#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:36:29 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179588 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/53/4505356.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_4505356
loop_
_publ_author_name
'van der Werff, Patricia M.'
'Batten, Stuart R.'
'Jensen, Paul'
'Moubaraki, Boujemaa'
'Murray, Keith S.'
'Cashion, John D.'
_publ_contact_author
;
    Dr. S.R. Batten
    School of Chemistry
    Monash University 3800
    AUSTRALIA
;
_publ_section_title
;
 Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3]
 (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              503
_journal_paper_doi               10.1021/cg034258n
_journal_volume                  4
_journal_year                    2004
_chemical_formula_sum            'C26 H20 Mn N9 P'
_chemical_formula_weight         544.42
_chemical_name_systematic
; 
 Ethyltriphenylphosphonium tris(dicyanamido)mangenate(II)
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.3759(1)
_cell_length_b                   16.9055(1)
_cell_length_c                   21.6345(2)
_cell_measurement_temperature    123(2)
_cell_volume                     5257.87(7)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      123(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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  0.0397
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            63658
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         3.40
_exptl_absorpt_coefficient_mu    0.596
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2232
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.311
_refine_diff_density_min         -0.264
_refine_diff_density_rms         0.045
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.008(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     669
_refine_ls_number_reflns         12619
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0320P)²+0.6099P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0639
_refine_ls_wR_factor_ref         0.0673
_reflns_number_gt                11055
_reflns_number_total             12619
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg034258nsi20031223_013219.cif
_cod_data_source_block           EtMn
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               4505356
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -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
Mn1 Mn -0.134364(18) 0.266983(15) 0.929762(12) 0.02028(6) Uani 1 1 d .
Mn2 Mn 0.029260(18) 0.268131(15) 0.597130(12) 0.02134(6) Uani 1 1 d .
N11 N -0.17540(11) 0.24525(10) 0.83291(8) 0.0339(4) Uani 1 1 d .
C11 C -0.19262(13) 0.24739(12) 0.78137(9) 0.0315(4) Uani 1 1 d .
N12 N -0.11043(12) 0.25275(10) 0.63893(8) 0.0371(4) Uani 1 1 d .
C12 C -0.15899(13) 0.25229(11) 0.68033(9) 0.0302(4) Uani 1 1 d .
N13 N -0.22175(13) 0.25231(16) 0.72431(8) 0.0605(6) Uani 1 1 d .
N21 N 0.00937(11) 0.28571(9) 0.89030(8) 0.0290(4) Uani 1 1 d .
C21 C 0.05678(12) 0.29346(10) 0.84729(9) 0.0225(4) Uani 1 1 d .
N22 N 0.08225(12) 0.28250(9) 0.69329(8) 0.0329(4) Uani 1 1 d .
C22 C 0.09436(13) 0.29050(10) 0.74561(9) 0.0252(4) Uani 1 1 d .
N23 N 0.11792(11) 0.30235(10) 0.80356(8) 0.0323(4) Uani 1 1 d .
N31 N -0.08818(12) 0.28122(11) 1.02794(8) 0.0363(4) Uani 1 1 d .
C31 C -0.01737(14) 0.28141(10) 1.05249(8) 0.0265(4) Uani 1 1 d .
N32 N 0.21323(10) 0.24893(8) 1.05106(7) 0.0276(4) Uani 1 1 d .
C32 C 0.13827(13) 0.26413(12) 1.06499(9) 0.0302(4) Uani 1 1 d .
N33 N 0.05678(13) 0.28472(15) 1.08638(9) 0.0612(7) Uani 1 1 d .
N41 N -0.15728(12) 0.39457(9) 0.92332(9) 0.0363(4) Uani 1 1 d .
C41 C -0.16389(13) 0.46166(11) 0.91466(9) 0.0302(4) Uani 1 1 d .
N42 N -0.06653(13) 0.64142(10) 0.89921(9) 0.0407(4) Uani 1 1 d .
C42 C -0.11717(14) 0.58903(11) 0.90223(10) 0.0331(5) Uani 1 1 d .
N43 N -0.18275(12) 0.53544(9) 0.90398(11) 0.0460(5) Uani 1 1 d .
N51 N 0.16888(12) 0.28722(10) 0.55574(8) 0.0344(4) Uani 1 1 d .
C51 C 0.24724(14) 0.29819(11) 0.55070(10) 0.0332(5) Uani 1 1 d .
N52 N 0.45769(11) 0.25093(10) 0.49248(8) 0.0328(4) Uani 1 1 d .
C52 C 0.39621(13) 0.27885(11) 0.51765(9) 0.0284(4) Uani 1 1 d .
N53 N 0.33529(14) 0.31750(13) 0.55019(12) 0.0634(7) Uani 1 1 d .
N61 N 0.00770(12) 0.39773(9) 0.58447(8) 0.0341(4) Uani 1 1 d .
C61 C 0.03758(13) 0.45097(10) 0.55701(8) 0.0262(4) Uani 1 1 d .
N62 N 0.10781(11) 0.64049(9) 0.55539(8) 0.0313(4) Uani 1 1 d .
C62 C 0.08913(13) 0.57662(11) 0.54199(9) 0.0251(4) Uani 1 1 d .
N63 N 0.06952(12) 0.50589(9) 0.52043(7) 0.0303(4) Uani 1 1 d .
P1 P 0.13029(3) 0.46826(3) 0.31424(2) 0.02266(10) Uani 1 1 d .
C111 C 0.02456(13) 0.52482(10) 0.31703(8) 0.0238(4) Uani 1 1 d .
C112 C -0.01408(13) 0.55426(10) 0.26293(8) 0.0253(4) Uani 1 1 d .
H112 H 0.0172 0.5470 0.2247 0.030 Uiso 1 1 calc R
C113 C -0.09803(14) 0.59411(11) 0.26456(10) 0.0307(4) Uani 1 1 d .
H113 H -0.1238 0.6149 0.2275 0.037 Uiso 1 1 calc R
C114 C -0.14456(14) 0.60380(12) 0.31988(10) 0.0350(5) Uani 1 1 d .
H114 H -0.2025 0.6309 0.3208 0.042 Uiso 1 1 calc R
C115 C -0.10688(14) 0.57414(12) 0.37379(10) 0.0365(5) Uani 1 1 d .
H115 H -0.1392 0.5809 0.4117 0.044 Uiso 1 1 calc R
C116 C -0.02210(14) 0.53451(12) 0.37315(9) 0.0324(4) Uani 1 1 d .
H116 H 0.0037 0.5143 0.4104 0.039 Uiso 1 1 calc R
C121 C 0.17879(12) 0.48135(10) 0.23866(8) 0.0229(4) Uani 1 1 d .
C122 C 0.22715(13) 0.55139(11) 0.22659(9) 0.0286(4) Uani 1 1 d .
H122 H 0.2397 0.5876 0.2591 0.034 Uiso 1 1 calc R
C123 C 0.25657(14) 0.56772(12) 0.16732(9) 0.0331(4) Uani 1 1 d .
H123 H 0.2892 0.6154 0.1591 0.040 Uiso 1 1 calc R
C124 C 0.23890(14) 0.51529(11) 0.11987(9) 0.0324(4) Uani 1 1 d .
H124 H 0.2585 0.5272 0.0790 0.039 Uiso 1 1 calc R
C125 C 0.19275(16) 0.44559(12) 0.13195(9) 0.0388(5) Uani 1 1 d .
H125 H 0.1819 0.4091 0.0993 0.047 Uiso 1 1 calc R
C126 C 0.16202(15) 0.42807(11) 0.19102(9) 0.0344(5) Uani 1 1 d .
H126 H 0.1298 0.3801 0.1989 0.041 Uiso 1 1 calc R
C131 C 0.21211(13) 0.50298(11) 0.37027(8) 0.0263(4) Uani 1 1 d .
C132 C 0.20547(14) 0.57807(11) 0.39624(9) 0.0291(4) Uani 1 1 d .
H132 H 0.1540 0.6111 0.3865 0.035 Uiso 1 1 calc R
C133 C 0.27378(15) 0.60475(13) 0.43628(10) 0.0385(5) Uani 1 1 d .
H133 H 0.2688 0.6558 0.4543 0.046 Uiso 1 1 calc R
C134 C 0.34900(16) 0.55720(15) 0.45008(10) 0.0440(6) Uani 1 1 d .
H134 H 0.3963 0.5762 0.4769 0.053 Uiso 1 1 calc R
C135 C 0.35605(15) 0.48191(14) 0.42502(11) 0.0459(6) Uani 1 1 d .
H135 H 0.4075 0.4491 0.4351 0.055 Uiso 1 1 calc R
C136 C 0.28779(15) 0.45481(13) 0.38529(10) 0.0372(5) Uani 1 1 d .
H136 H 0.2924 0.4032 0.3681 0.045 Uiso 1 1 calc R
C140 C 0.10411(15) 0.36551(11) 0.32707(10) 0.0329(5) Uani 1 1 d .
H14A H 0.0547 0.3492 0.2979 0.039 Uiso 1 1 calc R
H14B H 0.1602 0.3338 0.3176 0.039 Uiso 1 1 calc R
C141 C 0.07226(18) 0.34631(13) 0.39306(11) 0.0472(6) Uani 1 1 d .
H14C H 0.1181 0.3666 0.4226 0.071 Uiso 1 1 calc R
H14D H 0.0665 0.2889 0.3979 0.071 Uiso 1 1 calc R
H14E H 0.0118 0.3712 0.4008 0.071 Uiso 1 1 calc R
P2 P 0.23016(3) 0.08243(3) 0.84173(2) 0.02164(10) Uani 1 1 d .
C211 C 0.29821(13) 0.00140(10) 0.87110(8) 0.0239(4) Uani 1 1 d .
C212 C 0.39276(14) 0.01123(12) 0.88135(9) 0.0321(4) Uani 1 1 d .
H212 H 0.4233 0.0579 0.8678 0.038 Uiso 1 1 calc R
C213 C 0.44264(16) -0.04790(13) 0.91174(10) 0.0427(5) Uani 1 1 d .
H213 H 0.5076 -0.0421 0.9183 0.051 Uiso 1 1 calc R
C214 C 0.39745(17) -0.11463(13) 0.93213(11) 0.0450(6) Uani 1 1 d .
H214 H 0.4314 -0.1542 0.9537 0.054 Uiso 1 1 calc R
C215 C 0.30366(17) -0.12501(12) 0.92175(10) 0.0411(5) Uani 1 1 d .
H215 H 0.2738 -0.1720 0.9353 0.049 Uiso 1 1 calc R
C216 C 0.25296(15) -0.06717(11) 0.89163(9) 0.0316(4) Uani 1 1 d .
H216 H 0.1881 -0.0738 0.8849 0.038 Uiso 1 1 calc R
C221 C 0.29516(12) 0.14217(10) 0.78790(9) 0.0253(4) Uani 1 1 d .
C222 C 0.28452(15) 0.13149(13) 0.72486(10) 0.0368(5) Uani 1 1 d .
H222 H 0.2453 0.0906 0.7098 0.044 Uiso 1 1 calc R
C223 C 0.33097(16) 0.18038(14) 0.68368(11) 0.0441(5) Uani 1 1 d .
H223 H 0.3237 0.1730 0.6404 0.053 Uiso 1 1 calc R
C224 C 0.38821(15) 0.24018(13) 0.70579(11) 0.0405(5) Uani 1 1 d .
H224 H 0.4192 0.2743 0.6777 0.049 Uiso 1 1 calc R
C225 C 0.39993(16) 0.24994(13) 0.76822(11) 0.0442(6) Uani 1 1 d .
H225 H 0.4403 0.2902 0.7831 0.053 Uiso 1 1 calc R
C226 C 0.35353(15) 0.20168(12) 0.80986(11) 0.0387(5) Uani 1 1 d .
H226 H 0.3615 0.2091 0.8531 0.046 Uiso 1 1 calc R
C231 C 0.12812(12) 0.04480(10) 0.80398(8) 0.0225(4) Uani 1 1 d .
C232 C 0.13596(14) -0.02060(10) 0.76497(9) 0.0278(4) Uani 1 1 d .
H232 H 0.1939 -0.0471 0.7609 0.033 Uiso 1 1 calc R
C233 C 0.05936(14) -0.04655(12) 0.73242(9) 0.0323(5) Uani 1 1 d .
H233 H 0.0648 -0.0905 0.7053 0.039 Uiso 1 1 calc R
C234 C -0.02497(14) -0.00899(11) 0.73912(10) 0.0343(5) Uani 1 1 d .
H234 H -0.0775 -0.0273 0.7167 0.041 Uiso 1 1 calc R
C235 C -0.03383(14) 0.05554(11) 0.77843(10) 0.0334(5) Uani 1 1 d .
H235 H -0.0925 0.0807 0.7832 0.040 Uiso 1 1 calc R
C236 C 0.04252(13) 0.08307(11) 0.81060(9) 0.0281(4) Uani 1 1 d .
H236 H 0.0369 0.1277 0.8370 0.034 Uiso 1 1 calc R
C240 C 0.19896(13) 0.14184(10) 0.90754(9) 0.0271(4) Uani 1 1 d .
H24A H 0.2560 0.1652 0.9256 0.033 Uiso 1 1 calc R
H24B H 0.1584 0.1858 0.8938 0.033 Uiso 1 1 calc R
C241 C 0.14838(15) 0.09386(12) 0.95716(10) 0.0350(5) Uani 1 1 d .
H24C H 0.1007 0.0607 0.9377 0.053 Uiso 1 1 calc R
H24D H 0.1188 0.1299 0.9867 0.053 Uiso 1 1 calc R
H24E H 0.1931 0.0602 0.9789 0.053 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'
P P 0.1023 0.0942 '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
N41 Mn1 N62 175.03(7) . 4_546
N41 Mn1 N11 93.64(7) . .
N62 Mn1 N11 91.33(6) 4_546 .
N41 Mn1 N31 89.95(7) . .
N62 Mn1 N31 85.08(6) 4_546 .
N11 Mn1 N31 176.23(6) . .
N41 Mn1 N32 89.02(6) . 3_457
N62 Mn1 N32 91.49(6) 4_546 3_457
N11 Mn1 N32 83.96(6) . 3_457
N31 Mn1 N32 97.30(6) . 3_457
N41 Mn1 N21 88.59(6) . .
N62 Mn1 N21 91.88(6) 4_546 .
N11 Mn1 N21 84.78(6) . .
N31 Mn1 N21 94.15(6) . .
N32 Mn1 N21 168.31(6) 3_457 .
N42 Mn2 N12 95.24(7) 4_546 .
N42 Mn2 N52 90.17(7) 4_546 3_456
N12 Mn2 N52 85.37(6) . 3_456
N42 Mn2 N51 86.34(7) 4_546 .
N12 Mn2 N51 178.37(6) . .
N52 Mn2 N51 95.05(6) 3_456 .
N42 Mn2 N22 89.39(7) 4_546 .
N12 Mn2 N22 86.66(6) . .
N52 Mn2 N22 171.94(6) 3_456 .
N51 Mn2 N22 92.95(6) . .
N42 Mn2 N61 172.21(7) 4_546 .
N12 Mn2 N61 92.26(6) . .
N52 Mn2 N61 88.33(6) 3_456 .
N51 Mn2 N61 86.18(6) . .
N22 Mn2 N61 93.16(6) . .
C11 N11 Mn1 168.17(16) . .
N11 C11 N13 173.5(2) . .
C12 N12 Mn2 151.53(16) . .
N12 C12 N13 174.4(2) . .
C11 N13 C12 117.72(18) . .
C21 N21 Mn1 148.89(14) . .
N21 C21 N23 173.37(19) . .
C22 N22 Mn2 168.70(16) . .
N22 C22 N23 173.4(2) . .
C21 N23 C22 120.16(17) . .
C31 N31 Mn1 134.61(15) . .
N31 C31 N33 172.7(2) . .
C32 N32 Mn1 153.37(15) . 3_557
N32 C32 N33 173.7(2) . .
C31 N33 C32 121.73(18) . .
C41 N41 Mn1 173.11(17) . .
N41 C41 N43 172.6(2) . .
C42 N42 Mn2 154.08(17) . 4_556
N42 C42 N43 173.1(2) . .
C41 N43 C42 121.36(18) . .
C51 N51 Mn2 161.69(17) . .
N51 C51 N53 172.9(2) . .
C52 N52 Mn2 146.81(16) . 3_556
N52 C52 N53 171.4(2) . .
C52 N53 C51 122.10(19) . .
C61 N61 Mn2 140.66(15) . .
N61 C61 N63 173.36(19) . .
C62 N62 Mn1 172.76(16) . 4_556
N62 C62 N63 173.8(2) . .
C61 N63 C62 120.54(17) . .
C131 P1 C121 108.80(8) . .
C131 P1 C111 111.04(8) . .
C121 P1 C111 107.11(8) . .
C131 P1 C140 110.49(9) . .
C121 P1 C140 109.97(9) . .
C111 P1 C140 109.38(9) . .
C112 C111 C116 119.92(17) . .
C112 C111 P1 120.07(14) . .
C116 C111 P1 119.86(14) . .
C113 C112 C111 120.17(17) . .
C114 C113 C112 120.18(19) . .
C115 C114 C113 119.94(18) . .
C114 C115 C116 120.70(19) . .
C115 C116 C111 119.07(18) . .
C126 C121 C122 119.79(17) . .
C126 C121 P1 121.96(14) . .
C122 C121 P1 117.95(14) . .
C123 C122 C121 119.75(18) . .
C122 C123 C124 120.46(18) . .
C125 C124 C123 119.82(18) . .
C124 C125 C126 120.79(18) . .
C125 C126 C121 119.38(18) . .
C132 C131 C136 119.42(18) . .
C132 C131 P1 121.87(15) . .
C136 C131 P1 118.59(15) . .
C133 C132 C131 120.06(19) . .
C134 C133 C132 120.1(2) . .
C133 C134 C135 120.5(2) . .
C136 C135 C134 119.7(2) . .
C135 C136 C131 120.3(2) . .
C141 C140 P1 114.22(15) . .
C231 P2 C240 110.73(9) . .
C231 P2 C211 109.58(8) . .
C240 P2 C211 106.32(9) . .
C231 P2 C221 109.16(8) . .
C240 P2 C221 109.13(9) . .
C211 P2 C221 111.90(8) . .
C212 C211 C216 120.21(17) . .
C212 C211 P2 119.87(14) . .
C216 C211 P2 119.30(14) . .
C211 C212 C213 119.6(2) . .
C214 C213 C212 119.8(2) . .
C213 C214 C215 121.0(2) . .
C214 C215 C216 120.2(2) . .
C215 C216 C211 119.3(2) . .
C222 C221 C226 119.78(19) . .
C222 C221 P2 120.41(14) . .
C226 C221 P2 119.76(15) . .
C221 C222 C223 120.1(2) . .
C222 C223 C224 119.9(2) . .
C225 C224 C223 120.0(2) . .
C224 C225 C226 120.7(2) . .
C225 C226 C221 119.5(2) . .
C232 C231 C236 119.99(17) . .
C232 C231 P2 119.32(14) . .
C236 C231 P2 120.58(13) . .
C233 C232 C231 119.77(18) . .
C234 C233 C232 120.19(18) . .
C233 C234 C235 120.51(18) . .
C236 C235 C234 120.03(19) . .
C235 C236 C231 119.49(17) . .
C241 C240 P2 112.21(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 N41 2.1864(16) .
Mn1 N62 2.1959(16) 4_546
Mn1 N11 2.2076(17) .
Mn1 N31 2.2384(17) .
Mn1 N32 2.2461(15) 3_457
Mn1 N21 2.2580(16) .
Mn2 N42 2.2095(17) 4_546
Mn2 N12 2.2177(17) .
Mn2 N52 2.2184(16) 3_456
Mn2 N51 2.2214(17) .
Mn2 N22 2.2288(17) .
Mn2 N61 2.2296(16) .
N11 C11 1.143(2) .
C11 N13 1.306(3) .
N12 C12 1.136(2) .
C12 N13 1.311(3) .
N21 C21 1.161(2) .
C21 N23 1.300(2) .
N22 C22 1.153(2) .
C22 N23 1.314(3) .
N31 C31 1.148(2) .
C31 N33 1.295(3) .
N32 C32 1.148(2) .
N32 Mn1 2.2461(15) 3_557
C32 N33 1.307(3) .
N41 C41 1.154(2) .
C41 N43 1.297(3) .
N42 C42 1.148(3) .
N42 Mn2 2.2095(17) 4_556
C42 N43 1.308(3) .
N51 C51 1.147(3) .
C51 N53 1.307(3) .
N52 C52 1.140(2) .
N52 Mn2 2.2184(16) 3_556
C52 N53 1.300(3) .
N61 C61 1.161(2) .
C61 N63 1.304(2) .
N62 C62 1.150(2) .
N62 Mn1 2.1959(16) 4_556
C62 N63 1.314(2) .
P1 C131 1.7882(19) .
P1 C121 1.7915(18) .
P1 C111 1.7968(19) .
P1 C140 1.7988(19) .
C111 C112 1.388(3) .
C111 C116 1.397(3) .
C112 C113 1.383(3) .
C113 C114 1.381(3) .
C114 C115 1.380(3) .
C115 C116 1.391(3) .
C121 C126 1.390(3) .
C121 C122 1.398(2) .
C122 C123 1.378(3) .
C123 C124 1.380(3) .
C124 C125 1.377(3) .
C125 C126 1.384(3) .
C131 C132 1.392(3) .
C131 C136 1.397(3) .
C132 C133 1.385(3) .
C133 C134 1.380(3) .
C134 C135 1.387(3) .
C135 C136 1.383(3) .
C140 C141 1.534(3) .
P2 C231 1.7954(18) .
P2 C240 1.7993(18) .
P2 C211 1.7992(18) .
P2 C221 1.8025(19) .
C211 C212 1.387(3) .
C211 C216 1.402(3) .
C212 C213 1.395(3) .
C213 C214 1.375(3) .
C214 C215 1.378(3) .
C215 C216 1.383(3) .
C221 C222 1.384(3) .
C221 C226 1.393(3) .
C222 C223 1.387(3) .
C223 C224 1.388(3) .
C224 C225 1.371(3) .
C225 C226 1.387(3) .
C231 C232 1.395(2) .
C231 C236 1.398(3) .
C232 C233 1.379(3) .
C233 C234 1.376(3) .
C234 C235 1.389(3) .
C235 C236 1.381(3) .
C240 C241 1.529(3) .
