#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:26:16 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179790 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/86/7008674.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_7008674
loop_
_publ_author_name
'Davies, Christopher J.'
'Fawcett, John'
'Shutt, Richard'
'Solan, Gregory A.'
_publ_section_title
;
 Substituted N-picolylethylenediamines of the type
 (ArNHCH2CH2){(2-C5H4N)CH2}NR [R = Me, 4-CH2=CH(C6H4)CH2, (2-C5H4N)CH2]
 and their transition metal(II) halide complexes.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2630
_journal_page_last               2640
_journal_paper_doi               10.1039/b505763a
_journal_year                    2005
_chemical_formula_moiety         '(C22 H26 Cl2 N4 Mn) (C2 H3 N)'
_chemical_formula_sum            'C24 H29 Cl2 Mn N5'
_chemical_formula_weight         513.36
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 99.618(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.337(3)
_cell_length_b                   14.843(2)
_cell_length_c                   17.351(3)
_cell_measurement_reflns_used    4366
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.01
_cell_measurement_theta_min      2.21
_cell_volume                     4910.1(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0788
_diffrn_reflns_av_sigmaI/netI    0.0906
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            34315
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.07
_exptl_absorpt_coefficient_mu    0.777
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.747
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
absorption correction based on 4366 reflections (SADABS); Rint 0.053 before
correction and 0.047 after.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2136
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.973
_refine_diff_density_min         -0.770
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       0.0032(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     584
_refine_ls_number_reflns         8554
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.1256
_refine_ls_R_factor_gt           0.1020
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1129P)²+35.5527P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2577
_refine_ls_wR_factor_ref         0.2695
_reflns_number_gt                6288
_reflns_number_total             8554
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b505763a.txt
_cod_data_source_block           2136
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4910.0(13)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7008674
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'
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 0.47692(6) 0.22159(8) 0.06201(7) 0.0211(3) Uani 1 1 d . . .
Cl1 Cl 0.53122(11) 0.26032(15) 0.19244(12) 0.0334(5) Uani 1 1 d . . .
Cl2 Cl 0.55980(10) 0.10884(13) 0.02542(12) 0.0277(5) Uani 1 1 d . . .
N1 N 0.5196(3) 0.3309(4) -0.0088(4) 0.0250(15) Uani 1 1 d . . .
N2 N 0.4093(3) 0.2236(4) -0.0634(4) 0.0244(15) Uani 1 1 d . . .
N3 N 0.3782(3) 0.3008(4) 0.0736(4) 0.0248(15) Uani 1 1 d . . .
N4 N 0.3971(3) 0.0976(4) 0.0613(4) 0.0232(14) Uani 1 1 d . . .
H4' H 0.4245 0.0473 0.0556 0.028 Uiso 1 1 calc R . .
C1 C 0.5629(4) 0.3975(5) 0.0210(5) 0.0298(19) Uani 1 1 d . . .
H1 H 0.5754 0.4019 0.0762 0.036 Uiso 1 1 calc R . .
C2 C 0.5900(5) 0.4598(6) -0.0246(6) 0.039(2) Uani 1 1 d . . .
H2 H 0.6219 0.5047 -0.0014 0.047 Uiso 1 1 calc R . .
C3 C 0.5701(5) 0.4557(6) -0.1040(6) 0.044(2) Uani 1 1 d . . .
H3 H 0.5863 0.4992 -0.1370 0.053 Uiso 1 1 calc R . .
C4 C 0.5267(5) 0.3881(6) -0.1345(5) 0.037(2) Uani 1 1 d . . .
H4 H 0.5130 0.3836 -0.1895 0.044 Uiso 1 1 calc R . .
C5 C 0.5024(4) 0.3259(5) -0.0862(5) 0.0242(17) Uani 1 1 d . . .
C6 C 0.4569(5) 0.2480(6) -0.1185(5) 0.0297(19) Uani 1 1 d . . .
H6A H 0.4291 0.2647 -0.1697 0.036 Uiso 1 1 calc R . .
H6B H 0.4867 0.1956 -0.1265 0.036 Uiso 1 1 calc R . .
C7 C 0.3528(5) 0.2908(6) -0.0684(5) 0.0301(19) Uani 1 1 d . . .
H7A H 0.3114 0.2681 -0.1045 0.036 Uiso 1 1 calc R . .
H7B H 0.3684 0.3470 -0.0910 0.036 Uiso 1 1 calc R . .
C8 C 0.3312(5) 0.3125(5) 0.0091(5) 0.0290(19) Uani 1 1 d . . .
C9 C 0.2652(5) 0.3479(6) 0.0112(6) 0.038(2) Uani 1 1 d . . .
H9 H 0.2323 0.3549 -0.0355 0.046 Uiso 1 1 calc R . .
C10 C 0.2480(6) 0.3727(7) 0.0822(7) 0.049(3) Uani 1 1 d . . .
H10 H 0.2030 0.3970 0.0849 0.059 Uiso 1 1 calc R . .
C11 C 0.2969(5) 0.3619(6) 0.1495(6) 0.044(3) Uani 1 1 d . . .
H11 H 0.2867 0.3797 0.1990 0.053 Uiso 1 1 calc R . .
C12 C 0.3609(5) 0.3244(6) 0.1424(5) 0.036(2) Uani 1 1 d . . .
H12 H 0.3942 0.3150 0.1886 0.043 Uiso 1 1 calc R . .
C13 C 0.3816(4) 0.1309(5) -0.0781(5) 0.0264(18) Uani 1 1 d . . .
H13A H 0.4206 0.0894 -0.0833 0.032 Uiso 1 1 calc R . .
H13B H 0.3479 0.1296 -0.1278 0.032 Uiso 1 1 calc R . .
C14 C 0.3455(4) 0.0994(6) -0.0120(5) 0.0278(18) Uani 1 1 d . . .
H14A H 0.3065 0.1409 -0.0063 0.033 Uiso 1 1 calc R . .
H14B H 0.3257 0.0385 -0.0236 0.033 Uiso 1 1 calc R . .
C15 C 0.3673(4) 0.0780(5) 0.1303(4) 0.0205(16) Uani 1 1 d . . .
C16 C 0.4054(4) 0.0231(5) 0.1888(4) 0.0242(17) Uani 1 1 d . . .
C17 C 0.3743(4) -0.0010(6) 0.2531(5) 0.0293(19) Uani 1 1 d . . .
H17 H 0.3991 -0.0392 0.2922 0.035 Uiso 1 1 calc R . .
C18 C 0.3072(5) 0.0301(6) 0.2614(5) 0.0297(19) Uani 1 1 d . . .
C19 C 0.2732(5) 0.0881(6) 0.2057(5) 0.033(2) Uani 1 1 d . . .
H19 H 0.2290 0.1125 0.2121 0.039 Uiso 1 1 calc R . .
C20 C 0.3022(4) 0.1120(6) 0.1399(5) 0.0296(19) Uani 1 1 d . . .
H20 H 0.2775 0.1514 0.1018 0.035 Uiso 1 1 calc R . .
C21 C 0.4754(5) -0.0127(6) 0.1822(5) 0.034(2) Uani 1 1 d . . .
H21A H 0.4943 -0.0461 0.2299 0.051 Uiso 1 1 calc R . .
H21B H 0.5070 0.0373 0.1754 0.051 Uiso 1 1 calc R . .
H21C H 0.4715 -0.0531 0.1371 0.051 Uiso 1 1 calc R . .
C22 C 0.2729(5) -0.0044(8) 0.3282(6) 0.048(3) Uani 1 1 d . . .
H22A H 0.2488 0.0453 0.3497 0.071 Uiso 1 1 calc R . .
H22B H 0.3088 -0.0295 0.3691 0.071 Uiso 1 1 calc R . .
H22C H 0.2388 -0.0515 0.3088 0.071 Uiso 1 1 calc R . .
Mn1A Mn 0.13988(6) 0.67957(8) 0.23263(7) 0.0232(3) Uani 1 1 d . . .
Cl1A Cl 0.03219(11) 0.75215(15) 0.18456(13) 0.0345(5) Uani 1 1 d . . .
Cl2A Cl 0.13450(11) 0.54206(14) 0.14580(12) 0.0316(5) Uani 1 1 d . . .
N1A N 0.2114(4) 0.7593(5) 0.1684(4) 0.0271(15) Uani 1 1 d . . .
N2A N 0.2559(4) 0.6467(5) 0.2878(4) 0.0263(15) Uani 1 1 d . . .
N3A N 0.1662(4) 0.7734(5) 0.3379(4) 0.0266(15) Uani 1 1 d . . .
N4A N 0.1282(3) 0.5691(5) 0.3293(4) 0.0251(15) Uani 1 1 d . . .
H4A' H 0.1175 0.5159 0.3016 0.030 Uiso 1 1 calc R . .
C1A C 0.1924(5) 0.8358(6) 0.1277(5) 0.0299(19) Uani 1 1 d . . .
H1A H 0.1454 0.8561 0.1237 0.036 Uiso 1 1 calc R . .
C2A C 0.2385(5) 0.8860(6) 0.0918(5) 0.034(2) Uani 1 1 d . . .
H2A H 0.2238 0.9397 0.0642 0.041 Uiso 1 1 calc R . .
C3A C 0.3066(5) 0.8552(6) 0.0974(5) 0.033(2) Uani 1 1 d . . .
H3A H 0.3392 0.8865 0.0720 0.040 Uiso 1 1 calc R . .
C4A C 0.3266(5) 0.7791(6) 0.1400(5) 0.0293(19) Uani 1 1 d . . .
H4A H 0.3737 0.7586 0.1461 0.035 Uiso 1 1 calc R . .
C5A C 0.2779(4) 0.7327(6) 0.1739(5) 0.0286(19) Uani 1 1 d . . .
C6A C 0.2953(4) 0.6473(6) 0.2216(5) 0.0269(18) Uani 1 1 d . . .
H6A1 H 0.2824 0.5938 0.1881 0.032 Uiso 1 1 calc R . .
H6A2 H 0.3463 0.6447 0.2416 0.032 Uiso 1 1 calc R . .
C7A C 0.2846(4) 0.7158(6) 0.3454(5) 0.0285(19) Uani 1 1 d . . .
H7A1 H 0.3120 0.7595 0.3197 0.034 Uiso 1 1 calc R . .
H7A2 H 0.3172 0.6864 0.3880 0.034 Uiso 1 1 calc R . .
C8A C 0.2300(4) 0.7665(5) 0.3807(5) 0.0258(18) Uani 1 1 d . . .
C9A C 0.2481(5) 0.8080(6) 0.4529(5) 0.033(2) Uani 1 1 d . . .
H9A H 0.2938 0.8010 0.4825 0.039 Uiso 1 1 calc R . .
C10A C 0.1979(5) 0.8599(6) 0.4807(5) 0.038(2) Uani 1 1 d . . .
H10A H 0.2087 0.8895 0.5298 0.046 Uiso 1 1 calc R . .
C11A C 0.1323(6) 0.8679(6) 0.4361(6) 0.042(2) Uani 1 1 d . . .
H11A H 0.0960 0.9018 0.4531 0.051 Uiso 1 1 calc R . .
C12A C 0.1226(5) 0.8238(5) 0.3653(4) 0.0273(19) Uani 1 1 d . . .
H12A H 0.0783 0.8319 0.3331 0.033 Uiso 1 1 calc R . .
C13A C 0.2543(5) 0.5568(6) 0.3237(5) 0.033(2) Uani 1 1 d . . .
H13C H 0.3009 0.5429 0.3545 0.039 Uiso 1 1 calc R . .
H13D H 0.2435 0.5107 0.2822 0.039 Uiso 1 1 calc R . .
C14A C 0.1990(4) 0.5537(6) 0.3768(5) 0.0271(18) Uani 1 1 d . . .
H14C H 0.2002 0.4943 0.4029 0.033 Uiso 1 1 calc R . .
H14D H 0.2090 0.6007 0.4176 0.033 Uiso 1 1 calc R . .
C15A C 0.0712(4) 0.5822(6) 0.3732(5) 0.0282(19) Uani 1 1 d . . .
C16A C 0.0047(4) 0.5470(6) 0.3417(5) 0.0298(19) Uani 1 1 d . . .
C17A C -0.0501(5) 0.5626(6) 0.3836(5) 0.036(2) Uani 1 1 d . . .
H17A H -0.0952 0.5393 0.3633 0.043 Uiso 1 1 calc R . .
C18A C -0.0415(5) 0.6106(6) 0.4537(6) 0.036(2) Uani 1 1 d . . .
C19A C 0.0242(4) 0.6440(6) 0.4808(5) 0.0292(19) Uani 1 1 d . . .
H19A H 0.0315 0.6776 0.5281 0.035 Uiso 1 1 calc R . .
C20A C 0.0793(5) 0.6307(6) 0.4423(5) 0.032(2) Uani 1 1 d . . .
H20A H 0.1239 0.6550 0.4633 0.039 Uiso 1 1 calc R . .
C21A C -0.0084(5) 0.4931(7) 0.2665(6) 0.046(3) Uani 1 1 d . . .
H21D H 0.0266 0.4450 0.2689 0.069 Uiso 1 1 calc R . .
H21E H -0.0049 0.5329 0.2222 0.069 Uiso 1 1 calc R . .
H21F H -0.0555 0.4666 0.2598 0.069 Uiso 1 1 calc R . .
C22A C -0.1032(6) 0.6244(7) 0.4971(6) 0.046(3) Uani 1 1 d . . .
H22D H -0.1323 0.6743 0.4732 0.069 Uiso 1 1 calc R . .
H22E H -0.0855 0.6384 0.5520 0.069 Uiso 1 1 calc R . .
H22F H -0.1314 0.5692 0.4939 0.069 Uiso 1 1 calc R . .
N5 N 0.7960(6) 0.8349(7) 0.1757(7) 0.065(3) Uani 1 1 d . . .
C23 C 0.8371(6) 0.8099(7) 0.2251(7) 0.045(2) Uani 1 1 d . . .
C24 C 0.8893(6) 0.7759(8) 0.2880(8) 0.063(3) Uani 1 1 d . . .
H24A H 0.8664 0.7578 0.3319 0.095 Uiso 1 1 calc R . .
H24B H 0.9238 0.8232 0.3051 0.095 Uiso 1 1 calc R . .
H24C H 0.9129 0.7238 0.2695 0.095 Uiso 1 1 calc R . .
N6 N 0.8737(6) 0.6154(8) 0.1290(7) 0.074(3) Uani 1 1 d . . .
C25 C 0.9111(6) 0.6136(8) 0.0841(9) 0.063(4) Uani 1 1 d . . .
C26 C 0.9615(7) 0.6137(8) 0.0314(8) 0.067(4) Uani 1 1 d . . .
H26A H 0.9638 0.6740 0.0089 0.100 Uiso 1 1 calc R . .
H26B H 0.9471 0.5701 -0.0106 0.100 Uiso 1 1 calc R . .
H26C H 1.0077 0.5971 0.0601 0.100 Uiso 1 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'
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
_geom_angle_publ_flag
N1 Mn1 N3 93.7(2) . . ?
N1 Mn1 N2 71.7(2) . . ?
N3 Mn1 N2 74.4(2) . . ?
N1 Mn1 Cl1 101.38(18) . . ?
N3 Mn1 Cl1 91.95(18) . . ?
N2 Mn1 Cl1 163.86(17) . . ?
N1 Mn1 N4 146.7(2) . . ?
N3 Mn1 N4 81.3(2) . . ?
N2 Mn1 N4 75.3(2) . . ?
Cl1 Mn1 N4 111.61(16) . . ?
N1 Mn1 Cl2 92.01(17) . . ?
N3 Mn1 Cl2 163.80(18) . . ?
N2 Mn1 Cl2 93.15(17) . . ?
Cl1 Mn1 Cl2 101.77(8) . . ?
N4 Mn1 Cl2 85.62(17) . . ?
C5 N1 C1 117.7(7) . . ?
C5 N1 Mn1 117.0(5) . . ?
C1 N1 Mn1 125.3(6) . . ?
C7 N2 C6 109.4(6) . . ?
C7 N2 C13 112.0(6) . . ?
C6 N2 C13 111.2(6) . . ?
C7 N2 Mn1 110.9(5) . . ?
C6 N2 Mn1 107.1(5) . . ?
C13 N2 Mn1 106.1(4) . . ?
C8 N3 C12 118.5(7) . . ?
C8 N3 Mn1 117.3(5) . . ?
C12 N3 Mn1 123.5(6) . . ?
C15 N4 C14 114.3(6) . . ?
C15 N4 Mn1 119.7(4) . . ?
C14 N4 Mn1 109.4(5) . . ?
N1 C1 C2 123.1(8) . . ?
C3 C2 C1 118.6(9) . . ?
C4 C3 C2 118.4(9) . . ?
C3 C4 C5 120.6(9) . . ?
N1 C5 C4 121.5(8) . . ?
N1 C5 C6 116.8(7) . . ?
C4 C5 C6 121.7(8) . . ?
N2 C6 C5 109.6(6) . . ?
N2 C7 C8 114.0(7) . . ?
N3 C8 C9 122.0(8) . . ?
N3 C8 C7 118.0(7) . . ?
C9 C8 C7 119.9(8) . . ?
C10 C9 C8 119.0(9) . . ?
C9 C10 C11 119.4(9) . . ?
C12 C11 C10 117.9(9) . . ?
N3 C12 C11 123.1(9) . . ?
N2 C13 C14 110.8(6) . . ?
N4 C14 C13 109.0(7) . . ?
C20 C15 C16 119.8(7) . . ?
C20 C15 N4 121.4(7) . . ?
C16 C15 N4 118.8(7) . . ?
C17 C16 C15 118.6(7) . . ?
C17 C16 C21 119.4(7) . . ?
C15 C16 C21 121.9(7) . . ?
C16 C17 C18 121.6(8) . . ?
C19 C18 C17 118.4(8) . . ?
C19 C18 C22 121.8(8) . . ?
C17 C18 C22 119.8(8) . . ?
C18 C19 C20 121.3(8) . . ?
C15 C20 C19 120.0(8) . . ?
N1A Mn1A N3A 90.1(3) . . ?
N1A Mn1A N2A 71.7(2) . . ?
N3A Mn1A N2A 74.3(2) . . ?
N1A Mn1A Cl1A 99.40(18) . . ?
N3A Mn1A Cl1A 93.98(18) . . ?
N2A Mn1A Cl1A 164.94(19) . . ?
N1A Mn1A N4A 148.0(2) . . ?
N3A Mn1A N4A 83.8(2) . . ?
N2A Mn1A N4A 76.4(2) . . ?
Cl1A Mn1A N4A 112.32(17) . . ?
N1A Mn1A Cl2A 95.54(19) . . ?
N3A Mn1A Cl2A 161.72(19) . . ?
N2A Mn1A Cl2A 90.95(18) . . ?
Cl1A Mn1A Cl2A 102.18(9) . . ?
N4A Mn1A Cl2A 82.23(17) . . ?
C5A N1A C1A 117.4(7) . . ?
C5A N1A Mn1A 118.2(6) . . ?
C1A N1A Mn1A 124.2(6) . . ?
C7A N2A C13A 112.1(7) . . ?
C7A N2A C6A 109.8(6) . . ?
C13A N2A C6A 112.5(6) . . ?
C7A N2A Mn1A 111.0(5) . . ?
C13A N2A Mn1A 106.0(5) . . ?
C6A N2A Mn1A 105.2(5) . . ?
C12A N3A C8A 116.4(7) . . ?
C12A N3A Mn1A 125.6(6) . . ?
C8A N3A Mn1A 117.4(5) . . ?
C15A N4A C14A 115.9(6) . . ?
C15A N4A Mn1A 116.5(5) . . ?
C14A N4A Mn1A 108.0(5) . . ?
N1A C1A C2A 123.0(8) . . ?
C3A C2A C1A 117.9(8) . . ?
C4A C3A C2A 119.4(8) . . ?
C3A C4A C5A 119.5(8) . . ?
N1A C5A C4A 122.8(8) . . ?
N1A C5A C6A 114.1(7) . . ?
C4A C5A C6A 123.1(8) . . ?
N2A C6A C5A 109.4(6) . . ?
N2A C7A C8A 114.4(7) . . ?
N3A C8A C9A 122.7(8) . . ?
N3A C8A C7A 117.3(7) . . ?
C9A C8A C7A 120.0(7) . . ?
C8A C9A C10A 118.3(9) . . ?
C11A C10A C9A 119.0(8) . . ?
C12A C11A C10A 115.9(9) . . ?
N3A C12A C11A 127.7(9) . . ?
N2A C13A C14A 110.4(7) . . ?
N4A C14A C13A 109.4(7) . . ?
C20A C15A C16A 119.4(8) . . ?
C20A C15A N4A 122.5(7) . . ?
C16A C15A N4A 118.0(7) . . ?
C17A C16A C15A 117.3(8) . . ?
C17A C16A C21A 120.0(8) . . ?
C15A C16A C21A 122.7(8) . . ?
C18A C17A C16A 123.1(8) . . ?
C19A C18A C17A 116.8(8) . . ?
C19A C18A C22A 122.5(9) . . ?
C17A C18A C22A 120.6(9) . . ?
C20A C19A C18A 122.3(8) . . ?
C19A C20A C15A 121.0(8) . . ?
N5 C23 C24 178.8(13) . . ?
N6 C25 C26 176.4(14) . . ?
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 N1 2.272(7) . ?
Mn1 N3 2.279(7) . ?
Mn1 N2 2.344(7) . ?
Mn1 Cl1 2.400(2) . ?
Mn1 N4 2.400(6) . ?
Mn1 Cl2 2.472(2) . ?
N1 C5 1.332(10) . ?
N1 C1 1.341(10) . ?
N2 C7 1.472(10) . ?
N2 C6 1.478(10) . ?
N2 C13 1.484(10) . ?
N3 C8 1.331(11) . ?
N3 C12 1.340(11) . ?
N4 C15 1.442(9) . ?
N4 C14 1.480(10) . ?
C1 C2 1.377(13) . ?
C2 C3 1.369(14) . ?
C3 C4 1.357(13) . ?
C4 C5 1.380(12) . ?
C5 C6 1.505(11) . ?
C7 C8 1.508(12) . ?
C8 C9 1.386(12) . ?
C9 C10 1.378(14) . ?
C10 C11 1.383(15) . ?
C11 C12 1.381(13) . ?
C13 C14 1.512(11) . ?
C15 C20 1.392(11) . ?
C15 C16 1.410(11) . ?
C16 C17 1.400(11) . ?
C16 C21 1.477(12) . ?
C17 C18 1.405(12) . ?
C18 C19 1.378(12) . ?
C18 C22 1.518(12) . ?
C19 C20 1.400(12) . ?
Mn1A N1A 2.252(7) . ?
Mn1A N3A 2.285(7) . ?
Mn1A N2A 2.340(7) . ?
Mn1A Cl1A 2.369(2) . ?
Mn1A N4A 2.383(7) . ?
Mn1A Cl2A 2.529(2) . ?
N1A C5A 1.333(11) . ?
N1A C1A 1.355(11) . ?
N2A C7A 1.474(10) . ?
N2A C13A 1.474(11) . ?
N2A C6A 1.481(10) . ?
N3A C12A 1.277(11) . ?
N3A C8A 1.333(10) . ?
N4A C15A 1.454(10) . ?
N4A C14A 1.492(10) . ?
C1A C2A 1.386(12) . ?
C2A C3A 1.381(13) . ?
C3A C4A 1.369(12) . ?
C4A C5A 1.375(12) . ?
C5A C6A 1.520(11) . ?
C7A C8A 1.506(12) . ?
C8A C9A 1.388(12) . ?
C9A C10A 1.388(13) . ?
C10A C11A 1.377(14) . ?
C11A C12A 1.376(12) . ?
C13A C14A 1.525(11) . ?
C15A C20A 1.385(12) . ?
C15A C16A 1.410(12) . ?
C16A C17A 1.400(12) . ?
C16A C21A 1.516(13) . ?
C17A C18A 1.396(13) . ?
C18A C19A 1.372(13) . ?
C18A C22A 1.526(13) . ?
C19A C20A 1.363(12) . ?
N5 C23 1.129(14) . ?
C23 C24 1.447(16) . ?
N6 C25 1.148(17) . ?
C25 C26 1.444(19) . ?
