mn2 N6 C16 C16 44.6(5) . 2_655
C7A C6 N2A C4A -165.0(11) . .
N2 C6 N2A C4A -62.0(19) . .
C7 C6 N2A C4A -130.2(11) . .
C7A C6 N2A Mn1 -33.0(14) . .
N2 C6 N2A Mn1 70.0(14) . .
C7 C6 N2A Mn1 1.8(14) . .
N1 Mn1 N2A C4A -29.4(12) . .
N3A Mn1 N2A C4A 170.8(12) 2_655 .
N3A Mn1 N2A C4A 140.2(16) . .
N3 Mn1 N2A C4A 150.3(16) . .
N3 Mn1 N2A C4A 151.0(10) 2_655 .
N2 Mn1 N2A C4A -51.9(13) 2_655 .
N2 Mn1 N2A C4A 70.0(19) . .
N2A Mn1 N2A C4A -29.4(12) 2_655 .
Cl1A Mn1 N2A C4A 58.8(14) 2_655 .
Cl1A Mn1 N2A C4A -127.0(17) . .
Cl1 Mn1 N2A C4A -120.5(14) . .
N1 Mn1 N2A C6 -163.9(9) . .
N3A Mn1 N2A C6 36.4(19) 2_655 .
N3A Mn1 N2A C6 5.8(8) . .
N3 Mn1 N2A C6 15.9(7) . .
N3 Mn1 N2A C6 16.5(18) 2_655 .
N2 Mn1 N2A C6 173.6(7) 2_655 .
N2 Mn1 N2A C6 -64.5(13) . .
N2A Mn1 N2A C6 -163.9(9) 2_655 .
Cl1A Mn1 N2A C6 -75.6(9) 2_655 .
Cl1A Mn1 N2A C6 98.5(13) . .
Cl1 Mn1 N2A C6 105.0(9) . .
C6 N2A C4A C5 -57(2) . .
Mn1 N2A C4A C5 173.6(6) . .
C6 N2A C4A C3 173.2(7) . .
Mn1 N2A C4A C3 43.9(16) . .
C4 C5 C4A N2A -45.3(16) . .
C4 C5 C4A C3 77.3(18) . .
N1 C3 C4A N2A -38.7(16) . .
C2 C3 C4A N2A 157.0(10) . .
C4 C3 C4A N2A 49.7(15) . .
N1 C3 C4A C5 -166.6(8) . .
C2 C3 C4A C5 29.2(16) . .
C4 C3 C4A C5 -78.1(19) . .
C8A N3A C7A C6 -168.7(15) . .
Mn1 N3A C7A C6 -48.3(18) . .
N2 C6 C7A N3A 27(2) . .
N2A C6 C7A N3A 54(2) . .
C7 C6 C7A N3A -56.7(17) . .
C7A N3A C8A C8A 174.6(19) . 2_655
Mn1 N3A C8A C8A 47.9(19) . 2_655
