#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:04:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179091 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/53/4305330.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_4305330
loop_
_publ_author_name
'Meisu Zhou'
'Yanping Song'
'Tao Gong'
'Hongbo Tong'
'Jianping Guo'
'Linhong Weng'
'Diansheng Liu'
_publ_section_title
;
Synthesis and Structures of Selected Triazapentadienate of Li, Mn, Fe, Co,
Ni, Cu(I), and Cu(II) using 2,4-N,N'-Disubstituted
1,3,5-Triazapentadienate Anions as Ancillary Ligands:
[N(Ar)C(NMe2)NC(NMe2)N(R)]- (Ar = Ph, 2,6-iPr2-C6H3; R = H, SiMe3)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6692
_journal_page_last               6700
_journal_paper_doi               10.1021/ic800320e
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C30 H52 Mn N10 Si2'
_chemical_formula_weight         663.94
_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-97
_cell_angle_alpha                90.45(5)
_cell_angle_beta                 107.54(3)
_cell_angle_gamma                115.20(3)
_cell_formula_units_Z            2
_cell_length_a                   11.134(5)
_cell_length_b                   12.007(6)
_cell_length_c                   16.169(8)
_cell_measurement_temperature    213(2)
_cell_volume                     1841.5(17)
_computing_cell_refinement       SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'CCD AREA DETECTOR'
_diffrn_measurement_method       Ω
_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  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0977
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7321
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    0.458
_exptl_absorpt_correction_T_max  0.9140
_exptl_absorpt_correction_T_min  0.8749
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.197
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             710
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.367
_refine_diff_density_min         -0.587
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     402
_refine_ls_number_reflns         6197
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.161
_refine_ls_R_factor_all          0.0813
_refine_ls_R_factor_gt           0.0672
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+2.4930P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1757
_refine_ls_wR_factor_ref         0.1899
_reflns_number_gt                5150
_reflns_number_total             6197
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800320e-file001_3.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' 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        1841.5(16)
_cod_database_code               4305330
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_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
Mn Mn 0.51118(6) 0.24267(6) 0.23314(4) 0.0355(2) Uani 1 1 d . . .
N1 N 0.3768(4) 0.1701(3) 0.1029(2) 0.0362(8) Uani 1 1 d . . .
N2 N 0.3267(4) 0.0330(4) -0.0214(2) 0.0468(9) Uani 1 1 d . . .
N3 N 0.3676(4) -0.0301(3) 0.1117(2) 0.0392(8) Uani 1 1 d . . .
N4 N 0.3695(4) -0.1346(4) 0.2279(3) 0.0506(10) Uani 1 1 d . . .
N5 N 0.5279(3) 0.0786(3) 0.2539(2) 0.0359(8) Uani 1 1 d . . .
N6 N 0.6659(4) 0.4255(3) 0.2759(2) 0.0381(8) Uani 1 1 d . . .
N7 N 0.7888(4) 0.5929(3) 0.3918(3) 0.0460(9) Uani 1 1 d . . .
N8 N 0.5526(4) 0.4741(4) 0.3651(2) 0.0438(9) Uani 1 1 d . . .
N9 N 0.3194(5) 0.4128(4) 0.3398(3) 0.0562(11) Uani 1 1 d . . .
N10 N 0.3900(4) 0.2641(4) 0.3040(2) 0.0404(8) Uani 1 1 d . . .
Si1 Si 0.67020(13) 0.08867(12) 0.34081(8) 0.0428(3) Uani 1 1 d . . .
Si2 Si 0.76853(14) 0.50536(12) 0.21324(9) 0.0462(3) Uani 1 1 d . . .
C1 C 0.2851(4) 0.2217(4) 0.0652(3) 0.0376(9) Uani 1 1 d . . .
C2 C 0.1460(5) 0.1530(4) 0.0115(3) 0.0448(11) Uani 1 1 d . . .
H2 H 0.1134 0.0688 -0.0076 0.054 Uiso 1 1 calc R . .
C3 C 0.0542(5) 0.2055(5) -0.0145(3) 0.0535(12) Uani 1 1 d . . .
H3 H -0.0391 0.1565 -0.0495 0.064 Uiso 1 1 calc R . .
C4 C 0.1021(6) 0.3314(5) 0.0118(3) 0.0565(13) Uani 1 1 d . . .
H4 H 0.0416 0.3679 -0.0056 0.068 Uiso 1 1 calc R . .
C5 C 0.2409(6) 0.4022(5) 0.0644(3) 0.0537(12) Uani 1 1 d . . .
H5 H 0.2739 0.4869 0.0822 0.064 Uiso 1 1 calc R . .
C6 C 0.3309(5) 0.3479(4) 0.0907(3) 0.0455(11) Uani 1 1 d . . .
H6 H 0.4239 0.3969 0.1261 0.055 Uiso 1 1 calc R . .
C7 C 0.3603(4) 0.0607(4) 0.0677(3) 0.0389(10) Uani 1 1 d . . .
C8 C 0.3531(6) 0.1287(5) -0.0768(3) 0.0545(13) Uani 1 1 d . . .
H8A H 0.3929 0.2089 -0.0418 0.082 Uiso 1 1 calc R . .
H8B H 0.2661 0.1142 -0.1214 0.082 Uiso 1 1 calc R . .
H8C H 0.4179 0.1265 -0.1040 0.082 Uiso 1 1 calc R . .
C9 C 0.2888(6) -0.0909(5) -0.0615(3) 0.0599(14) Uani 1 1 d . . .
H9A H 0.3695 -0.0924 -0.0705 0.090 Uiso 1 1 calc R . .
H9B H 0.2146 -0.1127 -0.1170 0.090 Uiso 1 1 calc R . .
H9C H 0.2571 -0.1496 -0.0237 0.090 Uiso 1 1 calc R . .
C10 C 0.4237(4) -0.0221(4) 0.1979(3) 0.0382(9) Uani 1 1 d . . .
C11 C 0.2750(6) -0.2473(5) 0.1650(4) 0.0685(16) Uani 1 1 d . . .
H11A H 0.1819 -0.2530 0.1447 0.103 Uiso 1 1 calc R . .
H11B H 0.2729 -0.3184 0.1925 0.103 Uiso 1 1 calc R . .
H11C H 0.3074 -0.2454 0.1161 0.103 Uiso 1 1 calc R . .
C12 C 0.3560(6) -0.1383(5) 0.3146(3) 0.0566(13) Uani 1 1 d . . .
H12A H 0.3956 -0.0548 0.3445 0.085 Uiso 1 1 calc R . .
H12B H 0.4053 -0.1812 0.3476 0.085 Uiso 1 1 calc R . .
H12C H 0.2581 -0.1813 0.3088 0.085 Uiso 1 1 calc R . .
C13 C 0.8305(5) 0.2121(5) 0.3264(4) 0.0610(14) Uani 1 1 d . . .
H13A H 0.8419 0.1864 0.2741 0.092 Uiso 1 1 calc R . .
H13B H 0.9115 0.2260 0.3763 0.092 Uiso 1 1 calc R . .
H13C H 0.8212 0.2879 0.3215 0.092 Uiso 1 1 calc R . .
C14 C 0.6643(6) 0.1412(6) 0.4478(3) 0.0666(15) Uani 1 1 d . . .
H14A H 0.6467 0.2129 0.4434 0.100 Uiso 1 1 calc R . .
H14B H 0.7529 0.1624 0.4931 0.100 Uiso 1 1 calc R . .
H14C H 0.5902 0.0752 0.4621 0.100 Uiso 1 1 calc R . .
C15 C 0.6929(6) -0.0557(6) 0.3427(4) 0.0697(16) Uani 1 1 d . . .
H15A H 0.6483 -0.1055 0.3809 0.104 Uiso 1 1 calc R . .
H15B H 0.7915 -0.0343 0.3639 0.104 Uiso 1 1 calc R . .
H15C H 0.6505 -0.1022 0.2845 0.104 Uiso 1 1 calc R . .
C16 C 0.2730(4) 0.1596(4) 0.3135(3) 0.0412(10) Uani 1 1 d . . .
C17 C 0.1827(5) 0.0652(5) 0.2433(3) 0.0525(13) Uani 1 1 d . . .
H17 H 0.1959 0.0728 0.1891 0.063 Uiso 1 1 calc R . .
C18 C 0.0725(5) -0.0406(5) 0.2523(4) 0.0620(14) Uani 1 1 d . . .
H18 H 0.0113 -0.1027 0.2041 0.074 Uiso 1 1 calc R . .
C19 C 0.0541(6) -0.0536(5) 0.3325(4) 0.0591(14) Uani 1 1 d . . .
H19 H -0.0202 -0.1239 0.3388 0.071 Uiso 1 1 calc R . .
C20 C 0.1460(6) 0.0376(5) 0.4032(4) 0.0585(14) Uani 1 1 d . . .
H20 H 0.1342 0.0287 0.4577 0.070 Uiso 1 1 calc R . .
C21 C 0.2565(5) 0.1433(5) 0.3943(3) 0.0503(12) Uani 1 1 d . . .
H21 H 0.3197 0.2036 0.4432 0.060 Uiso 1 1 calc R . .
C22 C 0.4205(5) 0.3805(4) 0.3338(3) 0.0429(10) Uani 1 1 d . . .
C23 C 0.1737(6) 0.3454(6) 0.2806(5) 0.0753(19) Uani 1 1 d . . .
H23A H 0.1693 0.2925 0.2339 0.113 Uiso 1 1 calc R . .
H23B H 0.1405 0.4039 0.2565 0.113 Uiso 1 1 calc R . .
H23C H 0.1156 0.2955 0.3126 0.113 Uiso 1 1 calc R . .
C24 C 0.3621(7) 0.5383(5) 0.3827(5) 0.0759(19) Uani 1 1 d . . .
H24A H 0.4386 0.5586 0.4369 0.114 Uiso 1 1 calc R . .
H24B H 0.2838 0.5408 0.3946 0.114 Uiso 1 1 calc R . .
H24C H 0.3919 0.5976 0.3448 0.114 Uiso 1 1 calc R . .
C25 C 0.6613(5) 0.4895(4) 0.3417(3) 0.0402(10) Uani 1 1 d . . .
C26 C 0.7770(6) 0.6833(5) 0.4457(4) 0.0608(14) Uani 1 1 d . . .
H26A H 0.7097 0.7086 0.4101 0.091 Uiso 1 1 calc R . .
H26B H 0.8672 0.7548 0.4699 0.091 Uiso 1 1 calc R . .
H26C H 0.7464 0.6460 0.4925 0.091 Uiso 1 1 calc R . .
C27 C 0.8975(5) 0.5593(5) 0.4434(4) 0.0640(15) Uani 1 1 d . . .
H27A H 0.8818 0.5364 0.4973 0.096 Uiso 1 1 calc R . .
H27B H 0.9886 0.6292 0.4562 0.096 Uiso 1 1 calc R . .
H27C H 0.8936 0.4901 0.4105 0.096 Uiso 1 1 calc R . .
C28 C 0.7228(6) 0.6321(5) 0.1743(4) 0.0595(14) Uani 1 1 d . . .
H28A H 0.6229 0.5980 0.1448 0.089 Uiso 1 1 calc R . .
H28B H 0.7712 0.6703 0.1343 0.089 Uiso 1 1 calc R . .
H28C H 0.7507 0.6935 0.2236 0.089 Uiso 1 1 calc R . .
C29 C 0.7206(6) 0.3890(5) 0.1182(4) 0.0656(15) Uani 1 1 d . . .
H29A H 0.7326 0.3185 0.1389 0.098 Uiso 1 1 calc R . .
H29B H 0.7803 0.4259 0.0839 0.098 Uiso 1 1 calc R . .
H29C H 0.6240 0.3624 0.0826 0.098 Uiso 1 1 calc R . .
C30 C 0.9648(6) 0.5737(6) 0.2639(5) 0.0753(18) Uani 1 1 d . . .
H30A H 0.9981 0.6452 0.3070 0.113 Uiso 1 1 calc R . .
H30B H 1.0069 0.5985 0.2191 0.113 Uiso 1 1 calc R . .
H30C H 0.9899 0.5127 0.2916 0.113 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'
Si Si 0.0817 0.0704 '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
N6 Mn N5 128.97(14) . . ?
N6 Mn N1 124.50(15) . . ?
N5 Mn N1 92.85(15) . . ?
N6 Mn N10 93.02(15) . . ?
N5 Mn N10 109.19(15) . . ?
N1 Mn N10 106.88(14) . . ?
C7 N1 C1 122.6(4) . . ?
C7 N1 Mn 117.8(3) . . ?
C1 N1 Mn 117.8(3) . . ?
C7 N2 C8 122.2(4) . . ?
C7 N2 C9 120.7(4) . . ?
C8 N2 C9 116.0(4) . . ?
C7 N3 C10 127.3(4) . . ?
C10 N4 C11 119.3(4) . . ?
C10 N4 C12 120.7(4) . . ?
C11 N4 C12 115.3(4) . . ?
C10 N5 Si1 128.7(3) . . ?
C10 N5 Mn 114.3(3) . . ?
Si1 N5 Mn 117.00(19) . . ?
C25 N6 Si2 119.3(3) . . ?
C25 N6 Mn 116.9(3) . . ?
Si2 N6 Mn 121.8(2) . . ?
C25 N7 C26 116.6(4) . . ?
C25 N7 C27 113.9(4) . . ?
C26 N7 C27 110.3(4) . . ?
C25 N8 C22 127.9(4) . . ?
C22 N9 C23 120.9(5) . . ?
C22 N9 C24 119.3(4) . . ?
C23 N9 C24 116.5(5) . . ?
C22 N10 C16 121.3(4) . . ?
C22 N10 Mn 117.2(3) . . ?
C16 N10 Mn 121.3(3) . . ?
N5 Si1 C13 106.8(2) . . ?
N5 Si1 C15 113.7(2) . . ?
C13 Si1 C15 106.4(3) . . ?
N5 Si1 C14 111.3(2) . . ?
C13 Si1 C14 106.4(3) . . ?
C15 Si1 C14 111.7(3) . . ?
N6 Si2 C29 105.7(2) . . ?
N6 Si2 C28 109.2(2) . . ?
C29 Si2 C28 109.8(3) . . ?
N6 Si2 C30 118.3(3) . . ?
C29 Si2 C30 105.5(3) . . ?
C28 Si2 C30 108.1(3) . . ?
C2 C1 C6 117.2(4) . . ?
C2 C1 N1 124.4(4) . . ?
C6 C1 N1 118.1(4) . . ?
C3 C2 C1 122.3(5) . . ?
C3 C2 H2 118.9 . . ?
C1 C2 H2 118.9 . . ?
C2 C3 C4 119.5(5) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 119.3(5) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C4 C5 C6 120.4(5) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C5 C6 C1 121.3(4) . . ?
C5 C6 H6 119.3 . . ?
C1 C6 H6 119.3 . . ?
N3 C7 N1 125.3(4) . . ?
N3 C7 N2 114.3(4) . . ?
N1 C7 N2 120.3(4) . . ?
N2 C8 H8A 109.5 . . ?
N2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2 C9 H9A 109.5 . . ?
N2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N3 C10 N5 126.8(4) . . ?
N3 C10 N4 113.4(4) . . ?
N5 C10 N4 119.7(4) . . ?
N4 C11 H11A 109.5 . . ?
N4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N4 C12 H12A 109.5 . . ?
N4 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N4 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 118.5(4) . . ?
C21 C16 N10 121.1(4) . . ?
C17 C16 N10 120.0(4) . . ?
C16 C17 C18 121.0(5) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
C19 C18 C17 119.8(5) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C20 C19 C18 119.5(5) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C19 C20 C21 120.6(5) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C16 C21 C20 120.4(5) . . ?
C16 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
N10 C22 N8 123.7(4) . . ?
N10 C22 N9 122.2(4) . . ?
N8 C22 N9 114.0(4) . . ?
N9 C23 H23A 109.5 . . ?
N9 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N9 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N9 C24 H24A 109.5 . . ?
N9 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N9 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N8 C25 N6 129.2(4) . . ?
N8 C25 N7 114.1(4) . . ?
N6 C25 N7 116.6(4) . . ?
N7 C26 H26A 109.5 . . ?
N7 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N7 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N7 C27 H27A 109.5 . . ?
N7 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N7 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si2 C28 H28A 109.5 . . ?
Si2 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si2 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si2 C30 H30A 109.5 . . ?
Si2 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si2 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 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
Mn N6 2.074(4) . ?
Mn N5 2.076(4) . ?
Mn N1 2.096(4) . ?
Mn N10 2.103(4) . ?
N1 C7 1.343(6) . ?
N1 C1 1.402(5) . ?
N2 C7 1.374(6) . ?
N2 C8 1.449(6) . ?
N2 C9 1.447(6) . ?
N3 C7 1.324(5) . ?
N3 C10 1.328(5) . ?
N4 C10 1.385(6) . ?
N4 C11 1.447(7) . ?
N4 C12 1.452(6) . ?
N5 C10 1.335(5) . ?
N5 Si1 1.730(4) . ?
N6 C25 1.334(6) . ?
N6 Si2 1.741(4) . ?
N7 C25 1.415(6) . ?
N7 C26 1.459(6) . ?
N7 C27 1.463(6) . ?
N8 C25 1.314(6) . ?
N8 C22 1.348(6) . ?
N9 C22 1.365(6) . ?
N9 C23 1.461(7) . ?
N9 C24 1.468(7) . ?
N10 C22 1.337(6) . ?
N10 C16 1.424(5) . ?
Si1 C13 1.855(5) . ?
Si1 C15 1.854(6) . ?
Si1 C14 1.867(5) . ?
Si2 C29 1.853(6) . ?
Si2 C28 1.858(5) . ?
Si2 C30 1.871(6) . ?
C1 C2 1.386(6) . ?
C1 C6 1.390(6) . ?
C2 C3 1.383(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.385(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.382(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.383(7) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C21 1.378(6) . ?
C16 C17 1.380(7) . ?
C17 C18 1.387(7) . ?
C17 H17 0.9300 . ?
C18 C19 1.373(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.369(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.387(7) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
