#------------------------------------------------------------------------------
#$Date: 2016-03-21 11:04:52 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178679 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/90/4079092.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_4079092
loop_
_publ_author_name
'Engerer, Laura K.'
'Carlson, Christin N.'
'Hanusa, Timothy P.'
'Brennessel, William W.'
'Young, Victor G.'
_publ_section_title
;
 σ- vs π-Bonding in Manganese(II) Allyl Complexes
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              6131
_journal_paper_doi               10.1021/om300478v
_journal_volume                  31
_journal_year                    2012
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C36 H84 K2 Mn Si8'
_chemical_formula_sum            'C36 H84 K2 Mn Si8'
_chemical_formula_weight         874.89
_chemical_name_common            02132
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 96.653(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.046(2)
_cell_length_b                   10.253(2)
_cell_length_c                   44.850(7)
_cell_measurement_reflns_used    3084
_cell_measurement_temperature    173(2)
_cell_volume                     5502.0(17)
_computing_cell_refinement       'SAINT, Bruker'
_computing_data_collection       'SMART, Bruker'
_computing_data_reduction        'SAINT, Bruker'
_computing_molecular_graphics    'SHELXTL, Bruker'
_computing_structure_refinement  SHELXL-97
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Siemens SMART Platform CCD'
_diffrn_measurement_method       'area detector, omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0692
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_limit_l_min       -53
_diffrn_reflns_number            18806
_diffrn_reflns_theta_full        25.29
_diffrn_reflns_theta_max         25.29
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.586
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.837660
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, R. Blessing, 1995'
_exptl_crystal_colour            yellow-orange
_exptl_crystal_density_diffrn    1.056
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1900
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.595
_refine_diff_density_min         -0.566
_refine_diff_density_rms         0.079
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     971
_refine_ls_number_reflns         18806
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0641
_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)+(0.0535P)²+12.2871P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1546
_refine_ls_wR_factor_ref         0.1595
_reflns_number_gt                17067
_reflns_number_total             18806
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300478v_si_002.cif
_cod_data_source_block           02132
_cod_original_cell_volume        5502(1)
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               4079092
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
K1 K 0.05053(14) 0.82248(19) 0.85310(4) 0.0478(5) Uani 1 1 d .
Si1 Si 0.36804(18) 0.8460(2) 0.91038(4) 0.0373(5) Uani 1 1 d .
C1 C 0.3324(8) 0.8098(11) 0.94915(17) 0.060(3) Uani 1 1 d .
H1A H 0.2641 0.8567 0.9526 0.090 Uiso 1 1 calc R
H1B H 0.3940 0.8379 0.9640 0.090 Uiso 1 1 calc R
H1C H 0.3205 0.7158 0.9512 0.090 Uiso 1 1 calc R
C2 C 0.3370(10) 1.0207(9) 0.9012(2) 0.075(4) Uani 1 1 d .
H2A H 0.3562 1.0400 0.8811 0.112 Uiso 1 1 calc R
H2B H 0.3811 1.0765 0.9159 0.112 Uiso 1 1 calc R
H2C H 0.2572 1.0375 0.9020 0.112 Uiso 1 1 calc R
C3 C 0.5227(7) 0.8261(9) 0.9114(2) 0.056(2) Uani 1 1 d .
H3A H 0.5431 0.8272 0.8909 0.085 Uiso 1 1 calc R
H3B H 0.5454 0.7428 0.9210 0.085 Uiso 1 1 calc R
H3C H 0.5606 0.8977 0.9230 0.085 Uiso 1 1 calc R
C4 C 0.2899(6) 0.7384(7) 0.88279(15) 0.0324(16) Uani 1 1 d D
H4A H 0.252(5) 0.666(5) 0.8904(15) 0.039 Uiso 1 1 d D
C5 C 0.2901(6) 0.7479(7) 0.85131(17) 0.0337(17) Uani 1 1 d D
H5A H 0.332(5) 0.818(5) 0.8439(15) 0.040 Uiso 1 1 d D
C6 C 0.2367(6) 0.6725(7) 0.82866(15) 0.0329(17) Uani 1 1 d D
H6A H 0.185(4) 0.610(5) 0.8354(15) 0.040 Uiso 1 1 d D
Si2 Si 0.23626(17) 0.6951(2) 0.78822(4) 0.0333(5) Uani 1 1 d .
C7 C 0.3133(7) 0.8459(9) 0.78021(18) 0.047(2) Uani 1 1 d .
H7A H 0.2693 0.9225 0.7846 0.070 Uiso 1 1 calc R
H7B H 0.3260 0.8469 0.7590 0.070 Uiso 1 1 calc R
H7C H 0.3854 0.8478 0.7928 0.070 Uiso 1 1 calc R
C8 C 0.0895(7) 0.7096(12) 0.76949(18) 0.064(3) Uani 1 1 d .
H8A H 0.0499 0.7771 0.7796 0.096 Uiso 1 1 calc R
H8B H 0.0510 0.6259 0.7708 0.096 Uiso 1 1 calc R
H8C H 0.0908 0.7332 0.7484 0.096 Uiso 1 1 calc R
C9 C 0.3017(10) 0.5530(11) 0.7707(2) 0.073(3) Uani 1 1 d .
H9A H 0.2668 0.4720 0.7765 0.109 Uiso 1 1 calc R
H9B H 0.3819 0.5508 0.7776 0.109 Uiso 1 1 calc R
H9C H 0.2906 0.5619 0.7488 0.109 Uiso 1 1 calc R
Si3 Si -0.03550(16) 0.6213(2) 0.91814(4) 0.0285(4) Uani 1 1 d .
C10 C -0.1642(6) 0.6267(9) 0.93647(17) 0.0399(18) Uani 1 1 d .
H10A H -0.1989 0.5401 0.9356 0.060 Uiso 1 1 calc R
H10B H -0.2162 0.6898 0.9261 0.060 Uiso 1 1 calc R
H10C H -0.1461 0.6531 0.9575 0.060 Uiso 1 1 calc R
C11 C 0.0772(6) 0.5240(9) 0.93940(17) 0.0404(19) Uani 1 1 d .
H11A H 0.0608 0.4308 0.9366 0.061 Uiso 1 1 calc R
H11B H 0.0817 0.5458 0.9608 0.061 Uiso 1 1 calc R
H11C H 0.1488 0.5439 0.9320 0.061 Uiso 1 1 calc R
C12 C 0.0172(7) 0.7942(8) 0.92014(18) 0.0412(19) Uani 1 1 d .
H12A H 0.0839 0.8009 0.9096 0.062 Uiso 1 1 calc R
H12B H 0.0362 0.8193 0.9412 0.062 Uiso 1 1 calc R
H12C H -0.0410 0.8525 0.9107 0.062 Uiso 1 1 calc R
C13 C -0.0610(6) 0.5537(7) 0.87932(15) 0.0278(15) Uani 1 1 d D
H13A H 0.013(3) 0.529(7) 0.8765(15) 0.033 Uiso 1 1 d D
C14 C -0.1432(6) 0.6204(6) 0.85780(16) 0.0288(15) Uani 1 1 d D
H14A H -0.206(3) 0.651(7) 0.8676(13) 0.035 Uiso 1 1 d D
C15 C -0.1401(6) 0.6412(7) 0.82839(15) 0.0316(16) Uani 1 1 d D
H15A H -0.066(3) 0.619(7) 0.8247(16) 0.038 Uiso 1 1 d D
Si4 Si -0.25105(19) 0.7119(2) 0.80130(5) 0.0392(5) Uani 1 1 d .
C16 C -0.3856(7) 0.7053(11) 0.8181(2) 0.062(3) Uani 1 1 d .
H16A H -0.3749 0.7424 0.8384 0.094 Uiso 1 1 calc R
H16B H -0.4101 0.6145 0.8191 0.094 Uiso 1 1 calc R
H16C H -0.4425 0.7557 0.8056 0.094 Uiso 1 1 calc R
C17 C -0.2177(8) 0.8846(8) 0.7918(2) 0.054(2) Uani 1 1 d .
H17A H -0.2117 0.9379 0.8100 0.081 Uiso 1 1 calc R
H17B H -0.2773 0.9192 0.7772 0.081 Uiso 1 1 calc R
H17C H -0.1466 0.8869 0.7832 0.081 Uiso 1 1 calc R
C18 C -0.2641(10) 0.6146(10) 0.76543(18) 0.072(3) Uani 1 1 d .
H18A H -0.2936 0.5277 0.7691 0.107 Uiso 1 1 calc R
H18B H -0.1903 0.6060 0.7584 0.107 Uiso 1 1 calc R
H18C H -0.3149 0.6594 0.7501 0.107 Uiso 1 1 calc R
Mn1 Mn -0.14091(8) 0.35762(11) 0.88023(2) 0.0289(2) Uani 1 1 d .
Si5 Si 0.07749(16) 0.22860(18) 0.83827(4) 0.0285(4) Uani 1 1 d .
C19 C 0.0237(7) 0.3344(7) 0.80609(17) 0.0405(18) Uani 1 1 d .
H19A H -0.0426 0.2941 0.7951 0.061 Uiso 1 1 calc R
H19B H 0.0816 0.3449 0.7926 0.061 Uiso 1 1 calc R
H19C H 0.0039 0.4201 0.8136 0.061 Uiso 1 1 calc R
C20 C 0.1404(8) 0.0834(8) 0.82060(19) 0.046(2) Uani 1 1 d .
H20A H 0.0806 0.0293 0.8104 0.069 Uiso 1 1 calc R
H20B H 0.1840 0.0318 0.8362 0.069 Uiso 1 1 calc R
H20C H 0.1894 0.1136 0.8060 0.069 Uiso 1 1 calc R
C21 C 0.1967(6) 0.3163(8) 0.86105(18) 0.0369(18) Uani 1 1 d .
H21A H 0.1678 0.3662 0.8771 0.055 Uiso 1 1 calc R
H21B H 0.2326 0.3758 0.8480 0.055 Uiso 1 1 calc R
H21C H 0.2515 0.2524 0.8698 0.055 Uiso 1 1 calc R
C22 C -0.0298(6) 0.1887(7) 0.86226(16) 0.0323(16) Uani 1 1 d D
H22A H -0.092(4) 0.133(6) 0.8575(16) 0.039 Uiso 1 1 d D
C23 C -0.0154(5) 0.1879(7) 0.89420(15) 0.0290(16) Uani 1 1 d D
H23A H 0.057(3) 0.212(7) 0.9044(13) 0.035 Uiso 1 1 d D
C24 C -0.0947(6) 0.1693(7) 0.91399(14) 0.0283(15) Uani 1 1 d D
H24A H -0.164(3) 0.135(7) 0.9048(14) 0.034 Uiso 1 1 d D
Si6 Si -0.06886(19) 0.1510(2) 0.95534(4) 0.0332(5) Uani 1 1 d .
C25 C 0.0839(7) 0.1249(9) 0.96699(19) 0.048(2) Uani 1 1 d .
H25A H 0.1224 0.2093 0.9683 0.072 Uiso 1 1 calc R
H25B H 0.1150 0.0699 0.9521 0.072 Uiso 1 1 calc R
H25C H 0.0942 0.0818 0.9866 0.072 Uiso 1 1 calc R
C26 C -0.1530(8) 0.0091(8) 0.96605(19) 0.050(2) Uani 1 1 d .
H26A H -0.2317 0.0222 0.9583 0.076 Uiso 1 1 calc R
H26B H -0.1461 0.0017 0.9880 0.076 Uiso 1 1 calc R
H26C H -0.1255 -0.0709 0.9575 0.076 Uiso 1 1 calc R
C27 C -0.1142(8) 0.2953(9) 0.9768(2) 0.057(2) Uani 1 1 d .
H27A H -0.1904 0.3203 0.9687 0.085 Uiso 1 1 calc R
H27B H -0.0634 0.3686 0.9747 0.085 Uiso 1 1 calc R
H27C H -0.1125 0.2723 0.9980 0.085 Uiso 1 1 calc R
K2 K -0.57573(15) 0.51282(18) 0.86403(4) 0.0446(4) Uani 1 1 d .
Si7 Si -0.36951(16) 0.2343(2) 0.83639(4) 0.0308(4) Uani 1 1 d .
C28 C -0.5199(7) 0.2546(11) 0.8220(2) 0.058(3) Uani 1 1 d .
H28A H -0.5338 0.3451 0.8156 0.087 Uiso 1 1 calc R
H28B H -0.5660 0.2334 0.8380 0.087 Uiso 1 1 calc R
H28C H -0.5390 0.1960 0.8049 0.087 Uiso 1 1 calc R
C29 C -0.2895(7) 0.2534(9) 0.80413(17) 0.048(2) Uani 1 1 d .
H29A H -0.2945 0.3441 0.7972 0.072 Uiso 1 1 calc R
H29B H -0.3203 0.1955 0.7879 0.072 Uiso 1 1 calc R
H29C H -0.2110 0.2309 0.8102 0.072 Uiso 1 1 calc R
C30 C -0.3588(8) 0.0657(8) 0.8510(2) 0.049(2) Uani 1 1 d .
H30A H -0.3708 0.0040 0.8343 0.073 Uiso 1 1 calc R
H30B H -0.4156 0.0518 0.8647 0.073 Uiso 1 1 calc R
H30C H -0.2843 0.0520 0.8619 0.073 Uiso 1 1 calc R
C31 C -0.3222(5) 0.3507(7) 0.86700(14) 0.0258(14) Uani 1 1 d D
H31A H -0.343(6) 0.434(3) 0.8576(14) 0.031 Uiso 1 1 d D
C32 C -0.3713(5) 0.3345(6) 0.89517(14) 0.0257(14) Uani 1 1 d D
H32A H -0.379(6) 0.249(3) 0.9036(14) 0.031 Uiso 1 1 d D
C33 C -0.4052(6) 0.4242(7) 0.91428(16) 0.0338(17) Uani 1 1 d D
H33A H -0.375(5) 0.510(3) 0.9138(17) 0.041 Uiso 1 1 d D
Si8 Si -0.46787(18) 0.3948(2) 0.94897(5) 0.0347(5) Uani 1 1 d .
C34 C -0.6245(7) 0.4165(12) 0.9407(2) 0.063(3) Uani 1 1 d .
H34A H -0.6410 0.5050 0.9332 0.095 Uiso 1 1 calc R
H34B H -0.6594 0.4030 0.9592 0.095 Uiso 1 1 calc R
H34C H -0.6543 0.3529 0.9256 0.095 Uiso 1 1 calc R
C35 C -0.4402(8) 0.2280(9) 0.96260(18) 0.052(2) Uani 1 1 d .
H35A H -0.3595 0.2120 0.9651 0.078 Uiso 1 1 calc R
H35B H -0.4771 0.1659 0.9481 0.078 Uiso 1 1 calc R
H35C H -0.4694 0.2169 0.9820 0.078 Uiso 1 1 calc R
C36 C -0.4121(8) 0.5152(9) 0.97837(18) 0.053(2) Uani 1 1 d .
H36A H -0.3329 0.4972 0.9846 0.080 Uiso 1 1 calc R
H36B H -0.4539 0.5076 0.9958 0.080 Uiso 1 1 calc R
H36C H -0.4203 0.6037 0.9702 0.080 Uiso 1 1 calc R
K3 K 0.19094(15) 0.3157(2) 0.64875(4) 0.0525(5) Uani 1 1 d .
Si9 Si 0.45968(19) 0.3448(2) 0.59246(4) 0.0397(5) Uani 1 1 d .
C37 C 0.6159(7) 0.3197(10) 0.5919(2) 0.061(3) Uani 1 1 d .
H37A H 0.6297 0.2309 0.5851 0.091 Uiso 1 1 calc R
H37B H 0.6546 0.3328 0.6121 0.091 Uiso 1 1 calc R
H37C H 0.6439 0.3826 0.5781 0.091 Uiso 1 1 calc R
C38 C 0.3890(9) 0.3150(11) 0.5544(2) 0.068(3) Uani 1 1 d .
H38A H 0.3851 0.2209 0.5506 0.102 Uiso 1 1 calc R
H38B H 0.4311 0.3571 0.5397 0.102 Uiso 1 1 calc R
H38C H 0.3132 0.3511 0.5528 0.102 Uiso 1 1 calc R
C39 C 0.4419(11) 0.5226(10) 0.6020(3) 0.083(4) Uani 1 1 d .
H39A H 0.3621 0.5436 0.6006 0.125 Uiso 1 1 calc R
H39B H 0.4775 0.5771 0.5879 0.125 Uiso 1 1 calc R
H39C H 0.4769 0.5393 0.6225 0.125 Uiso 1 1 calc R
C40 C 0.4040(6) 0.2396(8) 0.61972(15) 0.0336(17) Uani 1 1 d D
H40A H 0.352(4) 0.178(5) 0.6099(15) 0.040 Uiso 1 1 d D
C41 C 0.4330(6) 0.2491(7) 0.65102(15) 0.0291(15) Uani 1 1 d D
H41A H 0.490(4) 0.313(5) 0.6566(15) 0.035 Uiso 1 1 d D
C42 C 0.3967(7) 0.1704(7) 0.67406(17) 0.0370(18) Uani 1 1 d D
H42A H 0.356(5) 0.093(4) 0.6681(17) 0.044 Uiso 1 1 d D
Si10 Si 0.43433(17) 0.18883(19) 0.71437(4) 0.0306(4) Uani 1 1 d .
C43 C 0.3023(6) 0.1922(9) 0.73304(17) 0.0416(19) Uani 1 1 d .
H43A H 0.2666 0.2778 0.7300 0.062 Uiso 1 1 calc R
H43B H 0.3204 0.1760 0.7546 0.062 Uiso 1 1 calc R
H43C H 0.2511 0.1244 0.7243 0.062 Uiso 1 1 calc R
C44 C 0.5183(7) 0.0486(9) 0.73211(19) 0.047(2) Uani 1 1 d .
H44A H 0.5964 0.0576 0.7282 0.070 Uiso 1 1 calc R
H44B H 0.4879 -0.0336 0.7235 0.070 Uiso 1 1 calc R
H44C H 0.5145 0.0489 0.7538 0.070 Uiso 1 1 calc R
C45 C 0.5132(6) 0.3438(8) 0.72349(15) 0.0379(18) Uani 1 1 d .
H45A H 0.5773 0.3481 0.7119 0.057 Uiso 1 1 calc R
H45B H 0.5397 0.3459 0.7450 0.057 Uiso 1 1 calc R
H45C H 0.4639 0.4185 0.7184 0.057 Uiso 1 1 calc R
Si11 Si 0.04566(17) 0.1262(2) 0.58305(4) 0.0299(4) Uani 1 1 d .
C46 C 0.1394(7) 0.0294(9) 0.56146(18) 0.045(2) Uani 1 1 d .
H46A H 0.2152 0.0293 0.5721 0.067 Uiso 1 1 calc R
H46B H 0.1408 0.0683 0.5415 0.067 Uiso 1 1 calc R
H46C H 0.1118 -0.0604 0.5593 0.067 Uiso 1 1 calc R
C47 C -0.1020(6) 0.1318(8) 0.56397(16) 0.0358(17) Uani 1 1 d .
H47A H -0.1502 0.1746 0.5772 0.054 Uiso 1 1 calc R
H47B H -0.1287 0.0428 0.5596 0.054 Uiso 1 1 calc R
H47C H -0.1039 0.1810 0.5452 0.054 Uiso 1 1 calc R
C48 C 0.0972(7) 0.2988(8) 0.5819(2) 0.048(2) Uani 1 1 d .
H48A H 0.0574 0.3533 0.5951 0.072 Uiso 1 1 calc R
H48B H 0.0836 0.3319 0.5613 0.072 Uiso 1 1 calc R
H48C H 0.1775 0.3013 0.5886 0.072 Uiso 1 1 calc R
C49 C 0.0504(6) 0.0573(7) 0.62141(15) 0.0276(16) Uani 1 1 d D
H49A H 0.118(3) 0.030(7) 0.6330(13) 0.033 Uiso 1 1 d D
C50 C -0.0090(5) 0.1199(7) 0.64351(14) 0.0248(14) Uani 1 1 d D
H50A H -0.086(2) 0.145(7) 0.6390(15) 0.030 Uiso 1 1 d D
C51 C 0.0196(6) 0.1411(7) 0.67316(15) 0.0323(16) Uani 1 1 d D
H51A H 0.087(3) 0.094(6) 0.6800(16) 0.039 Uiso 1 1 d D
Si12 Si -0.0665(2) 0.2067(2) 0.70041(5) 0.0438(6) Uani 1 1 d .
C52 C -0.0253(9) 0.3780(9) 0.7115(2) 0.061(3) Uani 1 1 d .
H52A H -0.0228 0.4312 0.6935 0.092 Uiso 1 1 calc R
H52B H 0.0486 0.3775 0.7233 0.092 Uiso 1 1 calc R
H52C H -0.0802 0.4148 0.7237 0.092 Uiso 1 1 calc R
C53 C -0.2180(8) 0.1997(11) 0.6845(2) 0.062(3) Uani 1 1 d .
H53A H -0.2266 0.2351 0.6641 0.093 Uiso 1 1 calc R
H53B H -0.2626 0.2515 0.6971 0.093 Uiso 1 1 calc R
H53C H -0.2437 0.1090 0.6840 0.093 Uiso 1 1 calc R
C54 C -0.0488(12) 0.1098(11) 0.7356(2) 0.084(4) Uani 1 1 d .
H54A H -0.0628 0.0175 0.7309 0.126 Uiso 1 1 calc R
H54B H -0.1018 0.1404 0.7491 0.126 Uiso 1 1 calc R
H54C H 0.0277 0.1204 0.7455 0.126 Uiso 1 1 calc R
Mn2 Mn -0.02816(9) -0.14048(11) 0.61921(2) 0.0294(2) Uani 1 1 d .
Si13 Si 0.22892(16) -0.2714(2) 0.65975(4) 0.0287(4) Uani 1 1 d .
C55 C 0.3286(6) -0.1816(7) 0.63761(17) 0.0355(17) Uani 1 1 d .
H55A H 0.3012 -0.0927 0.6334 0.053 Uiso 1 1 calc R
H55B H 0.3339 -0.2273 0.6186 0.053 Uiso 1 1 calc R
H55C H 0.4026 -0.1782 0.6492 0.053 Uiso 1 1 calc R
C56 C 0.2030(7) -0.1678(9) 0.69288(15) 0.0417(19) Uani 1 1 d .
H56A H 0.1502 -0.0981 0.6862 0.063 Uiso 1 1 calc R
H56B H 0.2737 -0.1295 0.7018 0.063 Uiso 1 1 calc R
H56C H 0.1717 -0.2220 0.7078 0.063 Uiso 1 1 calc R
C57 C 0.3064(8) -0.4178(8) 0.67710(19) 0.049(2) Uani 1 1 d .
H57A H 0.2558 -0.4704 0.6878 0.074 Uiso 1 1 calc R
H57B H 0.3697 -0.3885 0.6912 0.074 Uiso 1 1 calc R
H57C H 0.3340 -0.4705 0.6613 0.074 Uiso 1 1 calc R
C58 C 0.0982(6) -0.3103(7) 0.63645(15) 0.0296(15) Uani 1 1 d D
H58A H 0.042(4) -0.354(6) 0.6459(14) 0.036 Uiso 1 1 d D
C59 C 0.0844(6) -0.3097(7) 0.60464(14) 0.0259(15) Uani 1 1 d D
H59A H 0.148(3) -0.284(7) 0.5954(13) 0.031 Uiso 1 1 d D
C60 C -0.0117(6) -0.3277(7) 0.58543(15) 0.0309(16) Uani 1 1 d D
H60A H -0.075(4) -0.353(7) 0.5956(13) 0.037 Uiso 1 1 d D
Si14 Si -0.02183(19) -0.3449(2) 0.54381(4) 0.0353(5) Uani 1 1 d .
C61 C 0.1214(8) -0.3663(10) 0.53248(16) 0.054(2) Uani 1 1 d .
H61A H 0.1174 -0.3661 0.5105 0.081 Uiso 1 1 calc R
H61B H 0.1526 -0.4495 0.5403 0.081 Uiso 1 1 calc R
H61C H 0.1694 -0.2946 0.5407 0.081 Uiso 1 1 calc R
C62 C -0.1138(8) -0.4889(9) 0.53261(17) 0.048(2) Uani 1 1 d .
H62A H -0.1086 -0.5104 0.5115 0.072 Uiso 1 1 calc R
H62B H -0.1914 -0.4674 0.5352 0.072 Uiso 1 1 calc R
H62C H -0.0894 -0.5638 0.5453 0.072 Uiso 1 1 calc R
C63 C -0.0882(8) -0.2019(9) 0.52235(17) 0.048(2) Uani 1 1 d .
H63A H -0.1229 -0.2312 0.5026 0.072 Uiso 1 1 calc R
H63B H -0.0310 -0.1363 0.5197 0.072 Uiso 1 1 calc R
H63C H -0.1455 -0.1636 0.5335 0.072 Uiso 1 1 calc R
K4 K -0.44444(16) 0.01392(19) 0.63616(4) 0.0445(4) Uani 1 1 d .
Si15 Si -0.21896(16) -0.2638(2) 0.66208(4) 0.0315(5) Uani 1 1 d .
C64 C -0.3575(7) -0.2450(11) 0.67770(19) 0.055(3) Uani 1 1 d .
H64A H -0.3561 -0.1657 0.6899 0.083 Uiso 1 1 calc R
H64B H -0.3703 -0.3209 0.6901 0.083 Uiso 1 1 calc R
H64C H -0.4178 -0.2387 0.6611 0.083 Uiso 1 1 calc R
C65 C -0.2155(8) -0.4386(9) 0.6485(2) 0.054(2) Uani 1 1 d .
H65A H -0.1378 -0.4680 0.6495 0.082 Uiso 1 1 calc R
H65B H -0.2511 -0.4439 0.6278 0.082 Uiso 1 1 calc R
H65C H -0.2559 -0.4945 0.6614 0.082 Uiso 1 1 calc R
C66 C -0.1109(7) -0.2386(9) 0.69501(17) 0.046(2) Uani 1 1 d .
H66A H -0.1076 -0.1459 0.7004 0.069 Uiso 1 1 calc R
H66B H -0.0378 -0.2668 0.6898 0.069 Uiso 1 1 calc R
H66C H -0.1306 -0.2898 0.7121 0.069 Uiso 1 1 calc R
C67 C -0.1985(5) -0.1472(7) 0.63230(13) 0.0243(13) Uani 1 1 d D
H67A H -0.184(6) -0.057(3) 0.6372(15) 0.029 Uiso 1 1 d D
C68 C -0.2721(6) -0.1660(7) 0.60356(14) 0.0298(16) Uani 1 1 d D
H68A H -0.291(6) -0.256(3) 0.5997(16) 0.036 Uiso 1 1 d D
C69 C -0.3245(6) -0.0753(7) 0.58444(15) 0.0302(16) Uani 1 1 d D
H69A H -0.296(6) 0.010(3) 0.5885(16) 0.036 Uiso 1 1 d D
Si16 Si -0.41666(17) -0.1059(2) 0.54954(4) 0.0356(5) Uani 1 1 d .
C70 C -0.4004(7) -0.2796(9) 0.53544(19) 0.050(2) Uani 1 1 d .
H70A H -0.3246 -0.2914 0.5299 0.076 Uiso 1 1 calc R
H70B H -0.4549 -0.2951 0.5178 0.076 Uiso 1 1 calc R
H70C H -0.4132 -0.3416 0.5513 0.076 Uiso 1 1 calc R
C71 C -0.3848(7) 0.0162(9) 0.52092(17) 0.044(2) Uani 1 1 d .
H71A H -0.3153 -0.0082 0.5129 0.066 Uiso 1 1 calc R
H71B H -0.3763 0.1026 0.5302 0.066 Uiso 1 1 calc R
H71C H -0.4462 0.0182 0.5045 0.066 Uiso 1 1 calc R
C72 C -0.5667(7) -0.0854(13) 0.5573(2) 0.071(3) Uani 1 1 d .
H72A H -0.5800 0.0059 0.5622 0.107 Uiso 1 1 calc R
H72B H -0.5809 -0.1412 0.5742 0.107 Uiso 1 1 calc R
H72C H -0.6168 -0.1104 0.5394 0.107 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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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
C5 K1 C6 26.4(2) . .
C5 K1 C15 121.3(2) . .
C6 K1 C15 96.7(2) . .
C5 K1 C14 123.9(2) . .
C6 K1 C14 106.0(2) . .
C15 K1 C14 24.91(18) . .
C5 K1 C4 26.46(19) . .
C6 K1 C4 48.27(18) . .
C15 K1 C4 126.7(2) . .
C14 K1 C4 116.15(19) . .
C5 K1 C20 80.1(2) . 1_565
C6 K1 C20 87.5(2) . 1_565
C15 K1 C20 127.2(2) . 1_565
C14 K1 C20 148.2(2) . 1_565
C4 K1 C20 94.5(2) . 1_565
C5 K1 C13 103.12(19) . .
C6 K1 C13 93.1(2) . .
C15 K1 C13 46.42(17) . .
C14 K1 C13 25.96(17) . .
C4 K1 C13 90.64(19) . .
C20 K1 C13 173.7(2) 1_565 .
C5 K1 H6A 39.1(9) . .
C6 K1 H6A 18.6(4) . .
C15 K1 H6A 82.2(10) . .
C14 K1 H6A 88.1(6) . .
C4 K1 H6A 52.6(13) . .
C20 K1 H6A 105.6(6) 1_565 .
C13 K1 H6A 74.7(5) . .
C5 K1 H15A 103.5(6) . .
C6 K1 H15A 78.7(6) . .
C15 K1 H15A 18.0(5) . .
C14 K1 H15A 35.7(11) . .
C4 K1 H15A 112.4(10) . .
C20 K1 H15A 126.1(15) 1_565 .
C13 K1 H15A 48.1(15) . .
H6A K1 H15A 64.6(12) . .
C4 Si1 C2 110.8(4) . .
C4 Si1 C3 112.5(4) . .
C2 Si1 C3 106.5(5) . .
C4 Si1 C1 110.6(4) . .
C2 Si1 C1 109.4(5) . .
C3 Si1 C1 106.8(4) . .
Si1 C1 H1A 109.5 . .
Si1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
Si1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
Si1 C2 H2A 109.5 . .
Si1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
Si1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
Si1 C3 H3A 109.5 . .
Si1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
Si1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C5 C4 Si1 124.8(6) . .
C5 C4 K2 73.1(4) . 1_655
Si1 C4 K2 113.7(3) . 1_655
C5 C4 K1 70.5(4) . .
Si1 C4 K1 119.5(3) . .
K2 C4 K1 126.1(2) 1_655 .
C5 C4 H4A 118(5) . .
Si1 C4 H4A 117(4) . .
K2 C4 H4A 78(4) 1_655 .
K1 C4 H4A 85(4) . .
C6 C5 C4 130.0(7) . .
C6 C5 K2 83.2(4) . 1_655
C4 C5 K2 79.2(4) . 1_655
C6 C5 K1 78.1(4) . .
C4 C5 K1 83.0(4) . .
K2 C5 K1 135.9(3) 1_655 .
C6 C5 H5A 113(4) . .
C4 C5 H5A 117(4) . .
K2 C5 H5A 112(4) 1_655 .
K1 C5 H5A 112(4) . .
C5 C6 Si2 127.5(6) . .
C5 C6 K1 75.5(4) . .
Si2 C6 K1 112.2(3) . .
C5 C6 K2 70.5(4) . 1_655
Si2 C6 K2 119.8(3) . 1_655
K1 C6 K2 127.9(2) . 1_655
C5 C6 H6A 114(4) . .
Si2 C6 H6A 118(4) . .
K1 C6 H6A 72(4) . .
K2 C6 H6A 87(4) 1_655 .
C6 Si2 C7 110.7(4) . .
C6 Si2 C9 111.4(4) . .
C7 Si2 C9 108.8(4) . .
C6 Si2 C8 110.4(4) . .
C7 Si2 C8 108.3(4) . .
C9 Si2 C8 107.1(5) . .
Si2 C7 H7A 109.5 . .
Si2 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
Si2 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
Si2 C8 H8A 109.5 . .
Si2 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
Si2 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
Si2 C9 H9A 109.5 . .
Si2 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
Si2 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C10 Si3 C11 113.0(4) . .
C10 Si3 C13 111.9(3) . .
C11 Si3 C13 108.1(3) . .
C10 Si3 C12 104.3(4) . .
C11 Si3 C12 105.0(4) . .
C13 Si3 C12 114.4(3) . .
Si3 C10 H10A 109.5 . .
Si3 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
Si3 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
Si3 C11 H11A 109.5 . .
Si3 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
Si3 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
Si3 C12 H12A 109.5 . .
Si3 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
Si3 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 Si3 117.8(5) . .
C14 C13 Mn1 99.9(4) . .
Si3 C13 Mn1 110.0(3) . .
C14 C13 K1 69.7(4) . .
Si3 C13 K1 89.6(3) . .
Mn1 C13 K1 160.4(3) . .
C14 C13 H13A 127(4) . .
Si3 C13 H13A 100(4) . .
Mn1 C13 H13A 100(5) . .
K1 C13 H13A 75(5) . .
C15 C14 C13 128.8(7) . .
C15 C14 K1 74.0(4) . .
C13 C14 K1 84.4(4) . .
C15 C14 H14A 121(4) . .
C13 C14 H14A 111(4) . .
K1 C14 H14A 116(4) . .
C14 C15 Si4 127.5(6) . .
C14 C15 K1 81.1(4) . .
Si4 C15 K1 117.1(3) . .
C14 C15 H15A 106(4) . .
Si4 C15 H15A 127(4) . .
K1 C15 H15A 62(4) . .
C15 Si4 C16 108.5(4) . .
C15 Si4 C17 111.2(4) . .
C16 Si4 C17 110.2(5) . .
C15 Si4 C18 109.6(4) . .
C16 Si4 C18 109.6(5) . .
C17 Si4 C18 107.7(5) . .
Si4 C16 H16A 109.5 . .
Si4 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
Si4 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
Si4 C17 H17A 109.5 . .
Si4 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
Si4 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
Si4 C18 H18A 109.5 . .
Si4 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
Si4 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C31 Mn1 C13 116.2(3) . .
C31 Mn1 C23 129.7(3) . .
C13 Mn1 C23 114.1(3) . .
C31 Mn1 C22 117.7(3) . .
C13 Mn1 C22 112.8(3) . .
C23 Mn1 C22 35.0(2) . .
C31 Mn1 C24 106.6(3) . .
C13 Mn1 C24 130.3(2) . .
C23 Mn1 C24 33.4(2) . .
C22 Mn1 C24 63.0(2) . .
C22 Si5 C19 112.4(3) . .
C22 Si5 C20 114.7(4) . .
C19 Si5 C20 104.8(4) . .
C22 Si5 C21 109.5(3) . .
C19 Si5 C21 108.4(4) . .
C20 Si5 C21 106.6(4) . .
Si5 C19 H19A 109.5 . .
Si5 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
Si5 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
Si5 C20 H20A 109.5 . .
Si5 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
Si5 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
Si5 C21 H21A 109.5 . .
Si5 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
Si5 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C23 C22 Si5 125.7(5) . .
C23 C22 Mn1 70.8(4) . .
Si5 C22 Mn1 120.1(4) . .
C23 C22 H22A 103(5) . .
Si5 C22 H22A 127(4) . .
Mn1 C22 H22A 93(4) . .
C24 C23 C22 129.1(6) . .
C24 C23 Mn1 78.6(4) . .
C22 C23 Mn1 74.1(4) . .
C24 C23 H23A 112(4) . .
C22 C23 H23A 118(4) . .
Mn1 C23 H23A 117(5) . .
C23 C24 Si6 127.2(5) . .
C23 C24 Mn1 68.0(4) . .
Si6 C24 Mn1 133.7(4) . .
C23 C24 H24A 114(4) . .
Si6 C24 H24A 116(4) . .
Mn1 C24 H24A 84(4) . .
C24 Si6 C26 107.7(4) . .
C24 Si6 C25 109.8(4) . .
C26 Si6 C25 111.2(4) . .
C24 Si6 C27 114.0(4) . .
C26 Si6 C27 106.4(4) . .
C25 Si6 C27 107.7(4) . .
Si6 C25 H25A 109.5 . .
Si6 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
Si6 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
Si6 C26 H26A 109.5 . .
Si6 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
Si6 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
Si6 C27 H27A 109.5 . .
Si6 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
Si6 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C5 K2 C4 27.6(2) 1_455 1_455
C5 K2 C33 135.2(2) 1_455 .
C4 K2 C33 111.5(2) 1_455 .
C5 K2 C6 26.3(2) 1_455 1_455
C4 K2 C6 49.18(19) 1_455 1_455
C33 K2 C6 160.6(2) . 1_455
C5 K2 C32 157.3(2) 1_455 .
C4 K2 C32 136.06(18) 1_455 .
C33 K2 C32 24.58(18) . .
C6 K2 C32 174.48(19) 1_455 .
C5 K2 C21 93.2(2) 1_455 1_455
C4 K2 C21 90.5(2) 1_455 1_455
C33 K2 C21 109.2(2) . 1_455
C6 K2 C21 75.8(2) 1_455 1_455
C32 K2 C21 104.57(18) . 1_455
C5 K2 C31 150.3(2) 1_455 .
C4 K2 C31 149.42(19) 1_455 .
C33 K2 C31 45.92(18) . .
C6 K2 C31 149.99(18) 1_455 .
C32 K2 C31 24.93(16) . .
C21 K2 C31 114.91(19) 1_455 .
C5 K2 H31A 135.6(7) 1_455 .
C4 K2 H31A 141.7(11) 1_455 .
C33 K2 H31A 54.5(11) . .
C6 K2 H31A 137.9(9) 1_455 .
C32 K2 H31A 37.8(8) . .
C21 K2 H31A 127.1(10) 1_455 .
C31 K2 H31A 14.9(7) . .
C29 Si7 C30 111.0(4) . .
C29 Si7 C31 111.6(4) . .
C30 Si7 C31 109.6(4) . .
C29 Si7 C28 107.0(4) . .
C30 Si7 C28 104.6(5) . .
C31 Si7 C28 112.7(4) . .
Si7 C28 H28A 109.5 . .
Si7 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
Si7 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
Si7 C29 H29A 109.5 . .
Si7 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
Si7 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
Si7 C30 H30A 109.5 . .
Si7 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
Si7 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C32 C31 Si7 116.4(5) . .
C32 C31 Mn1 105.0(4) . .
Si7 C31 Mn1 115.5(3) . .
C32 C31 K2 69.2(4) . .
Si7 C31 K2 94.9(2) . .
Mn1 C31 K2 147.0(3) . .
C32 C31 H31A 112(4) . .
Si7 C31 H31A 102(4) . .
Mn1 C31 H31A 106(4) . .
K2 C31 H31A 52(4) . .
C33 C32 C31 130.6(6) . .
C33 C32 K2 67.7(4) . .
C31 C32 K2 85.8(4) . .
C33 C32 H32A 109(4) . .
C31 C32 H32A 120(4) . .
K2 C32 H32A 125(4) . .
C32 C33 Si8 127.7(6) . .
C32 C33 K2 87.7(4) . .
Si8 C33 K2 111.9(3) . .
C32 C33 H33A 118(5) . .
Si8 C33 H33A 112(5) . .
K2 C33 H33A 86(4) . .
C33 Si8 C35 111.1(4) . .
C33 Si8 C36 109.9(4) . .
C35 Si8 C36 110.1(4) . .
C33 Si8 C34 108.3(4) . .
C35 Si8 C34 108.3(5) . .
C36 Si8 C34 109.1(5) . .
Si8 C34 H34A 109.5 . .
Si8 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
Si8 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
Si8 C35 H35A 109.5 . .
Si8 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
Si8 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
Si8 C36 H36A 109.5 . .
Si8 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
Si8 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C41 K3 C42 27.4(2) . .
C41 K3 C51 123.8(2) . .
C42 K3 C51 97.9(2) . .
C41 K3 C40 26.66(18) . .
C42 K3 C40 49.3(2) . .
C51 K3 C40 129.3(2) . .
C41 K3 C50 126.7(2) . .
C42 K3 C50 107.8(2) . .
C51 K3 C50 25.32(18) . .
C40 K3 C50 118.3(2) . .
C41 K3 C57 78.9(2) . 1_565
C42 K3 C57 88.4(2) . 1_565
C51 K3 C57 129.2(2) . 1_565
C40 K3 C57 92.2(2) . 1_565
C50 K3 C57 149.3(2) . 1_565
C41 K3 C49 106.6(2) . .
C42 K3 C49 96.2(2) . .
C51 K3 C49 47.08(19) . .
C40 K3 C49 93.2(2) . .
C50 K3 C49 25.68(17) . .
C57 K3 C49 174.4(2) 1_565 .
C41 K3 H42A 39.3(10) . .
C42 K3 H42A 17.9(5) . .
C51 K3 H42A 84.6(11) . .
C40 K3 H42A 52.8(14) . .
C50 K3 H42A 90.7(7) . .
C57 K3 H42A 106.2(6) 1_565 .
C49 K3 H42A 78.3(5) . .
C41 K3 H51A 105.6(5) . .
C42 K3 H51A 79.6(5) . .
C51 K3 H51A 18.3(4) . .
C40 K3 H51A 114.4(9) . .
C50 K3 H51A 36.1(10) . .
C57 K3 H51A 129.2(14) 1_565 .
C49 K3 H51A 49.1(14) . .
H42A K3 H51A 66.5(12) . .
C40 Si9 C38 111.0(4) . .
C40 Si9 C39 111.1(4) . .
C38 Si9 C39 108.5(5) . .
C40 Si9 C37 111.9(4) . .
C38 Si9 C37 108.4(5) . .
C39 Si9 C37 105.8(5) . .
Si9 C37 H37A 109.5 . .
Si9 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
Si9 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
Si9 C38 H38A 109.5 . .
Si9 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
Si9 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
Si9 C39 H39A 109.5 . .
Si9 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
Si9 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C41 C40 Si9 124.1(6) . .
C41 C40 K4 74.6(4) . 1_655
Si9 C40 K4 111.3(3) . 1_655
C41 C40 K3 71.7(4) . .
Si9 C40 K3 121.3(3) . .
K4 C40 K3 127.0(2) 1_655 .
C41 C40 H40A 125(5) . .
Si9 C40 H40A 111(5) . .
K4 C40 H40A 87(4) 1_655 .
K3 C40 H40A 80(4) . .
C40 C41 C42 128.6(7) . .
C40 C41 K4 77.9(4) . 1_655
C42 C41 K4 84.5(4) . 1_655
C40 C41 K3 81.6(4) . .
C42 C41 K3 76.9(4) . .
K4 C41 K3 133.9(3) 1_655 .
C40 C41 H41A 113(4) . .
C42 C41 H41A 118(4) . .
K4 C41 H41A 105(4) 1_655 .
K3 C41 H41A 121(4) . .
C41 C42 Si10 126.9(6) . .
C41 C42 K3 75.7(4) . .
Si10 C42 K3 115.1(3) . .
C41 C42 K4 68.8(4) . 1_655
Si10 C42 K4 119.5(4) . 1_655
K3 C42 K4 125.2(3) . 1_655
C41 C42 H42A 118(5) . .
Si10 C42 H42A 115(5) . .
K3 C42 H42A 86(4) . .
K4 C42 H42A 75(5) 1_655 .
C42 Si10 C45 111.5(3) . .
C42 Si10 C44 113.6(4) . .
C45 Si10 C44 108.8(4) . .
C42 Si10 C43 108.5(4) . .
C45 Si10 C43 108.7(4) . .
C44 Si10 C43 105.5(4) . .
Si10 C43 H43A 109.5 . .
Si10 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
Si10 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
Si10 C44 H44A 109.5 . .
Si10 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
Si10 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
Si10 C45 H45A 109.5 . .
Si10 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
Si10 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C49 Si11 C46 109.0(4) . .
C49 Si11 C48 114.2(4) . .
C46 Si11 C48 105.4(4) . .
C49 Si11 C47 111.0(3) . .
C46 Si11 C47 112.3(4) . .
C48 Si11 C47 104.8(4) . .
Si11 C46 H46A 109.5 . .
Si11 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
Si11 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
Si11 C47 H47A 109.5 . .
Si11 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
Si11 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
Si11 C48 H48A 109.5 . .
Si11 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
Si11 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C50 C49 Si11 120.3(5) . .
C50 C49 Mn2 101.1(5) . .
Si11 C49 Mn2 109.7(3) . .
C50 C49 K3 70.2(4) . .
Si11 C49 K3 89.9(3) . .
Mn2 C49 K3 160.1(3) . .
C50 C49 H49A 103(4) . .
Si11 C49 H49A 123(4) . .
Mn2 C49 H49A 95(5) . .
K3 C49 H49A 71(5) . .
C51 C50 C49 131.2(6) . .
C51 C50 K3 73.5(4) . .
C49 C50 K3 84.1(4) . .
C51 C50 H50A 107(4) . .
C49 C50 H50A 121(4) . .
K3 C50 H50A 124(4) . .
C50 C51 Si12 128.3(6) . .
C50 C51 K3 81.2(4) . .
Si12 C51 K3 119.3(3) . .
C50 C51 H51A 110(4) . .
Si12 C51 H51A 120(4) . .
K3 C51 H51A 80(4) . .
C51 Si12 C54 110.8(5) . .
C51 Si12 C52 111.7(4) . .
C54 Si12 C52 105.9(5) . .
C51 Si12 C53 109.5(4) . .
C54 Si12 C53 108.3(6) . .
C52 Si12 C53 110.6(5) . .
Si12 C52 H52A 109.5 . .
Si12 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
Si12 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
Si12 C53 H53A 109.5 . .
Si12 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
Si12 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
Si12 C54 H54A 109.5 . .
Si12 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
Si12 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C67 Mn2 C49 114.8(3) . .
C67 Mn2 C59 129.8(3) . .
C49 Mn2 C59 115.4(3) . .
C67 Mn2 C58 118.1(3) . .
C49 Mn2 C58 113.4(3) . .
C59 Mn2 C58 34.9(2) . .
C67 Mn2 C60 106.5(3) . .
C49 Mn2 C60 132.0(3) . .
C59 Mn2 C60 33.0(2) . .
C58 Mn2 C60 62.4(2) . .
C58 Si13 C56 111.3(3) . .
C58 Si13 C55 111.4(3) . .
C56 Si13 C55 108.3(4) . .
C58 Si13 C57 114.5(4) . .
C56 Si13 C57 104.0(4) . .
C55 Si13 C57 106.9(4) . .
Si13 C55 H55A 109.5 . .
Si13 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
Si13 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
Si13 C56 H56A 109.5 . .
Si13 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
Si13 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
Si13 C57 H57A 109.5 . .
Si13 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
Si13 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C59 C58 Si13 124.5(5) . .
C59 C58 Mn2 71.0(4) . .
Si13 C58 Mn2 120.1(3) . .
C59 C58 H58A 116(4) . .
Si13 C58 H58A 117(4) . .
Mn2 C58 H58A 92(4) . .
C60 C59 C58 128.6(6) . .
C60 C59 Mn2 78.6(4) . .
C58 C59 Mn2 74.1(4) . .
C60 C59 H59A 115(4) . .
C58 C59 H59A 116(4) . .
Mn2 C59 H59A 116(5) . .
C59 C60 Si14 126.4(5) . .
C59 C60 Mn2 68.4(4) . .
Si14 C60 Mn2 133.5(4) . .
C59 C60 H60A 113(4) . .
Si14 C60 H60A 119(4) . .
Mn2 C60 H60A 78(5) . .
C60 Si14 C61 109.2(3) . .
C60 Si14 C62 108.1(4) . .
C61 Si14 C62 111.7(4) . .
C60 Si14 C63 114.4(4) . .
C61 Si14 C63 107.7(4) . .
C62 Si14 C63 105.8(4) . .
Si14 C61 H61A 109.5 . .
Si14 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
Si14 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
Si14 C62 H62A 109.5 . .
Si14 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
Si14 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
Si14 C63 H63A 109.5 . .
Si14 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
Si14 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C41 K4 C40 27.50(18) 1_455 1_455
C41 K4 C69 136.1(2) 1_455 .
C40 K4 C69 112.3(2) 1_455 .
C41 K4 C42 26.7(2) 1_455 1_455
C40 K4 C42 49.07(19) 1_455 1_455
C69 K4 C42 161.3(2) . 1_455
C41 K4 C68 158.5(2) 1_455 .
C40 K4 C68 137.14(18) 1_455 .
C69 K4 C68 24.89(18) . .
C42 K4 C68 173.78(19) 1_455 .
C41 K4 C55 93.1(2) 1_455 1_455
C40 K4 C55 89.5(2) 1_455 1_455
C69 K4 C55 107.1(2) . 1_455
C42 K4 C55 75.5(2) 1_455 1_455
C68 K4 C55 103.36(19) . 1_455
C41 K4 C67 150.3(2) 1_455 .
C40 K4 C67 150.6(2) 1_455 .
C69 K4 C67 46.99(17) . .
C42 K4 C67 149.40(18) 1_455 .
C68 K4 C67 25.70(15) . .
C55 K4 C67 114.86(18) 1_455 .
C41 K4 H69A 122.5(9) 1_455 .
C40 K4 H69A 103.6(12) 1_455 .
C69 K4 H69A 18.4(4) . .
C42 K4 H69A 149.2(9) 1_455 .
C68 K4 H69A 36.1(9) . .
C55 K4 H69A 124.4(7) 1_455 .
C67 K4 H69A 49.7(13) . .
C67 Si15 C66 110.2(3) . .
C67 Si15 C64 113.7(4) . .
C66 Si15 C64 104.9(4) . .
C67 Si15 C65 112.0(4) . .
C66 Si15 C65 110.2(4) . .
C64 Si15 C65 105.6(5) . .
Si15 C64 H64A 109.5 . .
Si15 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
Si15 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
Si15 C65 H65A 109.5 . .
Si15 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
Si15 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
Si15 C66 H66A 109.5 . .
Si15 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
Si15 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C68 C67 Si15 115.4(5) . .
C68 C67 Mn2 104.7(4) . .
Si15 C67 Mn2 115.1(3) . .
C68 C67 K4 70.9(4) . .
Si15 C67 K4 95.0(2) . .
Mn2 C67 K4 147.2(3) . .
C68 C67 H67A 113(4) . .
Si15 C67 H67A 120(4) . .
Mn2 C67 H67A 83(4) . .
K4 C67 H67A 70(4) . .
C69 C68 C67 129.7(7) . .
C69 C68 K4 67.9(4) . .
C67 C68 K4 83.4(4) . .
C69 C68 H68A 117(4) . .
C67 C68 H68A 113(4) . .
K4 C68 H68A 118(4) . .
C68 C69 Si16 127.4(6) . .
C68 C69 K4 87.2(4) . .
Si16 C69 K4 114.3(3) . .
C68 C69 H69A 112(4) . .
Si16 C69 H69A 119(4) . .
K4 C69 H69A 77(4) . .
C69 Si16 C71 108.7(4) . .
C69 Si16 C72 108.7(4) . .
C71 Si16 C72 109.2(5) . .
C69 Si16 C70 111.5(4) . .
C71 Si16 C70 111.2(4) . .
C72 Si16 C70 107.5(5) . .
Si16 C70 H70A 109.5 . .
Si16 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
Si16 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
Si16 C71 H71A 109.5 . .
Si16 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
Si16 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
Si16 C72 H72A 109.5 . .
Si16 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
Si16 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 C5 2.995(8) .
K1 C6 3.027(8) .
K1 C15 3.060(8) .
K1 C14 3.146(7) .
K1 C4 3.153(7) .
K1 C20 3.289(9) 1_565
K1 C13 3.339(7) .
K1 H6A 2.88(7) .
K1 H15A 2.74(7) .
Si1 C4 1.835(8) .
Si1 C2 1.866(10) .
Si1 C3 1.869(9) .
Si1 C1 1.876(9) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 C5 1.415(10) .
C4 K2 2.998(8) 1_655
C4 H4A 0.96(2) .
C5 C6 1.375(10) .
C5 K2 2.921(7) 1_655
C5 H5A 0.96(2) .
C6 Si2 1.828(7) .
C6 K2 3.077(7) 1_655
C6 H6A 0.96(2) .
Si2 C7 1.860(9) .
Si2 C9 1.872(10) .
Si2 C8 1.873(8) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
Si3 C10 1.838(8) .
Si3 C11 1.857(8) .
Si3 C13 1.866(7) .
Si3 C12 1.882(8) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.469(9) .
C13 Mn1 2.232(7) .
C13 H13A 0.94(2) .
C14 C15 1.341(10) .
C14 H14A 0.97(2) .
C15 Si4 1.847(7) .
C15 H15A 0.96(2) .
Si4 C16 1.866(10) .
Si4 C17 1.876(9) .
Si4 C18 1.884(9) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
Mn1 C31 2.197(6) .
Mn1 C23 2.342(7) .
Mn1 C22 2.385(7) .
Mn1 C24 2.477(7) .
Si5 C22 1.822(8) .
Si5 C19 1.861(8) .
Si5 C20 1.887(8) .
Si5 C21 1.890(8) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.423(10) .
C22 H22A 0.95(2) .
C23 C24 1.390(10) .
C23 H23A 0.97(2) .
C24 Si6 1.854(7) .
C24 H24A 0.95(2) .
Si6 C26 1.867(9) .
Si6 C25 1.873(9) .
Si6 C27 1.880(9) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
K2 C5 2.921(7) 1_455
K2 C4 2.998(8) 1_455
K2 C33 3.008(7) .
K2 C6 3.077(7) 1_455
K2 C32 3.249(7) .
K2 C21 3.392(8) 1_455
K2 C31 3.466(7) .
K2 H31A 2.97(7) .
Si7 C29 1.840(8) .
Si7 C30 1.848(9) .
Si7 C31 1.858(7) .
Si7 C28 1.863(8) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 C32 1.465(9) .
C31 H31A 0.97(2) .
C32 C33 1.353(10) .
C32 H32A 0.97(2) .
C33 Si8 1.831(8) .
C33 H33A 0.96(2) .
Si8 C35 1.834(9) .
Si8 C36 1.873(9) .
Si8 C34 1.894(9) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
K3 C41 2.985(7) .
K3 C42 3.000(8) .
K3 C51 3.031(8) .
K3 C40 3.109(8) .
K3 C50 3.124(7) .
K3 C57 3.257(9) 1_565
K3 C49 3.303(7) .
K3 H42A 3.09(7) .
K3 H51A 3.01(7) .
Si9 C40 1.816(7) .
Si9 C38 1.841(10) .
Si9 C39 1.891(11) .
Si9 C37 1.902(9) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 C41 1.410(9) .
C40 K4 2.986(8) 1_655
C40 H40A 0.96(2) .
C41 C42 1.419(10) .
C41 K4 2.944(7) 1_655
C41 H41A 0.96(2) .
C42 Si10 1.822(8) .
C42 K4 3.144(8) 1_655
C42 H42A 0.95(2) .
Si10 C45 1.872(8) .
Si10 C44 1.881(8) .
Si10 C43 1.882(8) .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
Si11 C49 1.854(7) .
Si11 C46 1.858(8) .
Si11 C48 1.878(8) .
Si11 C47 1.883(7) .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 C50 1.439(10) .
C49 Mn2 2.235(7) .
C49 H49A 0.96(2) .
C50 C51 1.352(9) .
C50 H50A 0.962(19) .
C51 Si12 1.821(8) .
C51 H51A 0.96(2) .
Si12 C54 1.857(12) .
Si12 C52 1.877(9) .
Si12 C53 1.882(10) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
Mn2 C67 2.199(6) .
Mn2 C59 2.341(7) .
Mn2 C58 2.381(7) .
Mn2 C60 2.467(7) .
Si13 C58 1.830(7) .
Si13 C56 1.882(8) .
Si13 C55 1.884(8) .
Si13 C57 1.887(8) .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 C59 1.417(9) .
C58 H58A 0.95(2) .
C59 C60 1.373(10) .
C59 H59A 0.94(2) .
C60 Si14 1.865(7) .
C60 H60A 0.97(2) .
Si14 C61 1.867(9) .
Si14 C62 1.879(9) .
Si14 C63 1.881(8) .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
K4 C41 2.944(7) 1_455
K4 C40 2.986(8) 1_455
K4 C69 3.013(7) .
K4 C42 3.144(8) 1_455
K4 C68 3.248(7) .
K4 C55 3.397(8) 1_455
K4 C67 3.414(7) .
K4 H69A 2.94(7) .
Si15 C67 1.831(7) .
Si15 C66 1.870(8) .
Si15 C64 1.893(8) .
Si15 C65 1.895(10) .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C67 C68 1.490(8) .
C67 H67A 0.96(2) .
C68 C69 1.369(10) .
C68 H68A 0.96(2) .
C69 Si16 1.838(7) .
C69 H69A 0.95(2) .
Si16 C71 1.864(8) .
Si16 C72 1.890(8) .
Si16 C70 1.908(9) .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
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
C2 Si1 C4 C5 52.7(8) . .
C3 Si1 C4 C5 -66.5(8) . .
C1 Si1 C4 C5 174.2(7) . .
C2 Si1 C4 K2 138.1(5) . 1_655
C3 Si1 C4 K2 18.9(5) . 1_655
C1 Si1 C4 K2 -100.4(4) . 1_655
C2 Si1 C4 K1 -33.2(6) . .
C3 Si1 C4 K1 -152.3(4) . .
C1 Si1 C4 K1 88.3(5) . .
C6 K1 C4 C5 25.6(4) . .
C15 K1 C4 C5 87.6(5) . .
C14 K1 C4 C5 114.1(4) . .
C20 K1 C4 C5 -57.1(5) 1_565 .
C13 K1 C4 C5 119.2(4) . .
C5 K1 C4 Si1 119.7(6) . .
C6 K1 C4 Si1 145.3(5) . .
C15 K1 C4 Si1 -152.7(3) . .
C14 K1 C4 Si1 -126.1(4) . .
C20 K1 C4 Si1 62.7(4) 1_565 .
C13 K1 C4 Si1 -121.1(4) . .
C5 K1 C4 K2 -50.3(4) . 1_655
C6 K1 C4 K2 -24.7(3) . 1_655
C15 K1 C4 K2 37.2(4) . 1_655
C14 K1 C4 K2 63.8(3) . 1_655
C20 K1 C4 K2 -107.4(3) 1_565 1_655
C13 K1 C4 K2 68.8(3) . 1_655
Si1 C4 C5 C6 179.0(6) . .
K2 C4 C5 C6 71.5(8) 1_655 .
K1 C4 C5 C6 -68.0(8) . .
Si1 C4 C5 K2 107.5(6) . 1_655
K1 C4 C5 K2 -139.5(2) . 1_655
Si1 C4 C5 K1 -113.0(5) . .
K2 C4 C5 K1 139.5(2) 1_655 .
C15 K1 C5 C6 23.2(5) . .
C14 K1 C5 C6 52.7(5) . .
C4 K1 C5 C6 133.5(7) . .
C20 K1 C5 C6 -104.7(4) 1_565 .
C13 K1 C5 C6 69.8(4) . .
C6 K1 C5 C4 -133.5(7) . .
C15 K1 C5 C4 -110.3(4) . .
C14 K1 C5 C4 -80.8(5) . .
C20 K1 C5 C4 121.8(5) 1_565 .
C13 K1 C5 C4 -63.7(5) . .
C6 K1 C5 K2 -66.9(5) . 1_655
C15 K1 C5 K2 -43.8(5) . 1_655
C14 K1 C5 K2 -14.2(5) . 1_655
C4 K1 C5 K2 66.6(5) . 1_655
C20 K1 C5 K2 -171.6(4) 1_565 1_655
C13 K1 C5 K2 2.9(4) . 1_655
C4 C5 C6 Si2 177.2(6) . .
K2 C5 C6 Si2 -113.1(6) 1_655 .
K1 C5 C6 Si2 107.1(6) . .
C4 C5 C6 K1 70.1(8) . .
K2 C5 C6 K1 139.9(2) 1_655 .
C4 C5 C6 K2 -69.7(8) . 1_655
K1 C5 C6 K2 -139.9(2) . 1_655
C15 K1 C6 C5 -160.2(4) . .
C14 K1 C6 C5 -136.6(4) . .
C4 K1 C6 C5 -25.7(4) . .
C20 K1 C6 C5 72.5(4) 1_565 .
C13 K1 C6 C5 -113.8(4) . .
C5 K1 C6 Si2 -125.0(6) . .
C15 K1 C6 Si2 74.7(4) . .
C14 K1 C6 Si2 98.3(4) . .
C4 K1 C6 Si2 -150.7(5) . .
C20 K1 C6 Si2 -52.5(4) 1_565 .
C13 K1 C6 Si2 121.2(3) . .
C5 K1 C6 K2 50.3(4) . 1_655
C15 K1 C6 K2 -109.9(3) . 1_655
C14 K1 C6 K2 -86.3(3) . 1_655
C4 K1 C6 K2 24.7(3) . 1_655
C20 K1 C6 K2 122.9(3) 1_565 1_655
C13 K1 C6 K2 -63.4(3) . 1_655
C5 C6 Si2 C7 -3.6(8) . .
K1 C6 Si2 C7 84.8(4) . .
K2 C6 Si2 C7 -91.0(4) 1_655 .
C5 C6 Si2 C9 117.6(8) . .
K1 C6 Si2 C9 -154.0(4) . .
K2 C6 Si2 C9 30.2(6) 1_655 .
C5 C6 Si2 C8 -123.5(8) . .
K1 C6 Si2 C8 -35.1(5) . .
K2 C6 Si2 C8 149.1(5) 1_655 .
C10 Si3 C13 C14 58.2(7) . .
C11 Si3 C13 C14 -176.7(5) . .
C12 Si3 C13 C14 -60.1(6) . .
C10 Si3 C13 Mn1 -55.3(5) . .
C11 Si3 C13 Mn1 69.8(4) . .
C12 Si3 C13 Mn1 -173.6(3) . .
C10 Si3 C13 K1 124.8(3) . .
C11 Si3 C13 K1 -110.1(3) . .
C12 Si3 C13 K1 6.5(4) . .
C5 K1 C13 C14 -146.1(4) . .
C6 K1 C13 C14 -121.4(4) . .
C15 K1 C13 C14 -25.1(4) . .
C4 K1 C13 C14 -169.7(4) . .
C5 K1 C13 Si3 93.9(3) . .
C6 K1 C13 Si3 118.6(3) . .
C15 K1 C13 Si3 -145.1(4) . .
C14 K1 C13 Si3 -120.0(5) . .
C4 K1 C13 Si3 70.3(3) . .
C5 K1 C13 Mn1 -85.7(9) . .
C6 K1 C13 Mn1 -61.0(9) . .
C15 K1 C13 Mn1 35.3(8) . .
C14 K1 C13 Mn1 60.4(8) . .
C4 K1 C13 Mn1 -109.2(9) . .
Si3 C13 C14 C15 142.4(7) . .
Mn1 C13 C14 C15 -98.6(8) . .
K1 C13 C14 C15 64.2(7) . .
Si3 C13 C14 K1 78.2(4) . .
Mn1 C13 C14 K1 -162.8(3) . .
C5 K1 C14 C15 -92.3(5) . .
C6 K1 C14 C15 -70.7(4) . .
C4 K1 C14 C15 -121.6(4) . .
C20 K1 C14 C15 41.6(6) 1_565 .
C13 K1 C14 C15 -133.1(6) . .
C5 K1 C14 C13 40.9(5) . .
C6 K1 C14 C13 62.4(4) . .
C15 K1 C14 C13 133.1(6) . .
C4 K1 C14 C13 11.5(5) . .
C20 K1 C14 C13 174.7(4) 1_565 .
C13 C14 C15 Si4 173.8(6) . .
K1 C14 C15 Si4 -117.4(6) . .
C13 C14 C15 K1 -68.8(7) . .
C5 K1 C15 C14 103.9(4) . .
C6 K1 C15 C14 114.0(4) . .
C4 K1 C15 C14 72.5(5) . .
C20 K1 C15 C14 -154.0(4) 1_565 .
C13 K1 C15 C14 26.2(4) . .
C5 K1 C15 Si4 -128.4(3) . .
C6 K1 C15 Si4 -118.2(3) . .
C14 K1 C15 Si4 127.7(6) . .
C4 K1 C15 Si4 -159.8(3) . .
C20 K1 C15 Si4 -26.2(5) 1_565 .
C13 K1 C15 Si4 153.9(5) . .
C14 C15 Si4 C16 -16.9(9) . .
K1 C15 Si4 C16 -116.9(5) . .
C14 C15 Si4 C17 104.4(8) . .
K1 C15 Si4 C17 4.4(5) . .
C14 C15 Si4 C18 -136.5(8) . .
K1 C15 Si4 C18 123.5(5) . .
C14 C13 Mn1 C31 -23.3(5) . .
Si3 C13 Mn1 C31 101.2(3) . .
K1 C13 Mn1 C31 -79.2(9) . .
C14 C13 Mn1 C23 155.2(4) . .
Si3 C13 Mn1 C23 -80.3(4) . .
K1 C13 Mn1 C23 99.3(9) . .
C14 C13 Mn1 C22 116.9(4) . .
Si3 C13 Mn1 C22 -118.6(3) . .
K1 C13 Mn1 C22 61.0(9) . .
C14 C13 Mn1 C24 -169.9(4) . .
Si3 C13 Mn1 C24 -45.4(5) . .
K1 C13 Mn1 C24 134.2(8) . .
C19 Si5 C22 C23 -137.4(7) . .
C20 Si5 C22 C23 103.0(7) . .
C21 Si5 C22 C23 -16.8(8) . .
C19 Si5 C22 Mn1 -50.3(5) . .
C20 Si5 C22 Mn1 -169.9(4) . .
C21 Si5 C22 Mn1 70.3(4) . .
C31 Mn1 C22 C23 -120.6(4) . .
C13 Mn1 C22 C23 99.8(5) . .
C24 Mn1 C22 C23 -25.1(4) . .
C31 Mn1 C22 Si5 118.6(4) . .
C13 Mn1 C22 Si5 -21.0(5) . .
C23 Mn1 C22 Si5 -120.8(6) . .
C24 Mn1 C22 Si5 -146.0(5) . .
Si5 C22 C23 C24 174.1(6) . .
Mn1 C22 C23 C24 60.3(8) . .
Si5 C22 C23 Mn1 113.8(6) . .
C31 Mn1 C23 C24 -54.2(5) . .
C13 Mn1 C23 C24 127.5(4) . .
C22 Mn1 C23 C24 -136.5(6) . .
C31 Mn1 C23 C22 82.3(5) . .
C13 Mn1 C23 C22 -95.9(5) . .
C24 Mn1 C23 C22 136.5(6) . .
C22 C23 C24 Si6 172.6(6) . .
Mn1 C23 C24 Si6 -128.9(6) . .
C22 C23 C24 Mn1 -58.5(7) . .
C31 Mn1 C24 C23 139.4(4) . .
C13 Mn1 C24 C23 -71.7(5) . .
C22 Mn1 C24 C23 26.3(4) . .
C31 Mn1 C24 Si6 -99.6(5) . .
C13 Mn1 C24 Si6 49.4(6) . .
C23 Mn1 C24 Si6 121.0(7) . .
C22 Mn1 C24 Si6 147.3(6) . .
C23 C24 Si6 C26 -133.4(7) . .
Mn1 C24 Si6 C26 132.4(5) . .
C23 C24 Si6 C25 -12.1(8) . .
Mn1 C24 Si6 C25 -106.4(5) . .
C23 C24 Si6 C27 108.8(7) . .
Mn1 C24 Si6 C27 14.6(7) . .
C29 Si7 C31 C32 -173.3(5) . .
C30 Si7 C31 C32 -50.0(6) . .
C28 Si7 C31 C32 66.1(6) . .
C29 Si7 C31 Mn1 -49.5(5) . .
C30 Si7 C31 Mn1 73.8(5) . .
C28 Si7 C31 Mn1 -170.1(4) . .
C29 Si7 C31 K2 117.4(3) . .
C30 Si7 C31 K2 -119.2(3) . .
C28 Si7 C31 K2 -3.1(4) . .
C13 Mn1 C31 C32 -104.8(5) . .
C23 Mn1 C31 C32 77.0(5) . .
C22 Mn1 C31 C32 116.9(4) . .
C24 Mn1 C31 C32 49.2(5) . .
C13 Mn1 C31 Si7 125.6(4) . .
C23 Mn1 C31 Si7 -52.6(5) . .
C22 Mn1 C31 Si7 -12.7(5) . .
C24 Mn1 C31 Si7 -80.4(4) . .
C13 Mn1 C31 K2 -30.0(6) . .
C23 Mn1 C31 K2 151.8(4) . .
C22 Mn1 C31 K2 -168.2(4) . .
C24 Mn1 C31 K2 124.0(5) . .
C5 K2 C31 C32 130.3(5) 1_455 .
C4 K2 C31 C32 73.6(5) 1_455 .
C33 K2 C31 C32 23.1(4) . .
C6 K2 C31 C32 -175.2(4) 1_455 .
C21 K2 C31 C32 -70.1(4) 1_455 .
C5 K2 C31 Si7 -113.3(4) 1_455 .
C4 K2 C31 Si7 -170.0(3) 1_455 .
C33 K2 C31 Si7 139.4(4) . .
C6 K2 C31 Si7 -58.9(5) 1_455 .
C32 K2 C31 Si7 116.4(5) . .
C21 K2 C31 Si7 46.3(3) 1_455 .
C5 K2 C31 Mn1 44.7(7) 1_455 .
C4 K2 C31 Mn1 -12.1(7) 1_455 .
C33 K2 C31 Mn1 -62.6(5) . .
C6 K2 C31 Mn1 99.1(6) 1_455 .
C32 K2 C31 Mn1 -85.7(6) . .
C21 K2 C31 Mn1 -155.7(5) 1_455 .
Si7 C31 C32 C33 -140.8(7) . .
Mn1 C31 C32 C33 90.2(8) . .
K2 C31 C32 C33 -55.6(7) . .
Si7 C31 C32 K2 -85.1(4) . .
Mn1 C31 C32 K2 145.8(3) . .
C5 K2 C32 C33 36.2(8) 1_455 .
C4 K2 C32 C33 2.1(6) 1_455 .
C21 K2 C32 C33 -104.4(5) 1_455 .
C31 K2 C32 C33 137.4(6) . .
C5 K2 C32 C31 -101.2(6) 1_455 .
C4 K2 C32 C31 -135.3(4) 1_455 .
C33 K2 C32 C31 -137.4(6) . .
C21 K2 C32 C31 118.2(4) 1_455 .
C31 C32 C33 Si8 179.1(6) . .
K2 C32 C33 Si8 116.2(7) . .
C31 C32 C33 K2 62.9(7) . .
C5 K2 C33 C32 -161.2(4) 1_455 .
C4 K2 C33 C32 -178.5(4) 1_455 .
C6 K2 C33 C32 -175.1(6) 1_455 .
C21 K2 C33 C32 83.1(5) 1_455 .
C31 K2 C33 C32 -23.4(4) . .
C5 K2 C33 Si8 68.8(5) 1_455 .
C4 K2 C33 Si8 51.5(4) 1_455 .
C6 K2 C33 Si8 54.9(8) 1_455 .
C32 K2 C33 Si8 -130.0(7) . .
C21 K2 C33 Si8 -47.0(4) 1_455 .
C31 K2 C33 Si8 -153.4(5) . .
C32 C33 Si8 C35 18.7(8) . .
K2 C33 Si8 C35 123.6(4) . .
C32 C33 Si8 C36 140.8(7) . .
K2 C33 Si8 C36 -114.3(4) . .
C32 C33 Si8 C34 -100.1(8) . .
K2 C33 Si8 C34 4.8(5) . .
C38 Si9 C40 C41 -173.1(7) . .
C39 Si9 C40 C41 -52.2(8) . .
C37 Si9 C40 C41 65.7(8) . .
C38 Si9 C40 K4 101.5(5) . 1_655
C39 Si9 C40 K4 -137.7(5) . 1_655
C37 Si9 C40 K4 -19.7(5) . 1_655
C38 Si9 C40 K3 -84.8(5) . .
C39 Si9 C40 K3 36.0(6) . .
C37 Si9 C40 K3 153.9(4) . .
C42 K3 C40 C41 -26.4(4) . .
C51 K3 C40 C41 -88.4(5) . .
C50 K3 C40 C41 -116.1(4) . .
C57 K3 C40 C41 59.6(5) 1_565 .
C49 K3 C40 C41 -121.8(4) . .
C41 K3 C40 Si9 -119.4(7) . .
C42 K3 C40 Si9 -145.8(5) . .
C51 K3 C40 Si9 152.2(3) . .
C50 K3 C40 Si9 124.5(4) . .
C57 K3 C40 Si9 -59.8(4) 1_565 .
C49 K3 C40 Si9 118.8(4) . .
C41 K3 C40 K4 53.2(4) . 1_655
C42 K3 C40 K4 26.8(3) . 1_655
C51 K3 C40 K4 -35.2(4) . 1_655
C50 K3 C40 K4 -62.9(4) . 1_655
C57 K3 C40 K4 112.8(3) 1_565 1_655
C49 K3 C40 K4 -68.6(3) . 1_655
Si9 C40 C41 C42 -178.3(6) . .
K4 C40 C41 C42 -72.7(7) 1_655 .
K3 C40 C41 C42 65.7(7) . .
Si9 C40 C41 K4 -105.6(6) . 1_655
K3 C40 C41 K4 138.4(2) . 1_655
Si9 C40 C41 K3 116.0(6) . .
K4 C40 C41 K3 -138.4(2) 1_655 .
C42 K3 C41 C40 133.0(7) . .
C51 K3 C41 C40 111.4(5) . .
C50 K3 C41 C40 80.4(5) . .
C57 K3 C41 C40 -118.6(5) 1_565 .
C49 K3 C41 C40 62.3(5) . .
C51 K3 C41 C42 -21.6(5) . .
C40 K3 C41 C42 -133.0(7) . .
C50 K3 C41 C42 -52.5(5) . .
C57 K3 C41 C42 108.5(4) 1_565 .
C49 K3 C41 C42 -70.7(4) . .
C42 K3 C41 K4 68.8(5) . 1_655
C51 K3 C41 K4 47.2(4) . 1_655
C40 K3 C41 K4 -64.2(4) . 1_655
C50 K3 C41 K4 16.3(4) . 1_655
C57 K3 C41 K4 177.3(4) 1_565 1_655
C49 K3 C41 K4 -1.8(4) . 1_655
C40 C41 C42 Si10 -178.6(6) . .
K4 C41 C42 Si10 111.6(6) 1_655 .
K3 C41 C42 Si10 -110.8(6) . .
C40 C41 C42 K3 -67.8(7) . .
K4 C41 C42 K3 -137.5(2) 1_655 .
C40 C41 C42 K4 69.7(7) . 1_655
K3 C41 C42 K4 137.5(2) . 1_655
C51 K3 C42 C41 162.0(4) . .
C40 K3 C42 C41 25.7(4) . .
C50 K3 C42 C41 138.0(4) . .
C57 K3 C42 C41 -68.6(4) 1_565 .
C49 K3 C42 C41 114.6(4) . .
C41 K3 C42 Si10 124.4(6) . .
C51 K3 C42 Si10 -73.6(4) . .
C40 K3 C42 Si10 150.1(5) . .
C50 K3 C42 Si10 -97.5(4) . .
C57 K3 C42 Si10 55.8(4) 1_565 .
C49 K3 C42 Si10 -121.0(4) . .
C41 K3 C42 K4 -50.4(4) . 1_655
C51 K3 C42 K4 111.6(3) . 1_655
C40 K3 C42 K4 -24.8(3) . 1_655
C50 K3 C42 K4 87.6(3) . 1_655
C57 K3 C42 K4 -119.0(3) 1_565 1_655
C49 K3 C42 K4 64.1(3) . 1_655
C41 C42 Si10 C45 8.7(8) . .
K3 C42 Si10 C45 -81.9(4) . .
K4 C42 Si10 C45 93.2(4) 1_655 .
C41 C42 Si10 C44 -114.7(7) . .
K3 C42 Si10 C44 154.7(4) . .
K4 C42 Si10 C44 -30.1(5) 1_655 .
C41 C42 Si10 C43 128.4(7) . .
K3 C42 Si10 C43 37.8(5) . .
K4 C42 Si10 C43 -147.0(4) 1_655 .
C46 Si11 C49 C50 175.7(6) . .
C48 Si11 C49 C50 58.1(7) . .
C47 Si11 C49 C50 -60.2(6) . .
C46 Si11 C49 Mn2 -67.7(4) . .
C48 Si11 C49 Mn2 174.7(3) . .
C47 Si11 C49 Mn2 56.4(4) . .
C46 Si11 C49 K3 108.9(3) . .
C48 Si11 C49 K3 -8.7(4) . .
C47 Si11 C49 K3 -127.0(3) . .
C41 K3 C49 C50 144.8(4) . .
C42 K3 C49 C50 118.9(4) . .
C51 K3 C49 C50 23.9(4) . .
C40 K3 C49 C50 168.3(4) . .
C41 K3 C49 Si11 -92.6(3) . .
C42 K3 C49 Si11 -118.6(3) . .
C51 K3 C49 Si11 146.4(4) . .
C40 K3 C49 Si11 -69.2(3) . .
C50 K3 C49 Si11 122.5(5) . .
C41 K3 C49 Mn2 77.9(9) . .
C42 K3 C49 Mn2 52.0(9) . .
C51 K3 C49 Mn2 -43.1(8) . .
C40 K3 C49 Mn2 101.4(9) . .
C50 K3 C49 Mn2 -66.9(9) . .
Si11 C49 C50 C51 -139.7(7) . .
Mn2 C49 C50 C51 99.4(8) . .
K3 C49 C50 C51 -62.0(8) . .
Si11 C49 C50 K3 -77.7(4) . .
Mn2 C49 C50 K3 161.4(3) . .
C41 K3 C50 C51 92.7(5) . .
C42 K3 C50 C51 70.1(5) . .
C40 K3 C50 C51 122.9(4) . .
C57 K3 C50 C51 -48.7(6) 1_565 .
C49 K3 C50 C51 136.2(6) . .
C41 K3 C50 C49 -43.5(5) . .
C42 K3 C50 C49 -66.1(4) . .
C51 K3 C50 C49 -136.2(6) . .
C40 K3 C50 C49 -13.3(4) . .
C57 K3 C50 C49 175.2(4) 1_565 .
C49 C50 C51 Si12 -173.1(6) . .
K3 C50 C51 Si12 120.5(7) . .
C49 C50 C51 K3 66.3(8) . .
C41 K3 C51 C50 -105.4(4) . .
C42 K3 C51 C50 -115.3(4) . .
C40 K3 C51 C50 -72.8(5) . .
C57 K3 C51 C50 150.3(4) 1_565 .
C49 K3 C51 C50 -24.2(4) . .
C41 K3 C51 Si12 125.4(3) . .
C42 K3 C51 Si12 115.5(4) . .
C40 K3 C51 Si12 158.0(3) . .
C50 K3 C51 Si12 -129.2(6) . .
C57 K3 C51 Si12 21.1(5) 1_565 .
C49 K3 C51 Si12 -153.4(5) . .
C50 C51 Si12 C54 135.3(8) . .
K3 C51 Si12 C54 -122.1(5) . .
C50 C51 Si12 C52 -106.9(8) . .
K3 C51 Si12 C52 -4.3(5) . .
C50 C51 Si12 C53 15.9(9) . .
K3 C51 Si12 C53 118.5(5) . .
C50 C49 Mn2 C67 25.4(5) . .
Si11 C49 Mn2 C67 -102.8(3) . .
K3 C49 Mn2 C67 87.3(9) . .
C50 C49 Mn2 C59 -153.1(4) . .
Si11 C49 Mn2 C59 78.8(4) . .
K3 C49 Mn2 C59 -91.1(9) . .
C50 C49 Mn2 C58 -114.6(4) . .
Si11 C49 Mn2 C58 117.2(3) . .
K3 C49 Mn2 C58 -52.7(9) . .
C50 C49 Mn2 C60 172.1(4) . .
Si11 C49 Mn2 C60 44.0(5) . .
K3 C49 Mn2 C60 -126.0(8) . .
C56 Si13 C58 C59 138.6(6) . .
C55 Si13 C58 C59 17.6(7) . .
C57 Si13 C58 C59 -103.8(7) . .
C56 Si13 C58 Mn2 52.0(5) . .
C55 Si13 C58 Mn2 -69.0(5) . .
C57 Si13 C58 Mn2 169.6(4) . .
C67 Mn2 C58 C59 120.1(4) . .
C49 Mn2 C58 C59 -101.3(4) . .
C60 Mn2 C58 C59 25.3(4) . .
C67 Mn2 C58 Si13 -120.3(4) . .
C49 Mn2 C58 Si13 18.3(5) . .
C59 Mn2 C58 Si13 119.6(6) . .
C60 Mn2 C58 Si13 144.9(5) . .
Si13 C58 C59 C60 -174.6(6) . .
Mn2 C58 C59 C60 -60.6(7) . .
Si13 C58 C59 Mn2 -114.0(5) . .
C67 Mn2 C59 C60 52.9(5) . .
C49 Mn2 C59 C60 -128.9(4) . .
C58 Mn2 C59 C60 136.0(6) . .
C67 Mn2 C59 C58 -83.1(5) . .
C49 Mn2 C59 C58 95.1(4) . .
C60 Mn2 C59 C58 -136.0(6) . .
C58 C59 C60 Si14 -172.4(6) . .
Mn2 C59 C60 Si14 128.9(6) . .
C58 C59 C60 Mn2 58.8(7) . .
C67 Mn2 C60 C59 -140.2(4) . .
C49 Mn2 C60 C59 71.0(5) . .
C58 Mn2 C60 C59 -26.6(4) . .
C67 Mn2 C60 Si14 99.5(5) . .
C49 Mn2 C60 Si14 -49.3(6) . .
C59 Mn2 C60 Si14 -120.3(7) . .
C58 Mn2 C60 Si14 -146.9(6) . .
C59 C60 Si14 C61 10.9(8) . .
Mn2 C60 Si14 C61 104.8(6) . .
C59 C60 Si14 C62 132.5(7) . .
Mn2 C60 Si14 C62 -133.5(5) . .
C59 C60 Si14 C63 -109.9(7) . .
Mn2 C60 Si14 C63 -15.9(7) . .
C66 Si15 C67 C68 174.0(5) . .
C64 Si15 C67 C68 -68.6(6) . .
C65 Si15 C67 C68 51.0(6) . .
C66 Si15 C67 Mn2 51.8(5) . .
C64 Si15 C67 Mn2 169.2(4) . .
C65 Si15 C67 Mn2 -71.2(5) . .
C66 Si15 C67 K4 -114.8(3) . .
C64 Si15 C67 K4 2.7(4) . .
C65 Si15 C67 K4 122.2(3) . .
C49 Mn2 C67 C68 106.9(5) . .
C59 Mn2 C67 C68 -74.9(5) . .
C58 Mn2 C67 C68 -115.0(5) . .
C60 Mn2 C67 C68 -47.9(5) . .
C49 Mn2 C67 Si15 -125.3(3) . .
C59 Mn2 C67 Si15 52.9(4) . .
C58 Mn2 C67 Si15 12.8(4) . .
C60 Mn2 C67 Si15 79.9(4) . .
C49 Mn2 C67 K4 29.5(5) . .
C59 Mn2 C67 K4 -152.4(4) . .
C58 Mn2 C67 K4 167.5(4) . .
C60 Mn2 C67 K4 -125.4(4) . .
C41 K4 C67 C68 -133.4(5) 1_455 .
C40 K4 C67 C68 -75.7(6) 1_455 .
C69 K4 C67 C68 -22.7(4) . .
C42 K4 C67 C68 171.9(4) 1_455 .
C55 K4 C67 C68 67.9(4) 1_455 .
C41 K4 C67 Si15 111.4(4) 1_455 .
C40 K4 C67 Si15 169.1(3) 1_455 .
C69 K4 C67 Si15 -137.9(4) . .
C42 K4 C67 Si15 56.7(5) 1_455 .
C68 K4 C67 Si15 -115.2(5) . .
C55 K4 C67 Si15 -47.3(3) 1_455 .
C41 K4 C67 Mn2 -45.8(6) 1_455 .
C40 K4 C67 Mn2 11.9(7) 1_455 .
C69 K4 C67 Mn2 64.9(5) . .
C42 K4 C67 Mn2 -100.5(5) 1_455 .
C68 K4 C67 Mn2 87.6(6) . .
C55 K4 C67 Mn2 155.6(4) 1_455 .
Si15 C67 C68 C69 140.4(7) . .
Mn2 C67 C68 C69 -92.1(8) . .
K4 C67 C68 C69 53.9(7) . .
Si15 C67 C68 K4 86.5(4) . .
Mn2 C67 C68 K4 -145.9(3) . .
C41 K4 C68 C69 -36.9(8) 1_455 .
C40 K4 C68 C69 -2.2(6) 1_455 .
C55 K4 C68 C69 101.9(5) 1_455 .
C67 K4 C68 C69 -137.9(7) . .
C41 K4 C68 C67 101.0(6) 1_455 .
C40 K4 C68 C67 135.7(4) 1_455 .
C69 K4 C68 C67 137.9(7) . .
C55 K4 C68 C67 -120.2(4) 1_455 .
C67 C68 C69 Si16 -178.8(6) . .
K4 C68 C69 Si16 -118.8(6) . .
C67 C68 C69 K4 -60.0(7) . .
C41 K4 C69 C68 161.5(4) 1_455 .
C40 K4 C69 C68 178.4(4) 1_455 .
C42 K4 C69 C68 179.9(6) 1_455 .
C55 K4 C69 C68 -84.9(5) 1_455 .
C67 K4 C69 C68 23.4(4) . .
C41 K4 C69 Si16 -68.4(5) 1_455 .
C40 K4 C69 Si16 -51.5(4) 1_455 .
C42 K4 C69 Si16 -50.0(8) 1_455 .
C68 K4 C69 Si16 130.1(6) . .
C55 K4 C69 Si16 45.2(4) 1_455 .
C67 K4 C69 Si16 153.6(5) . .
C68 C69 Si16 C71 -140.0(7) . .
K4 C69 Si16 C71 113.9(4) . .
C68 C69 Si16 C72 101.3(8) . .
K4 C69 Si16 C72 -4.8(6) . .
C68 C69 Si16 C70 -17.1(8) . .
K4 C69 Si16 C70 -123.2(4) . .
