#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:29:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179181 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/29/4312967.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_4312967
loop_
_publ_author_name
'Albert Escuer'
'Núria Sanz'
'Ramon Vicente'
'Franz A. Mautner'
_publ_section_title
;
 Molecular, 1D, and 2D Systems Built from Phenylcyanamido Ligands.
 Syntheses, Crystal Structures, and Characterization of Their Magnetic
 Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              541
_journal_page_last               551
_journal_paper_doi               10.1021/ic025931l
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C50 H40 Cl4 Mn2 N12 O2'
_chemical_formula_weight         546.31
_chemical_name_common            '[Mn(2,2'-bipy)(3-Cl(C6H4)NCN)2(MeOH)]2'
_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
_cell_angle_alpha                88.71(2)
_cell_angle_beta                 77.04(3)
_cell_angle_gamma                83.16(3)
_cell_formula_units_Z            1
_cell_length_a                   9.683(3)
_cell_length_b                   10.826(4)
_cell_length_c                   11.926(3)
_cell_measurement_reflns_used    38
_cell_measurement_temperature    87(2)
_cell_measurement_theta_max      14.5
_cell_measurement_theta_min      9.6
_cell_volume                     1209.7(7)
_computing_molecular_graphics    'SHELXTL/PC v.5.03 (Siemens Ind. Aut.)'
_computing_publication_material  'SHELXTL/PC v.5.03 (Siemens Ind. Aut.)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      87(2)
_diffrn_measurement_device       'mod. STOE 4-circle diffractometer'
_diffrn_measurement_method       'Omega-scan; delta Omega: 1.70 deg.'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_sigmaI/netI    0.0451
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            4894
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.96
_diffrn_standards_decay_%        26
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  '80 min'
_diffrn_standards_number         '3  (0 -1 -2; 0 -2 -5, 4 0 0)'
_exptl_absorpt_coefficient_mu    0.798
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_description       irregular
_exptl_crystal_F_000             558
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.350
_refine_diff_density_min         -0.706
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.083
_refine_ls_goodness_of_fit_obs   1.090
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         4190
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.107
_refine_ls_restrained_S_obs      1.090
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_obs          0.0499
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0837P)²+0.7397P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1425
_refine_ls_wR_factor_obs         0.1316
_reflns_number_observed          3739
_reflns_number_total             4218
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic025931l_s1_2.cif
_cod_data_source_block           ns204a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0837P)^2^+0.7397P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0837P)^2^+0.7397P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4312967
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Mn1 Mn 0.07492(4) 0.96860(4) 0.19983(3) 0.0244(2) Uani 1 d . .
N1 N 0.2590(3) 0.8614(2) 0.0663(2) 0.0285(5) Uani 1 d . .
C1 C 0.2432(3) 0.7982(3) -0.0237(3) 0.0319(7) Uani 1 d . .
H1 H 0.1512(3) 0.7958(3) -0.0342(3) 0.038 Uiso 1 calc R .
C2 C 0.3548(3) 0.7362(3) -0.1022(3) 0.0343(7) Uani 1 d . .
H2 H 0.3386(3) 0.6933(3) -0.1638(3) 0.041 Uiso 1 calc R .
C3 C 0.4910(4) 0.7396(3) -0.0868(3) 0.0441(8) Uani 1 d . .
H3 H 0.5690(4) 0.6979(3) -0.1374(3) 0.053 Uiso 1 calc R .
C4 C 0.5095(3) 0.8056(3) 0.0045(3) 0.0419(8) Uani 1 d . .
H4 H 0.6009(3) 0.8111(3) 0.0149(3) 0.050 Uiso 1 calc R .
C5 C 0.3916(3) 0.8644(3) 0.0813(3) 0.0300(6) Uani 1 d . .
C6 C 0.4057(3) 0.9310(3) 0.1845(3) 0.0295(6) Uani 1 d . .
C7 C 0.5371(3) 0.9420(3) 0.2092(3) 0.0361(7) Uani 1 d . .
H7 H 0.6211(3) 0.9105(3) 0.1586(3) 0.043 Uiso 1 calc R .
C8 C 0.5416(4) 0.9997(3) 0.3094(3) 0.0398(8) Uani 1 d . .
H8 H 0.6288(4) 1.0077(3) 0.3273(3) 0.048 Uiso 1 calc R .
C9 C 0.4164(4) 1.0458(3) 0.3829(3) 0.0372(7) Uani 1 d . .
H9 H 0.4170(4) 1.0837(3) 0.4519(3) 0.045 Uiso 1 calc R .
C10 C 0.2902(3) 1.0344(3) 0.3519(3) 0.0313(6) Uani 1 d . .
H10 H 0.2055(3) 1.0672(3) 0.4009(3) 0.038 Uiso 1 calc R .
N2 N 0.2831(3) 0.9785(2) 0.2548(2) 0.0279(5) Uani 1 d . .
N3 N 0.0878(2) 1.0773(2) -0.1132(2) 0.0273(5) Uani 1 d . .
C11 C 0.0997(3) 1.1085(3) -0.0226(3) 0.0265(6) Uani 1 d . .
N4 N 0.1106(3) 1.1356(2) 0.0798(2) 0.0261(5) Uani 1 d . .
C12 C 0.1244(3) 1.2604(3) 0.1012(2) 0.0261(6) Uani 1 d . .
C13 C 0.1223(3) 1.2946(3) 0.2139(2) 0.0278(6) Uani 1 d . .
H13 H 0.1108(3) 1.2363(3) 0.2728(2) 0.033 Uiso 1 calc R .
C14 C 0.1376(3) 1.4161(3) 0.2368(2) 0.0288(6) Uani 1 d . .
C15 C 0.1556(3) 1.5057(3) 0.1526(3) 0.0321(7) Uani 1 d . .
H15 H 0.1659(3) 1.5870(3) 0.1698(3) 0.039 Uiso 1 calc R .
C16 C 0.1577(3) 1.4704(3) 0.0415(3) 0.0332(7) Uani 1 d . .
H16 H 0.1703(3) 1.5289(3) -0.0171(3) 0.040 Uiso 1 calc R .
C17 C 0.1415(3) 1.3498(3) 0.0156(3) 0.0303(6) Uani 1 d . .
H17 H 0.1421(3) 1.3286(3) -0.0597(3) 0.036 Uiso 1 calc R .
Cl1 Cl 0.13301(9) 1.45621(7) 0.37792(6) 0.0377(2) Uani 1 d . .
N5 N -0.0515(3) 1.0686(2) 0.3478(2) 0.0321(6) Uani 1 d . .
C18 C -0.1106(3) 1.1338(3) 0.4249(2) 0.0272(6) Uani 1 d . .
N6 N -0.1680(3) 1.2021(2) 0.5139(2) 0.0288(5) Uani 1 d . .
C19 C -0.3059(3) 1.2620(3) 0.5225(2) 0.0280(6) Uani 1 d . .
C20 C -0.3780(3) 1.3123(3) 0.6286(3) 0.0307(6) Uani 1 d . .
H20 H -0.3337(3) 1.3085(3) 0.6904(3) 0.037 Uiso 1 calc R .
C21 C -0.5163(3) 1.3680(3) 0.6411(3) 0.0321(7) Uani 1 d . .
C22 C -0.5858(3) 1.3782(3) 0.5524(3) 0.0359(7) Uani 1 d . .
H22 H -0.6793(3) 1.4160(3) 0.5633(3) 0.043 Uiso 1 calc R .
C23 C -0.5127(3) 1.3306(3) 0.4465(3) 0.0363(7) Uani 1 d . .
H23 H -0.5568(3) 1.3376(3) 0.3845(3) 0.044 Uiso 1 calc R .
C24 C -0.3746(3) 1.2726(3) 0.4314(3) 0.0308(6) Uani 1 d . .
H24 H -0.3272(3) 1.2404(3) 0.3596(3) 0.037 Uiso 1 calc R .
Cl2 Cl -0.60509(10) 1.42631(8) 0.77635(7) 0.0467(2) Uani 1 d . .
O1 O 0.0511(2) 0.7952(2) 0.3010(2) 0.0285(4) Uani 1 d D .
H26 H 0.0817(43) 0.8073(38) 0.3634(24) 0.055(12) Uiso 1 d D .
C25 C -0.0851(3) 0.7531(3) 0.3407(3) 0.0351(7) Uani 1 d . .
H25A H -0.0831(7) 0.6994(16) 0.4056(12) 0.042 Uiso 1 calc R .
H25B H -0.1081(10) 0.7081(17) 0.2802(6) 0.042 Uiso 1 calc R .
H25C H -0.1559(5) 0.8232(3) 0.3631(17) 0.042 Uiso 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'
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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
N5 Mn1 N3 101.75(10) . 2_575 yes
N5 Mn1 O1 88.11(9) . . yes
N3 Mn1 O1 89.13(9) 2_575 . yes
N5 Mn1 N2 93.69(10) . . yes
N3 Mn1 N2 164.24(9) 2_575 . yes
O1 Mn1 N2 88.21(9) . . yes
N5 Mn1 N4 97.56(9) . . yes
N3 Mn1 N4 89.12(9) 2_575 . yes
O1 Mn1 N4 174.30(8) . . yes
N2 Mn1 N4 92.02(9) . . yes
N5 Mn1 N1 164.79(10) . . yes
N3 Mn1 N1 93.15(9) 2_575 . yes
O1 Mn1 N1 89.11(9) . . yes
N2 Mn1 N1 71.28(9) . . yes
N4 Mn1 N1 85.57(9) . . yes
C1 N1 C5 117.9(3) . . ?
C1 N1 Mn1 125.3(2) . . ?
C5 N1 Mn1 116.8(2) . . ?
N1 C1 C2 124.0(3) . . ?
N1 C1 H1 118.0(2) . . ?
C2 C1 H1 118.0(2) . . ?
C3 C2 C1 118.1(3) . . ?
C3 C2 H2 121.0(2) . . ?
C1 C2 H2 121.0(2) . . ?
C4 C3 C2 118.7(3) . . ?
C4 C3 H3 120.6(2) . . ?
C2 C3 H3 120.6(2) . . ?
C3 C4 C5 120.0(3) . . ?
C3 C4 H4 120.0(2) . . ?
C5 C4 H4 120.0(2) . . ?
N1 C5 C4 121.3(3) . . ?
N1 C5 C6 116.8(3) . . ?
C4 C5 C6 121.9(3) . . ?
N2 C6 C7 121.5(3) . . ?
N2 C6 C5 116.0(3) . . ?
C7 C6 C5 122.4(3) . . ?
C8 C7 C6 119.2(3) . . ?
C8 C7 H7 120.4(2) . . ?
C6 C7 H7 120.4(2) . . ?
C7 C8 C9 119.5(3) . . ?
C7 C8 H8 120.2(2) . . ?
C9 C8 H8 120.2(2) . . ?
C10 C9 C8 118.3(3) . . ?
C10 C9 H9 120.8(2) . . ?
C8 C9 H9 120.8(2) . . ?
N2 C10 C9 123.3(3) . . ?
N2 C10 H10 118.4(2) . . ?
C9 C10 H10 118.4(2) . . ?
C10 N2 C6 118.2(3) . . ?
C10 N2 Mn1 123.0(2) . . ?
C6 N2 Mn1 118.8(2) . . ?
C11 N3 Mn1 140.3(2) . 2_575 yes
N3 C11 N4 176.2(3) . . yes
C11 N4 C12 117.0(2) . . yes
C11 N4 Mn1 110.7(2) . . yes
C12 N4 Mn1 131.8(2) . . yes
C17 C12 C13 118.9(3) . . ?
C17 C12 N4 123.0(3) . . ?
C13 C12 N4 118.1(3) . . ?
C14 C13 C12 119.1(3) . . ?
C14 C13 H13 120.4(2) . . ?
C12 C13 H13 120.4(2) . . ?
C15 C14 C13 122.6(3) . . ?
C15 C14 Cl1 119.3(2) . . ?
C13 C14 Cl1 118.1(2) . . ?
C14 C15 C16 117.6(3) . . ?
C14 C15 H15 121.2(2) . . ?
C16 C15 H15 121.2(2) . . ?
C15 C16 C17 121.4(3) . . ?
C15 C16 H16 119.3(2) . . ?
C17 C16 H16 119.3(2) . . ?
C16 C17 C12 120.4(3) . . ?
C16 C17 H17 119.8(2) . . ?
C12 C17 H17 119.8(2) . . ?
C18 N5 Mn1 172.3(2) . . yes
N5 C18 N6 175.5(3) . . yes
C18 N6 C19 118.5(2) . . yes
C20 C19 C24 118.7(3) . . ?
C20 C19 N6 117.7(3) . . ?
C24 C19 N6 123.6(3) . . ?
C21 C20 C19 119.1(3) . . ?
C21 C20 H20 120.5(2) . . ?
C19 C20 H20 120.5(2) . . ?
C22 C21 C20 122.9(3) . . ?
C22 C21 Cl2 119.3(2) . . ?
C20 C21 Cl2 117.8(2) . . ?
C21 C22 C23 117.9(3) . . ?
C21 C22 H22 121.1(2) . . ?
C23 C22 H22 121.1(2) . . ?
C22 C23 C24 120.7(3) . . ?
C22 C23 H23 119.6(2) . . ?
C24 C23 H23 119.6(2) . . ?
C23 C24 C19 120.7(3) . . ?
C23 C24 H24 119.6(2) . . ?
C19 C24 H24 119.6(2) . . ?
C25 O1 Mn1 121.0(2) . . yes
C25 O1 H26 105(3) . . yes
O1 H26 N6 167(4) . 2_576 yes
Mn1 O1 H26 106(3) . . ?
O1 C25 H25A 109.5(2) . . ?
O1 C25 H25B 109.5(2) . . ?
H25A C25 H25B 109.5 . . ?
O1 C25 H25C 109.5(2) . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
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 Mn1 5.292(2) 2_575 yes
Mn1 N5 2.142(3) . yes
Mn1 N3 2.177(2) 2_575 yes
Mn1 O1 2.215(2) . yes
Mn1 N2 2.270(3) . yes
Mn1 N4 2.291(2) . yes
Mn1 N1 2.319(3) . yes
N1 C1 1.332(4) . ?
N1 C5 1.340(4) . ?
C1 C2 1.377(4) . ?
C1 H1 0.93 . ?
C2 C3 1.376(5) . ?
C2 H2 0.93 . ?
C3 C4 1.372(5) . ?
C3 H3 0.93 . ?
C4 C5 1.390(4) . ?
C4 H4 0.93 . ?
C5 C6 1.481(4) . ?
C6 N2 1.343(4) . ?
C6 C7 1.388(4) . ?
C7 C8 1.372(5) . ?
C7 H7 0.93 . ?
C8 C9 1.374(5) . ?
C8 H8 0.93 . ?
C9 C10 1.372(4) . ?
C9 H9 0.93 . ?
C10 N2 1.338(4) . ?
C10 H10 0.93 . ?
N3 C11 1.173(4) . yes
N3 Mn1 2.177(2) 2_575 ?
C11 N4 1.292(4) . yes
N4 C12 1.408(4) . yes
C12 C17 1.388(4) . ?
C12 C13 1.397(4) . ?
C13 C14 1.381(4) . ?
C13 H13 0.93 . ?
C14 C15 1.378(4) . ?
C14 Cl1 1.737(3) . yes
C15 C16 1.382(4) . ?
C15 H15 0.93 . ?
C16 C17 1.382(4) . ?
C16 H16 0.93 . ?
C17 H17 0.93 . ?
N5 C18 1.170(4) . yes
C18 N6 1.286(4) . yes
N6 C19 1.396(4) . yes
C19 C20 1.390(4) . ?
C19 C24 1.392(4) . ?
C20 C21 1.378(4) . ?
C20 H20 0.93 . ?
C21 C22 1.371(5) . ?
C21 Cl2 1.742(3) . yes
C22 C23 1.380(5) . ?
C22 H22 0.93 . ?
C23 C24 1.382(4) . ?
C23 H23 0.93 . ?
C24 H24 0.93 . ?
O1 C25 1.423(4) . ?
O1 H26 0.88(2) . yes
O1 N6 2.700(3) 2_576 yes
H26 N6 1.84(2) 2_576 yes
C25 H25A 0.96 . ?
C25 H25B 0.96 . ?
C25 H25C 0.96 . ?
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
N5 Mn1 N1 C1 167.3(3) . . . . ?
N3 Mn1 N1 C1 -1.3(2) 2_575 . . . ?
O1 Mn1 N1 C1 87.8(2) . . . . ?
N2 Mn1 N1 C1 176.2(3) . . . . ?
N4 Mn1 N1 C1 -90.1(2) . . . . ?
N5 Mn1 N1 C5 -13.1(5) . . . . ?
N3 Mn1 N1 C5 178.4(2) 2_575 . . . ?
O1 Mn1 N1 C5 -92.6(2) . . . . ?
N2 Mn1 N1 C5 -4.2(2) . . . . ?
N4 Mn1 N1 C5 89.5(2) . . . . ?
C5 N1 C1 C2 -0.2(5) . . . . ?
Mn1 N1 C1 C2 179.4(2) . . . . ?
N1 C1 C2 C3 0.0(5) . . . . ?
C1 C2 C3 C4 -0.9(5) . . . . ?
C2 C3 C4 C5 2.0(6) . . . . ?
C1 N1 C5 C4 1.2(4) . . . . ?
Mn1 N1 C5 C4 -178.4(2) . . . . ?
C1 N1 C5 C6 -177.6(3) . . . . ?
Mn1 N1 C5 C6 2.7(3) . . . . ?
C3 C4 C5 N1 -2.2(5) . . . . ?
C3 C4 C5 C6 176.6(3) . . . . ?
N1 C5 C6 N2 2.0(4) . . . . ?
C4 C5 C6 N2 -176.8(3) . . . . ?
N1 C5 C6 C7 -179.3(3) . . . . ?
C4 C5 C6 C7 1.8(5) . . . . ?
N2 C6 C7 C8 1.8(5) . . . . ?
C5 C6 C7 C8 -176.8(3) . . . . ?
C6 C7 C8 C9 -0.2(5) . . . . ?
C7 C8 C9 C10 -1.3(5) . . . . ?
C8 C9 C10 N2 1.4(5) . . . . ?
C9 C10 N2 C6 0.2(4) . . . . ?
C9 C10 N2 Mn1 -176.8(2) . . . . ?
C7 C6 N2 C10 -1.8(4) . . . . ?
C5 C6 N2 C10 176.9(3) . . . . ?
C7 C6 N2 Mn1 175.4(2) . . . . ?
C5 C6 N2 Mn1 -6.0(3) . . . . ?
N5 Mn1 N2 C10 0.1(2) . . . . ?
N3 Mn1 N2 C10 -168.3(3) 2_575 . . . ?
O1 Mn1 N2 C10 -87.9(2) . . . . ?
N4 Mn1 N2 C10 97.8(2) . . . . ?
N1 Mn1 N2 C10 -177.6(2) . . . . ?
N5 Mn1 N2 C6 -176.9(2) . . . . ?
N3 Mn1 N2 C6 14.7(4) 2_575 . . . ?
O1 Mn1 N2 C6 95.1(2) . . . . ?
N4 Mn1 N2 C6 -79.2(2) . . . . ?
N1 Mn1 N2 C6 5.4(2) . . . . ?
Mn1 N3 C11 N4 67.1(44) 2_575 . . . ?
N3 C11 N4 C12 -169.7(42) . . . . ?
N3 C11 N4 Mn1 3.2(44) . . . . ?
N5 Mn1 N4 C11 -138.9(2) . . . . ?
N3 Mn1 N4 C11 -37.2(2) 2_575 . . . ?
O1 Mn1 N4 C11 35.0(9) . . . . ?
N2 Mn1 N4 C11 127.1(2) . . . . ?
N1 Mn1 N4 C11 56.1(2) . . . . ?
N5 Mn1 N4 C12 32.6(2) . . . . ?
N3 Mn1 N4 C12 134.3(2) 2_575 . . . ?
O1 Mn1 N4 C12 -153.6(7) . . . . ?
N2 Mn1 N4 C12 -61.4(2) . . . . ?
N1 Mn1 N4 C12 -132.5(2) . . . . ?
C11 N4 C12 C17 -6.9(4) . . . . ?
Mn1 N4 C12 C17 -178.0(2) . . . . ?
C11 N4 C12 C13 173.9(3) . . . . ?
Mn1 N4 C12 C13 2.8(4) . . . . ?
C17 C12 C13 C14 -0.1(4) . . . . ?
N4 C12 C13 C14 179.1(2) . . . . ?
C12 C13 C14 C15 -0.3(4) . . . . ?
C12 C13 C14 Cl1 179.4(2) . . . . ?
C13 C14 C15 C16 0.1(4) . . . . ?
Cl1 C14 C15 C16 -179.6(2) . . . . ?
C14 C15 C16 C17 0.4(5) . . . . ?
C15 C16 C17 C12 -0.8(5) . . . . ?
C13 C12 C17 C16 0.7(4) . . . . ?
N4 C12 C17 C16 -178.6(3) . . . . ?
N3 Mn1 N5 C18 -127.2(17) 2_575 . . . ?
O1 Mn1 N5 C18 144.0(17) . . . . ?
N2 Mn1 N5 C18 56.0(17) . . . . ?
N4 Mn1 N5 C18 -36.6(18) . . . . ?
N1 Mn1 N5 C18 64.5(19) . . . . ?
Mn1 N5 C18 N6 -83.6(46) . . . . ?
N5 C18 N6 C19 -167.3(40) . . . . ?
C18 N6 C19 C20 166.2(3) . . . . ?
C18 N6 C19 C24 -13.2(4) . . . . ?
C24 C19 C20 C21 1.8(4) . . . . ?
N6 C19 C20 C21 -177.6(3) . . . . ?
C19 C20 C21 C22 -1.3(5) . . . . ?
C19 C20 C21 Cl2 178.3(2) . . . . ?
C20 C21 C22 C23 -0.2(5) . . . . ?
Cl2 C21 C22 C23 -179.7(2) . . . . ?
C21 C22 C23 C24 1.1(5) . . . . ?
C22 C23 C24 C19 -0.6(5) . . . . ?
C20 C19 C24 C23 -0.9(4) . . . . ?
N6 C19 C24 C23 178.4(3) . . . . ?
N5 Mn1 O1 C25 64.0(2) . . . . ?
N3 Mn1 O1 C25 -37.7(2) 2_575 . . . ?
N2 Mn1 O1 C25 157.8(2) . . . . ?
N4 Mn1 O1 C25 -109.9(8) . . . . ?
N1 Mn1 O1 C25 -130.9(2) . . . . ?
