#------------------------------------------------------------------------------
#$Date: 2019-11-25 03:04:08 +0200 (Mon, 25 Nov 2019) $
#$Revision: 239994 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/07/4350713.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_4350713
loop_
_publ_author_name
'Huang, Wenliang'
'Le Roy, Jennifer J.'
'Khan, Saeed I.'
'Ungur, Liviu'
'Murugesu, Muralee'
'Diaconescu, Paula L.'
_publ_section_title
;
 Tetraanionic biphenyl lanthanide complexes as single-molecule magnets.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2374
_journal_page_last               2382
_journal_paper_doi               10.1021/ic5029788
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C84 H118 Dy2 Fe2 K2 N4 Si4'
_chemical_formula_weight         1811.08
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.561(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.320(3)
_cell_length_b                   21.816(5)
_cell_length_c                   26.408(6)
_cell_measurement_temperature    100(2)
_cell_volume                     8211(3)
_computing_cell_refinement       'SAINT V8.32B (Bruker AXS Inc., 2013'
_computing_data_collection       'Bruker Apex2, 2013'
_computing_data_reduction        'SAINT V8.32B (Bruker AXS Inc., 2013'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.944
_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  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            57552
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.85
_diffrn_reflns_theta_min         3.56
_exptl_absorpt_coefficient_mu    2.350
_exptl_absorpt_correction_T_max  0.7990
_exptl_absorpt_correction_T_min  0.6382
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3712
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.047
_refine_diff_density_min         -3.631
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         12199
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0357
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0297P)²+54.4145P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0793
_refine_ls_wR_factor_ref         0.0843
_reflns_number_gt                10408
_reflns_number_total             12199
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5029788_si_002.cif
_cod_data_source_block           Dy2-biph
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4350713
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.084277(8) 0.842990(6) 0.819514(5) 0.01450(4) Uani 1 1 d . . .
Fe1 Fe 0.07183(3) 0.858116(19) 0.939732(16) 0.01997(9) Uani 1 1 d . D .
K1 K 0.13819(6) 1.03715(3) 0.83199(3) 0.03108(16) Uani 1 1 d . . .
Si2 Si 0.16822(5) 0.68354(4) 0.85328(3) 0.01873(15) Uani 1 1 d . D .
N1 N 0.1948(2) 0.91539(13) 0.85659(11) 0.0285(2) Uani 1 1 d . . .
N2 N 0.12274(17) 0.75424(11) 0.86266(9) 0.0179(5) Uani 1 1 d . . .
C1 C 0.0000 0.77597(19) 0.7500 0.0204(8) Uani 1 2 d S . .
H1A H 0.0000 0.7324 0.7500 0.024 Uiso 1 2 calc SR D .
C2 C -0.0739(2) 0.80820(13) 0.77080(11) 0.0188(5) Uani 1 1 d . . .
H2A H -0.1260 0.7863 0.7813 0.023 Uiso 1 1 calc R . .
C3 C -0.06953(19) 0.87531(13) 0.77611(10) 0.0163(5) Uani 1 1 d . . .
H3A H -0.1112 0.8960 0.7962 0.020 Uiso 1 1 calc R D .
C4 C 0.0000 0.91040(17) 0.7500 0.0146(7) Uani 1 2 d S . .
C5 C 0.0000 0.97510(18) 0.7500 0.0170(7) Uani 1 2 d S . .
C6 C -0.0621(2) 1.01066(14) 0.77825(12) 0.0237(6) Uani 1 1 d . . .
H6A H -0.1050 0.9900 0.7976 0.028 Uiso 1 1 calc R . .
C7 C -0.0609(3) 1.07417(16) 0.77790(14) 0.0359(9) Uani 1 1 d . . .
H7A H -0.1027 1.0958 0.7972 0.043 Uiso 1 1 calc R D .
C8 C 0.0000 1.1073(2) 0.7500 0.0432(15) Uani 1 2 d S . .
H8A H 0.0000 1.1508 0.7500 0.052 Uiso 1 2 calc SR . .
C9 C 0.1499(2) 0.92273(16) 0.90054(14) 0.0285(2) Uani 1 1 d . D .
C10 C 0.0519(2) 0.93963(15) 0.90101(14) 0.0285(2) Uani 1 1 d . . .
H10A H 0.0092 0.9460 0.8717 0.034 Uiso 1 1 calc R D .
C11 C 0.0297(2) 0.94521(15) 0.95208(13) 0.0285(2) Uani 1 1 d . D .
H11A H -0.0295 0.9563 0.9627 0.034 Uiso 1 1 calc R . .
C12 C 0.1116(2) 0.93125(15) 0.98418(14) 0.0285(2) Uani 1 1 d . . .
H12A H 0.1173 0.9320 1.0203 0.034 Uiso 1 1 calc R D .
C13 C 0.1839(2) 0.91584(15) 0.95335(13) 0.0285(2) Uani 1 1 d . D .
H13A H 0.2454 0.9030 0.9656 0.034 Uiso 1 1 calc R . .
C14 C 0.0822(2) 0.76937(13) 0.90687(11) 0.0185(5) Uani 1 1 d . D .
C15 C -0.0140(2) 0.78856(13) 0.90892(11) 0.0203(5) Uani 1 1 d . . .
H15A H -0.0594 0.7926 0.8804 0.024 Uiso 1 1 calc R D .
C16 C -0.0301(2) 0.80049(15) 0.96046(12) 0.0252(6) Uani 1 1 d . D .
H16A H -0.0876 0.8131 0.9723 0.030 Uiso 1 1 calc R . .
C17 C 0.0556(3) 0.79012(15) 0.99091(12) 0.0277(7) Uani 1 1 d . . .
H17A H 0.0651 0.7939 1.0269 0.033 Uiso 1 1 calc R D .
C18 C 0.1246(2) 0.77308(14) 0.95841(12) 0.0242(6) Uani 1 1 d . D .
H18A H 0.1887 0.7653 0.9691 0.029 Uiso 1 1 calc R . .
C19 C 0.3672(2) 0.97849(18) 0.90213(16) 0.0359(8) Uani 1 1 d . . .
H19A H 0.4077 0.9676 0.9329 0.054 Uiso 1 1 calc R A 1
H19B H 0.3160 1.0048 0.9113 0.054 Uiso 1 1 calc R A 1
H19C H 0.4041 1.0004 0.8785 0.054 Uiso 1 1 calc R A 1
C20 C 0.3263(2) 0.96062(15) 0.77701(14) 0.0285(2) Uani 1 1 d . . .
H20A H 0.2576 0.9598 0.7724 0.043 Uiso 1 1 calc R B 1
H20B H 0.3510 0.9621 0.7437 0.043 Uiso 1 1 calc R B 1
H20C H 0.3472 0.9970 0.7968 0.043 Uiso 1 1 calc R B 1
C22 C 0.3637(2) 0.83138(15) 0.90333(14) 0.0285(2) Uani 1 1 d . . .
H22A H 0.3298 0.7959 0.8879 0.043 Uiso 1 1 calc R C 1
H22B H 0.3548 0.8333 0.9396 0.043 Uiso 1 1 calc R C 1
H22C H 0.4307 0.8273 0.8992 0.043 Uiso 1 1 calc R C 1
C25 C 0.2778(2) 0.66561(16) 0.89611(15) 0.0317(7) Uani 1 1 d . . .
H25A H 0.3282 0.6934 0.8883 0.048 Uiso 1 1 calc R D .
H25B H 0.2967 0.6231 0.8906 0.048 Uiso 1 1 calc R . .
H25C H 0.2654 0.6710 0.9317 0.048 Uiso 1 1 calc R . .
C26 C 0.2021(2) 0.67898(16) 0.78671(13) 0.0277(7) Uani 1 1 d . . .
H26A H 0.2425 0.7138 0.7802 0.042 Uiso 1 1 calc R D .
H26B H 0.1454 0.6801 0.7627 0.042 Uiso 1 1 calc R . .
H26C H 0.2360 0.6406 0.7823 0.042 Uiso 1 1 calc R . .
C27 C 0.0815(2) 0.61964(14) 0.86319(13) 0.0243(6) Uani 1 1 d . . .
C28 C -0.0145(3) 0.63485(18) 0.83563(18) 0.0403(9) Uani 1 1 d . D .
H28A H -0.0591 0.6023 0.8418 0.060 Uiso 1 1 calc R . .
H28B H -0.0092 0.6382 0.7990 0.060 Uiso 1 1 calc R . .
H28C H -0.0368 0.6739 0.8484 0.060 Uiso 1 1 calc R . .
C29 C 0.0716(3) 0.61151(18) 0.91987(15) 0.0386(9) Uani 1 1 d . D .
H29A H 0.0274 0.5782 0.9246 0.058 Uiso 1 1 calc R . .
H29B H 0.0481 0.6496 0.9337 0.058 Uiso 1 1 calc R . .
H29C H 0.1329 0.6016 0.9377 0.058 Uiso 1 1 calc R . .
C30 C 0.1152(3) 0.55896(15) 0.84212(16) 0.0359(8) Uani 1 1 d . D .
H30A H 0.0728 0.5259 0.8502 0.054 Uiso 1 1 calc R . .
H30B H 0.1787 0.5500 0.8575 0.054 Uiso 1 1 calc R . .
H30C H 0.1156 0.5622 0.8051 0.054 Uiso 1 1 calc R . .
C31 C 0.1255(9) 1.2353(3) 0.8176(3) 0.143(5) Uani 1 1 d . D .
H31A H 0.1768 1.2652 0.8218 0.214 Uiso 1 1 calc R . .
H31B H 0.0655 1.2565 0.8193 0.214 Uiso 1 1 calc R . .
H31C H 0.1258 1.2149 0.7846 0.214 Uiso 1 1 calc R . .
C32 C 0.1382(4) 1.1887(2) 0.85911(17) 0.0506(12) Uani 1 1 d . . .
C33 C 0.0638(3) 1.1656(2) 0.88091(19) 0.0478(11) Uani 1 1 d . D .
H33A H -0.0011 1.1812 0.8710 0.057 Uiso 1 1 calc R . .
C34 C 0.0820(6) 1.1212(3) 0.9230(3) 0.092(3) Uani 1 1 d . . .
H34A H 0.0333 1.1090 0.9458 0.110 Uiso 1 1 calc R D .
C35 C 0.1840(6) 1.1096(3) 0.93597(18) 0.082(2) Uani 1 1 d . D .
H35A H 0.2069 1.0873 0.9679 0.099 Uiso 1 1 calc R . .
C36 C 0.2447(5) 1.1372(4) 0.9077(3) 0.080(2) Uani 1 1 d . . .
H36A H 0.3130 1.1302 0.9178 0.096 Uiso 1 1 calc R D .
C37 C 0.2244(4) 1.1727(3) 0.8718(3) 0.0753(19) Uani 1 1 d . D .
H37A H 0.2757 1.1919 0.8541 0.090 Uiso 1 1 calc R . .
C1S C 0.2888(3) 0.4288(2) 0.88776(19) 0.0498(11) Uani 1 1 d . . .
H1SA H 0.3447 0.4031 0.8869 0.075 Uiso 1 1 calc R . .
H1SB H 0.3073 0.4693 0.9013 0.075 Uiso 1 1 calc R . .
H1SC H 0.2577 0.4333 0.8532 0.075 Uiso 1 1 calc R . .
C2S C 0.2223(2) 0.39933(19) 0.92134(15) 0.0352(8) Uani 1 1 d . . .
C3S C 0.1616(3) 0.4347(2) 0.94717(15) 0.0383(8) Uani 1 1 d . . .
H3SA H 0.1637 0.4781 0.9448 0.046 Uiso 1 1 calc R . .
C4S C 0.0981(3) 0.4072(2) 0.97632(15) 0.0400(9) Uani 1 1 d . . .
H4SA H 0.0564 0.4319 0.9934 0.048 Uiso 1 1 calc R . .
C5S C 0.0950(3) 0.3440(2) 0.98070(16) 0.0408(9) Uani 1 1 d . . .
H5SA H 0.0511 0.3252 1.0005 0.049 Uiso 1 1 calc R . .
C6S C 0.1560(3) 0.3085(2) 0.95612(17) 0.0421(9) Uani 1 1 d . . .
H6SA H 0.1553 0.2652 0.9596 0.051 Uiso 1 1 calc R . .
C7S C 0.2187(3) 0.33604(19) 0.92619(16) 0.0388(9) Uani 1 1 d . . .
H7SA H 0.2597 0.3112 0.9088 0.047 Uiso 1 1 calc R . .
Si1 Si 0.31591(12) 0.90556(8) 0.87021(7) 0.0285(2) Uani 0.575(3) 1 d P D 1
C21 C 0.3639(4) 0.9006(3) 0.8065(2) 0.0285(2) Uani 0.575(3) 1 d P D 1
C23 C 0.4723(4) 0.9001(3) 0.8146(2) 0.0285(2) Uani 0.575(3) 1 d P D 1
H23A H 0.4978 0.8977 0.7816 0.043 Uiso 0.575(3) 1 calc PR D 1
H23B H 0.4934 0.8646 0.8354 0.043 Uiso 0.575(3) 1 calc PR D 1
H23C H 0.4944 0.9378 0.8321 0.043 Uiso 0.575(3) 1 calc PR D 1
C24 C 0.3335(4) 0.8411(3) 0.7793(3) 0.0285(2) Uani 0.575(3) 1 d P D 1
H24A H 0.3588 0.8397 0.7461 0.043 Uiso 0.575(3) 1 calc PR D 1
H24B H 0.2648 0.8393 0.7743 0.043 Uiso 0.575(3) 1 calc PR D 1
H24C H 0.3573 0.8060 0.7999 0.043 Uiso 0.575(3) 1 calc PR D 1
Si1A Si 0.31096(12) 0.93205(9) 0.84700(7) 0.0161(5) Uani 0.425(3) 1 d P D 2
C21A C 0.3860(6) 0.8605(4) 0.8475(3) 0.0285(2) Uani 0.425(3) 1 d P D 2
C23A C 0.4903(5) 0.8789(4) 0.8451(3) 0.0272(16) Uani 0.425(3) 1 d P D 2
H23D H 0.5291 0.8419 0.8454 0.041 Uiso 0.425(3) 1 calc PR D 2
H23E H 0.5110 0.9044 0.8747 0.041 Uiso 0.425(3) 1 calc PR D 2
H23F H 0.4965 0.9021 0.8138 0.041 Uiso 0.425(3) 1 calc PR D 2
C24A C 0.3545(6) 0.8198(4) 0.8019(4) 0.036(2) Uani 0.425(3) 1 d P D 2
H24D H 0.3940 0.7830 0.8027 0.053 Uiso 0.425(3) 1 calc PR D 2
H24E H 0.3605 0.8425 0.7703 0.053 Uiso 0.425(3) 1 calc PR D 2
H24F H 0.2889 0.8078 0.8034 0.053 Uiso 0.425(3) 1 calc PR D 2
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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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
N2 Dy1 N1 103.81(9) . .
N2 Dy1 C3 129.06(9) . .
N1 Dy1 C3 121.74(10) . .
N2 Dy1 C2 102.01(9) . 2_556
N1 Dy1 C2 124.86(10) . 2_556
C3 Dy1 C2 71.15(9) . 2_556
N2 Dy1 C1 87.00(10) . .
N1 Dy1 C1 157.58(8) . .
C3 Dy1 C1 59.69(9) . .
C2 Dy1 C1 32.72(7) 2_556 .
N2 Dy1 C4 156.54(9) . .
N1 Dy1 C4 99.34(10) . .
C3 Dy1 C4 34.03(7) . .
C2 Dy1 C4 60.58(9) 2_556 .
C1 Dy1 C4 69.93(10) . .
N2 Dy1 C2 98.93(9) . .
N1 Dy1 C2 155.23(9) . .
C3 Dy1 C2 33.49(9) . .
C2 Dy1 C2 58.04(12) 2_556 .
C1 Dy1 C2 32.00(7) . .
C4 Dy1 C2 59.13(9) . .
N2 Dy1 C3 134.73(9) . 2_556
N1 Dy1 C3 101.95(10) . 2_556
C3 Dy1 C3 59.47(11) . 2_556
C2 Dy1 C3 33.41(9) 2_556 2_556
C1 Dy1 C3 58.10(9) . 2_556
C4 Dy1 C3 33.20(7) . 2_556
C2 Dy1 C3 67.43(9) . 2_556
N2 Dy1 C14 29.45(9) . .
N1 Dy1 C14 95.79(9) . .
C3 Dy1 C14 117.46(9) . .
C2 Dy1 C14 127.31(9) 2_556 .
C1 Dy1 C14 102.74(9) . .
C4 Dy1 C14 150.91(6) . .
C2 Dy1 C14 99.26(9) . .
C3 Dy1 C14 160.23(8) 2_556 .
N2 Dy1 C9 95.56(9) . .
N1 Dy1 C9 29.13(10) . .
C3 Dy1 C9 112.76(10) . .
C2 Dy1 C9 152.88(10) 2_556 .
C1 Dy1 C9 171.17(8) . .
C4 Dy1 C9 106.64(10) . .
C2 Dy1 C9 139.19(10) . .
C3 Dy1 C9 123.51(9) 2_556 .
C14 Dy1 C9 76.19(9) . .
N2 Dy1 Fe1 68.19(6) . .
N1 Dy1 Fe1 67.89(7) . .
C3 Dy1 Fe1 107.16(7) . .
C2 Dy1 Fe1 166.45(7) 2_556 .
C1 Dy1 Fe1 134.47(4) . .
C4 Dy1 Fe1 125.57(5) . .
C2 Dy1 Fe1 112.88(7) . .
C3 Dy1 Fe1 157.03(6) 2_556 .
C14 Dy1 Fe1 40.77(6) . .
C9 Dy1 Fe1 40.57(7) . .
C12 Fe1 C11 40.71(13) . .
C12 Fe1 C17 103.46(14) . .
C11 Fe1 C17 121.39(15) . .
C12 Fe1 C16 119.81(14) . .
C11 Fe1 C16 107.61(14) . .
C17 Fe1 C16 40.71(13) . .
C12 Fe1 C13 40.75(14) . .
C11 Fe1 C13 68.62(14) . .
C17 Fe1 C13 118.07(14) . .
C16 Fe1 C13 154.41(14) . .
C12 Fe1 C18 119.83(13) . .
C11 Fe1 C18 156.79(13) . .
C17 Fe1 C18 40.72(14) . .
C16 Fe1 C18 68.48(14) . .
C13 Fe1 C18 104.54(14) . .
C12 Fe1 C10 68.01(14) . .
C11 Fe1 C10 40.67(14) . .
C17 Fe1 C10 160.18(15) . .
C16 Fe1 C10 126.71(14) . .
C13 Fe1 C10 67.89(13) . .
C18 Fe1 C10 159.07(14) . .
C12 Fe1 C15 157.93(13) . .
C11 Fe1 C15 125.12(13) . .
C17 Fe1 C15 67.96(12) . .
C16 Fe1 C15 40.60(12) . .
C13 Fe1 C15 161.30(14) . .
C18 Fe1 C15 67.73(12) . .
C10 Fe1 C15 112.95(13) . .
C12 Fe1 C9 68.25(14) . .
C11 Fe1 C9 68.68(14) . .
C17 Fe1 C9 154.78(14) . .
C16 Fe1 C9 163.99(13) . .
C13 Fe1 C9 40.30(13) . .
C18 Fe1 C9 121.25(14) . .
C10 Fe1 C9 40.54(13) . .
C15 Fe1 C9 127.90(13) . .
C12 Fe1 C14 157.27(13) . .
C11 Fe1 C14 161.60(12) . .
C17 Fe1 C14 68.01(12) . .
C16 Fe1 C14 68.27(12) . .
C13 Fe1 C14 123.10(13) . .
C18 Fe1 C14 40.18(11) . .
C10 Fe1 C14 126.45(13) . .
C15 Fe1 C14 40.23(11) . .
C9 Fe1 C14 110.03(13) . .
C12 Fe1 Dy1 127.79(10) . .
C11 Fe1 Dy1 107.49(10) . .
C17 Fe1 Dy1 127.01(10) . .
C16 Fe1 Dy1 108.14(9) . .
C13 Fe1 Dy1 96.85(10) . .
C18 Fe1 Dy1 95.19(9) . .
C10 Fe1 Dy1 67.42(10) . .
C15 Fe1 Dy1 67.91(8) . .
C9 Fe1 Dy1 60.38(10) . .
C14 Fe1 Dy1 59.48(8) . .
N1 K1 C6 96.23(9) . 2_556
N1 K1 C9 26.77(9) . .
C6 K1 C9 113.58(9) 2_556 .
N1 K1 C5 84.25(9) . .
C6 K1 C5 27.05(7) 2_556 .
C9 K1 C5 92.94(9) . .
N1 K1 C7 121.68(10) . 2_556
C6 K1 C7 25.92(9) 2_556 2_556
C9 K1 C7 138.87(9) . 2_556
C5 K1 C7 46.86(9) . 2_556
N1 K1 C6 99.21(8) . .
C6 K1 C6 46.20(12) 2_556 .
C9 K1 C6 96.45(9) . .
C5 K1 C6 26.76(6) . .
C7 K1 C6 52.91(10) 2_556 .
N1 K1 C10 49.47(9) . .
C6 K1 C10 107.51(9) 2_556 .
C9 K1 C10 27.02(9) . .
C5 K1 C10 81.30(8) . .
C7 K1 C10 126.47(10) 2_556 .
C6 K1 C10 75.08(9) . .
N1 K1 C7 124.56(9) . .
C6 K1 C7 52.96(9) 2_556 .
C9 K1 C7 117.87(10) . .
C5 K1 C7 46.41(8) . .
C7 K1 C7 44.73(15) 2_556 .
C6 K1 C7 25.43(9) . .
C10 K1 C7 92.71(10) . .
N1 K1 C8 138.77(10) . .
C6 K1 C8 45.82(9) 2_556 .
C9 K1 C8 141.74(9) . .
C5 K1 C8 54.65(11) . .
C7 K1 C8 25.61(9) 2_556 .
C6 K1 C8 45.35(9) . .
C10 K1 C8 117.93(8) . .
C7 K1 C8 25.41(9) . .
N1 K1 C35 103.72(12) . .
C6 K1 C35 159.86(12) 2_556 .
C9 K1 C35 84.27(13) . .
C5 K1 C35 152.18(18) . .
C7 K1 C35 134.54(12) 2_556 .
C6 K1 C35 125.93(18) . .
C10 K1 C35 83.98(16) . .
C7 K1 C35 111.36(15) . .
C8 K1 C35 114.31(13) . .
N1 K1 C34 116.97(17) . .
C6 K1 C34 137.13(19) 2_556 .
C9 K1 C34 91.50(16) . .
C5 K1 C34 125.98(16) . .
C7 K1 C34 117.47(19) 2_556 .
C6 K1 C34 99.28(17) . .
C10 K1 C34 79.00(13) . .
C7 K1 C34 84.94(19) . .
C8 K1 C34 92.93(19) . .
C35 K1 C34 27.04(19) . .
N1 K1 C36 112.51(18) . .
C6 K1 C36 144.73(19) 2_556 .
C9 K1 C36 100.83(19) . .
C5 K1 C36 162.92(17) . .
C7 K1 C36 120.30(19) 2_556 .
C6 K1 C36 139.52(15) . .
C10 K1 C36 106.70(18) . .
C7 K1 C36 117.13(16) . .
C8 K1 C36 108.71(19) . .
C35 K1 C36 24.12(19) . .
C34 K1 C36 44.39(18) . .
N2 Si2 C26 108.83(14) . .
N2 Si2 C25 114.14(15) . .
C26 Si2 C25 106.06(17) . .
N2 Si2 C27 112.34(14) . .
C26 Si2 C27 108.80(16) . .
C25 Si2 C27 106.38(16) . .
C9 N1 Si1A 128.5(2) . .
C9 N1 Si1 111.8(2) . .
Si1A N1 Si1 27.82(9) . .
C9 N1 Dy1 94.43(19) . .
Si1A N1 Dy1 133.16(17) . .
Si1 N1 Dy1 127.57(16) . .
C9 N1 K1 86.5(2) . .
Si1A N1 K1 91.55(13) . .
Si1 N1 K1 114.69(14) . .
Dy1 N1 K1 111.34(11) . .
C14 N2 Si2 122.2(2) . .
C14 N2 Dy1 96.73(17) . .
Si2 N2 Dy1 140.53(14) . .
C2 C1 C2 120.8(4) 2_556 .
C2 C1 Dy1 71.21(15) 2_556 .
C2 C1 Dy1 75.94(16) . .
C2 C1 Dy1 75.94(16) 2_556 2_556
C2 C1 Dy1 71.21(15) . 2_556
Dy1 C1 Dy1 110.22(15) . 2_556
C2 C1 H1A 119.6 2_556 .
C2 C1 H1A 119.6 . .
Dy1 C1 H1A 124.9 . .
Dy1 C1 H1A 124.9 2_556 .
C1 C2 C3 120.1(3) . .
C1 C2 Dy1 76.07(14) . 2_556
C3 C2 Dy1 77.67(16) . 2_556
C1 C2 Dy1 72.06(13) . .
C3 C2 Dy1 68.70(14) . .
Dy1 C2 Dy1 110.61(11) 2_556 .
C1 C2 H2A 119.9 . .
C3 C2 H2A 119.9 . .
Dy1 C2 H2A 117.1 2_556 .
Dy1 C2 H2A 132.3 . .
C2 C3 C4 119.6(3) . .
C2 C3 Dy1 77.81(15) . .
C4 C3 Dy1 75.83(13) . .
C2 C3 Dy1 68.92(15) . 2_556
C4 C3 Dy1 71.56(13) . 2_556
Dy1 C3 Dy1 110.77(10) . 2_556
C2 C3 H3A 120.2 . .
C4 C3 H3A 120.2 . .
Dy1 C3 H3A 117.0 . .
Dy1 C3 H3A 132.3 2_556 .
C5 C4 C3 121.18(17) . 2_556
C5 C4 C3 121.18(17) . .
C3 C4 C3 117.6(3) 2_556 .
C5 C4 Dy1 125.04(7) . 2_556
C3 C4 Dy1 70.14(14) 2_556 2_556
C3 C4 Dy1 75.24(15) . 2_556
C5 C4 Dy1 125.04(7) . .
C3 C4 Dy1 75.24(15) 2_556 .
C3 C4 Dy1 70.14(14) . .
Dy1 C4 Dy1 109.91(14) 2_556 .
C4 C5 C6 122.56(19) . 2_556
C4 C5 C6 122.56(19) . .
C6 C5 C6 114.9(4) 2_556 .
C4 C5 K1 115.90(7) . .
C6 C5 K1 75.07(15) 2_556 .
C6 C5 K1 77.73(15) . .
C4 C5 K1 115.90(7) . 2_556
C6 C5 K1 77.73(15) 2_556 2_556
C6 C5 K1 75.07(14) . 2_556
K1 C5 K1 128.20(13) . 2_556
C7 C6 C5 121.7(3) . .
C7 C6 K1 79.0(2) . 2_556
C5 C6 K1 77.88(14) . 2_556
C7 C6 K1 78.8(2) . .
C5 C6 K1 75.51(14) . .
K1 C6 K1 128.49(12) 2_556 .
C7 C6 H6A 119.1 . .
C5 C6 H6A 119.1 . .
K1 C6 H6A 114.3 2_556 .
K1 C6 H6A 117.1 . .
C6 C7 C8 122.0(4) . .
C6 C7 K1 75.11(19) . 2_556
C8 C7 K1 79.96(17) . 2_556
C6 C7 K1 75.74(19) . .
C8 C7 K1 77.84(18) . .
K1 C7 K1 125.32(12) 2_556 .
C6 C7 H7A 119.0 . .
C8 C7 H7A 119.0 . .
K1 C7 H7A 116.4 2_556 .
K1 C7 H7A 118.1 . .
C7 C8 C7 117.7(5) 2_556 .
C7 C8 K1 76.75(19) 2_556 2_556
C7 C8 K1 74.43(18) . 2_556
C7 C8 K1 74.43(18) 2_556 .
C7 C8 K1 76.75(19) . .
K1 C8 K1 122.50(17) 2_556 .
C7 C8 H8A 121.1 2_556 .
C7 C8 H8A 121.1 . .
K1 C8 H8A 118.7 2_556 .
K1 C8 H8A 118.7 . .
N1 C9 C13 131.0(3) . .
N1 C9 C10 124.2(3) . .
C13 C9 C10 104.8(3) . .
N1 C9 Fe1 129.6(2) . .
C13 C9 Fe1 66.70(19) . .
C10 C9 Fe1 67.08(19) . .
N1 C9 Dy1 56.45(17) . .
C13 C9 Dy1 136.1(2) . .
C10 C9 Dy1 85.0(2) . .
Fe1 C9 Dy1 79.05(10) . .
N1 C9 K1 66.76(18) . .
C13 C9 K1 130.4(2) . .
C10 C9 K1 78.55(19) . .
Fe1 C9 K1 145.23(15) . .
Dy1 C9 K1 93.35(10) . .
C11 C10 C9 109.6(3) . .
C11 C10 Fe1 68.6(2) . .
C9 C10 Fe1 72.4(2) . .
C11 C10 K1 129.2(2) . .
C9 C10 K1 74.43(19) . .
Fe1 C10 K1 146.40(16) . .
C11 C10 H10A 125.2 . .
C9 C10 H10A 125.2 . .
Fe1 C10 H10A 125.4 . .
K1 C10 H10A 71.6 . .
C12 C11 C10 107.6(3) . .
C12 C11 Fe1 69.6(2) . .
C10 C11 Fe1 70.7(2) . .
C12 C11 H11A 126.2 . .
C10 C11 H11A 126.2 . .
Fe1 C11 H11A 125.0 . .
C11 C12 C13 108.5(3) . .
C11 C12 Fe1 69.6(2) . .
C13 C12 Fe1 70.2(2) . .
C11 C12 H12A 125.8 . .
C13 C12 H12A 125.8 . .
Fe1 C12 H12A 126.0 . .
C12 C13 C9 109.5(3) . .
C12 C13 Fe1 69.04(19) . .
C9 C13 Fe1 73.00(19) . .
C12 C13 H13A 125.3 . .
C9 C13 H13A 125.3 . .
Fe1 C13 H13A 124.3 . .
N2 C14 C18 129.4(3) . .
N2 C14 C15 125.2(2) . .
C18 C14 C15 105.3(3) . .
N2 C14 Fe1 127.4(2) . .
C18 C14 Fe1 66.63(16) . .
C15 C14 Fe1 67.52(16) . .
N2 C14 Dy1 53.82(14) . .
C18 C14 Dy1 135.0(2) . .
C15 C14 Dy1 87.20(17) . .
Fe1 C14 Dy1 79.76(9) . .
C16 C15 C14 109.3(3) . .
C16 C15 Fe1 68.62(18) . .
C14 C15 Fe1 72.24(16) . .
C16 C15 H15A 125.3 . .
C14 C15 H15A 125.3 . .
Fe1 C15 H15A 125.4 . .
C17 C16 C15 107.6(3) . .
C17 C16 Fe1 69.45(19) . .
C15 C16 Fe1 70.79(18) . .
C17 C16 H16A 126.2 . .
C15 C16 H16A 126.2 . .
Fe1 C16 H16A 125.1 . .
C16 C17 C18 108.2(3) . .
C16 C17 Fe1 69.84(18) . .
C18 C17 Fe1 70.02(18) . .
C16 C17 H17A 125.9 . .
C18 C17 H17A 125.9 . .
Fe1 C17 H17A 125.8 . .
C17 C18 C14 109.4(3) . .
C17 C18 Fe1 69.26(18) . .
C14 C18 Fe1 73.19(16) . .
C17 C18 H18A 125.3 . .
C14 C18 H18A 125.3 . .
Fe1 C18 H18A 123.8 . .
Si1A C19 Si1 25.53(8) . .
Si1A C19 H19A 133.0 . .
Si1 C19 H19A 109.5 . .
Si1A C19 H19B 103.5 . .
Si1 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
Si1A C19 H19C 89.3 . .
Si1 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C21 C20 Si1A 49.3(3) . .
C21 C20 H20A 109.5 . .
Si1A C20 H20A 84.8 . .
C21 C20 H20B 109.5 . .
Si1A C20 H20B 158.4 . .
H20A C20 H20B 109.5 . .
C21 C20 H20C 109.5 . .
Si1A C20 H20C 79.2 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C21A C22 Si1 50.9(3) . .
C21A C22 H22A 93.6 . .
Si1 C22 H22A 109.5 . .
C21A C22 H22B 154.8 . .
Si1 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21A C22 H22C 70.3 . .
Si1 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
Si2 C25 H25A 109.5 . .
Si2 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
Si2 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
Si2 C26 H26A 109.5 . .
Si2 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
Si2 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C29 C27 C28 109.1(3) . .
C29 C27 C30 108.5(3) . .
C28 C27 C30 108.4(3) . .
C29 C27 Si2 110.1(2) . .
C28 C27 Si2 110.2(2) . .
C30 C27 Si2 110.5(2) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C27 C30 H30A 109.5 . .
C27 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C27 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C32 C31 H31A 109.5 . .
C32 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C32 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C37 C32 C33 123.9(6) . .
C37 C32 C31 114.7(7) . .
C33 C32 C31 121.3(7) . .
C37 C32 K1 76.8(3) . .
C33 C32 K1 75.1(3) . .
C31 C32 K1 120.9(3) . .
C32 C33 C34 118.3(5) . .
C32 C33 K1 81.5(3) . .
C34 C33 K1 72.4(2) . .
C32 C33 H33A 120.7 . .
C34 C33 H33A 120.7 . .
K1 C33 H33A 120.7 . .
C33 C34 C35 112.4(5) . .
C33 C34 K1 81.3(3) . .
C35 C34 K1 76.2(3) . .
C33 C34 H34A 122.9 . .
C35 C34 H34A 122.9 . .
K1 C34 H34A 122.9 . .
C36 C35 C34 118.0(6) . .
C36 C35 K1 80.4(3) . .
C34 C35 K1 76.7(3) . .
C36 C35 H35A 120.7 . .
C34 C35 H35A 120.7 . .
K1 C35 H35A 120.7 . .
C37 C36 C35 126.2(7) . .
C37 C36 K1 83.5(4) . .
C35 C36 K1 75.5(3) . .
C37 C36 H36A 116.9 . .
C35 C36 H36A 116.9 . .
K1 C36 H36A 116.9 . .
C36 C37 C32 121.0(7) . .
C36 C37 K1 74.9(4) . .
C32 C37 K1 81.0(3) . .
C36 C37 H37A 119.4 . .
C32 C37 H37A 119.4 . .
K1 C37 H37A 119.4 . .
C2S C1S H1SA 109.5 . .
C2S C1S H1SB 109.5 . .
H1SA C1S H1SB 109.5 . .
C2S C1S H1SC 109.5 . .
H1SA C1S H1SC 109.5 . .
H1SB C1S H1SC 109.5 . .
C7S C2S C3S 118.4(4) . .
C7S C2S C1S 120.7(4) . .
C3S C2S C1S 120.9(4) . .
C4S C3S C2S 120.6(4) . .
C4S C3S H3SA 119.7 . .
C2S C3S H3SA 119.7 . .
C3S C4S C5S 120.4(4) . .
C3S C4S H4SA 119.8 . .
C5S C4S H4SA 119.8 . .
C6S C5S C4S 119.6(4) . .
C6S C5S H5SA 120.2 . .
C4S C5S H5SA 120.2 . .
C5S C6S C7S 120.1(4) . .
C5S C6S H6SA 120.0 . .
C7S C6S H6SA 120.0 . .
C2S C7S C6S 121.0(4) . .
C2S C7S H7SA 119.5 . .
C6S C7S H7SA 119.5 . .
N1 Si1 C21 105.3(2) . .
N1 Si1 C19 108.59(18) . .
C21 Si1 C19 106.5(2) . .
N1 Si1 C22 119.73(17) . .
C21 Si1 C22 102.2(2) . .
C19 Si1 C22 113.15(18) . .
N1 Si1 K1 41.27(10) . .
C21 Si1 K1 95.6(2) . .
C19 Si1 K1 73.44(13) . .
C22 Si1 K1 157.83(13) . .
C24 C21 C23 107.3(5) . .
C24 C21 C20 113.6(5) . .
C23 C21 C20 111.1(4) . .
C24 C21 Si1 111.0(4) . .
C23 C21 Si1 109.0(4) . .
C20 C21 Si1 104.8(4) . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
N1 Si1A C19 109.94(18) . .
N1 Si1A C21A 112.1(3) . .
C19 Si1A C21A 103.8(3) . .
N1 Si1A C20 113.22(17) . .
C19 Si1A C20 118.18(18) . .
C21A Si1A C20 98.7(3) . .
N1 Si1A K1 57.26(11) . .
C19 Si1A K1 88.79(14) . .
C21A Si1A K1 166.3(2) . .
C20 Si1A K1 79.80(12) . .
C24A C21A C23A 109.3(7) . .
C24A C21A C22 114.1(6) . .
C23A C21A C22 113.7(6) . .
C24A C21A Si1A 110.5(6) . .
C23A C21A Si1A 109.5(5) . .
C22 C21A Si1A 99.4(5) . .
C21A C23A H23D 109.5 . .
C21A C23A H23E 109.5 . .
H23D C23A H23E 109.5 . .
C21A C23A H23F 109.5 . .
H23D C23A H23F 109.5 . .
H23E C23A H23F 109.5 . .
C21A C24A H24D 109.5 . .
C21A C24A H24E 109.5 . .
H24D C24A H24E 109.5 . .
C21A C24A H24F 109.5 . .
H24D C24A H24F 109.5 . .
H24E C24A H24F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 N2 2.287(2) .
Dy1 N1 2.379(3) .
Dy1 C3 2.485(3) .
Dy1 C2 2.494(3) 2_556
Dy1 C1 2.556(2) .
Dy1 C4 2.561(2) .
Dy1 C2 2.607(3) .
Dy1 C3 2.611(3) 2_556
Dy1 C14 2.813(3) .
Dy1 C9 2.846(3) .
Dy1 Fe1 3.2139(9) .
Fe1 C12 2.029(3) .
Fe1 C11 2.029(4) .
Fe1 C17 2.035(3) .
Fe1 C16 2.040(3) .
Fe1 C13 2.045(3) .
Fe1 C18 2.045(3) .
Fe1 C10 2.057(3) .
Fe1 C15 2.069(3) .
Fe1 C9 2.129(3) .
Fe1 C14 2.133(3) .
K1 N1 2.834(3) .
K1 C6 3.063(3) 2_556
K1 C9 3.079(4) .
K1 C5 3.0994(19) .
K1 C7 3.111(4) 2_556
K1 C6 3.128(3) .
K1 C10 3.132(4) .
K1 C7 3.167(4) .
K1 C8 3.180(3) .
K1 C35 3.181(5) .
K1 C34 3.187(5) .
K1 C36 3.240(6) .
Si2 N2 1.702(3) .
Si2 C26 1.871(4) .
Si2 C25 1.884(3) .
Si2 C27 1.902(3) .
N1 C9 1.389(5) .
N1 Si1A 1.745(3) .
N1 Si1 1.750(3) .
N2 C14 1.393(4) .
C1 C2 1.424(4) 2_556
C1 C2 1.424(4) .
C1 Dy1 2.556(2) 2_556
C1 H1A 0.9500 .
C2 C3 1.472(4) .
C2 Dy1 2.494(3) 2_556
C2 H2A 0.9500 .
C3 C4 1.478(3) .
C3 Dy1 2.611(3) 2_556
C3 H3A 0.9500 .
C4 C5 1.412(5) .
C4 C3 1.478(3) 2_556
C4 Dy1 2.561(2) 2_556
C5 C6 1.441(4) 2_556
C5 C6 1.441(4) .
C5 K1 3.0994(19) 2_556
C6 C7 1.386(5) .
C6 K1 3.063(3) 2_556
C6 H6A 0.9500 .
C7 C8 1.396(5) .
C7 K1 3.111(4) 2_556
C7 H7A 0.9500 .
C8 C7 1.396(5) 2_556
C8 K1 3.180(3) 2_556
C8 H8A 0.9500 .
C9 C13 1.440(5) .
C9 C10 1.452(5) .
C10 C11 1.420(5) .
C10 H10A 0.9500 .
C11 C12 1.412(5) .
C11 H11A 0.9500 .
C12 C13 1.419(5) .
C12 H12A 0.9500 .
C13 H13A 0.9500 .
C14 C18 1.437(4) .
C14 C15 1.446(4) .
C15 C16 1.426(4) .
C15 H15A 0.9500 .
C16 C17 1.418(5) .
C16 H16A 0.9500 .
C17 C18 1.420(5) .
C17 H17A 0.9500 .
C18 H18A 0.9500 .
C19 Si1A 1.889(4) .
C19 Si1 1.913(4) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 C21 1.591(7) .
C20 Si1A 1.983(4) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C22 C21A 1.666(9) .
C22 Si1 1.933(4) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
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 C29 1.528(5) .
C27 C28 1.528(5) .
C27 C30 1.532(5) .
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 1.492(8) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 C37 1.295(8) .
C32 C33 1.356(7) .
C33 C34 1.480(9) .
C33 H33A 1.0000 .
C34 C35 1.489(10) .
C34 H34A 1.0000 .
C35 C36 1.343(10) .
C35 H35A 1.0000 .
C36 C37 1.237(10) .
C36 H36A 1.0000 .
C37 H37A 1.0000 .
C1S C2S 1.507(5) .
C1S H1SA 0.9800 .
C1S H1SB 0.9800 .
C1S H1SC 0.9800 .
C2S C7S 1.388(6) .
C2S C3S 1.390(5) .
C3S C4S 1.383(5) .
C3S H3SA 0.9500 .
C4S C5S 1.386(6) .
C4S H4SA 0.9500 .
C5S C6S 1.375(6) .
C5S H5SA 0.9500 .
C6S C7S 1.388(6) .
C6S H6SA 0.9500 .
C7S H7SA 0.9500 .
Si1 C21 1.880(7) .
C21 C24 1.527(8) .
C21 C23 1.546(8) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
Si1A C21A 1.894(9) .
C21A C24A 1.528(12) .
C21A C23A 1.554(10) .
C23A H23D 0.9800 .
C23A H23E 0.9800 .
C23A H23F 0.9800 .
C24A H24D 0.9800 .
C24A H24E 0.9800 .
C24A H24F 0.9800 .
