#------------------------------------------------------------------------------
#$Date: 2016-02-20 17:35:30 +0100 (Sat 20 de Feb de 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/29/2212968.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2212968
loop_
_publ_author_name
'Ba̧kowicz, Julia'
'Kropidłowska, Anna'
'Turowska-Tyrk, Ilona'
'Becker, Barbara'
_publ_section_title
μ-trans-1,2-Di-4-pyridylethene-κ²N:N'-bis[(dimethylformamide-κO)bis(tri-tert-butoxysilanethiolato-κS)cadmium(II)]
_journal_coeditor_code           NG2221
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m973
_journal_page_last               m975
_journal_paper_doi               10.1107/S1600536807009452
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Cd2 (C12 H27 O3 S Si)4 (C3 H7 N O)2 (C12 H10 N2)]'
_chemical_formula_moiety         'C66 H132 Cd2 N4 O14 S4 Si4'
_chemical_formula_sum            'C66 H132 Cd2 N4 O14 S4 Si4'
_chemical_formula_weight         1671.16
_chemical_name_systematic
;
μ-trans-1,2-Di-4-pyridylethene-κ²N:N'-bis[(dimethylformamide-
\kO)bis(tri-tert-butoxysilanethiolato-\kS)cadmium(II)]
;
_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                100.539(7)
_cell_angle_beta                 94.205(7)
_cell_angle_gamma                96.145(7)
_cell_formula_units_Z            1
_cell_length_a                   9.5922(7)
_cell_length_b                   15.3340(11)
_cell_length_c                   15.7451(12)
_cell_measurement_reflns_used    3413
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      21.0
_cell_measurement_theta_min      2.8
_cell_volume                     2253.5(3)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_reduction        'CrysAlis RED'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      299(2)
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Kuma KM-4-CCD'
_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  0.0463
_diffrn_reflns_av_sigmaI/netI    0.0512
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12228
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.73
_exptl_absorpt_coefficient_mu    0.670
_exptl_absorpt_correction_T_max  0.8776
_exptl_absorpt_correction_T_min  0.7993
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             884
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.05
_refine_diff_density_min         -0.70
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     601
_refine_ls_number_reflns         7558
_refine_ls_number_restraints     573
_refine_ls_restrained_S_all      1.228
_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0558
_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)+(0.117P)²+0.2921P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1607
_refine_ls_wR_factor_ref         0.1740
_reflns_number_gt                6028
_reflns_number_total             7558
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ng2221.cif
_cod_data_source_block           I
_cod_database_code               2212968
_cod_database_fobs_code          2212968
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd Cd1 0.65692(4) 0.65667(2) 0.73992(2) 0.04930(18) Uani d . 1 . .
S S1 0.80318(16) 0.71637(10) 0.64086(10) 0.0631(4) Uani d . 1 A .
S S2 0.56972(16) 0.65531(12) 0.88081(9) 0.0671(4) Uani d . 1 B .
Si Si1 0.68545(15) 0.81089(9) 0.60255(9) 0.0465(3) Uani d D 1 . .
Si Si2 0.75107(14) 0.71105(9) 0.96091(9) 0.0450(3) Uani d . 1 . .
O O1 0.5257(5) 0.7854(4) 0.6198(6) 0.059(3) Uani d PD 0.490(8) A 1
O O2 0.7062(8) 0.8249(5) 0.5074(4) 0.063(3) Uani d PD 0.490(8) A 1
O O3 0.7297(7) 0.9136(3) 0.6636(5) 0.065(3) Uani d PD 0.490(8) A 1
C C1 0.4101(11) 0.8384(8) 0.6281(9) 0.070(6) Uani d PDU 0.490(8) A 1
C C2 0.2747(9) 0.7761(10) 0.6081(13) 0.105(6) Uani d PDU 0.490(8) A 1
H H2A 0.2682 0.7447 0.5490 0.158 Uiso calc PR 0.490(8) A 1
H H2B 0.1965 0.8099 0.6161 0.158 Uiso calc PR 0.490(8) A 1
H H2C 0.2731 0.7339 0.6463 0.158 Uiso calc PR 0.490(8) A 1
C C3 0.4161(18) 0.8893(11) 0.7190(9) 0.119(7) Uani d PDU 0.490(8) A 1
H H3A 0.5026 0.9289 0.7327 0.178 Uiso calc PR 0.490(8) A 1
H H3B 0.4117 0.8482 0.7583 0.178 Uiso calc PR 0.490(8) A 1
H H3C 0.3379 0.9234 0.7245 0.178 Uiso calc PR 0.490(8) A 1
C C4 0.4166(19) 0.9015(11) 0.5661(12) 0.124(7) Uani d PDU 0.490(8) A 1
H H4A 0.5022 0.9419 0.5800 0.186 Uiso calc PR 0.490(8) A 1
H H4B 0.3374 0.9348 0.5705 0.186 Uiso calc PR 0.490(8) A 1
H H4C 0.4145 0.8683 0.5080 0.186 Uiso calc PR 0.490(8) A 1
C C5 0.7123(13) 0.7689(7) 0.4241(6) 0.049(4) Uani d PDU 0.490(8) A 1
C C6 0.688(2) 0.8245(11) 0.3567(7) 0.108(7) Uani d PDU 0.490(8) A 1
H H6A 0.7597 0.8749 0.3662 0.163 Uiso calc PR 0.490(8) A 1
H H6B 0.5972 0.8452 0.3607 0.163 Uiso calc PR 0.490(8) A 1
H H6C 0.6913 0.7892 0.3001 0.163 Uiso calc PR 0.490(8) A 1
C C7 0.8532(12) 0.7365(10) 0.4196(10) 0.090(5) Uani d PDU 0.490(8) A 1
H H7A 0.9251 0.7867 0.4279 0.136 Uiso calc PR 0.490(8) A 1
H H7B 0.8570 0.6995 0.3638 0.136 Uiso calc PR 0.490(8) A 1
H H7C 0.8683 0.7024 0.4642 0.136 Uiso calc PR 0.490(8) A 1
C C8 0.6005(15) 0.6905(8) 0.4126(10) 0.094(5) Uani d PDU 0.490(8) A 1
H H8A 0.5097 0.7112 0.4150 0.141 Uiso calc PR 0.490(8) A 1
H H8B 0.6159 0.6575 0.4580 0.141 Uiso calc PR 0.490(8) A 1
H H8C 0.6043 0.6524 0.3574 0.141 Uiso calc PR 0.490(8) A 1
C C9 0.8463(13) 0.9822(8) 0.6675(8) 0.076(9) Uani d PDU 0.490(8) A 1
C C10 0.9766(11) 0.9410(13) 0.6471(14) 0.098(7) Uani d PDU 0.490(8) A 1
H H10A 0.9640 0.9072 0.5888 0.148 Uiso calc PR 0.490(8) A 1
H H10B 0.9954 0.9021 0.6868 0.148 Uiso calc PR 0.490(8) A 1
H H10C 1.0545 0.9871 0.6525 0.148 Uiso calc PR 0.490(8) A 1
C C11 0.812(2) 1.0401(10) 0.6042(11) 0.101(6) Uani d PDU 0.490(8) A 1
H H11A 0.8006 1.0051 0.5464 0.151 Uiso calc PR 0.490(8) A 1
H H11B 0.8871 1.0879 0.6086 0.151 Uiso calc PR 0.490(8) A 1
H H11C 0.7261 1.0646 0.6168 0.151 Uiso calc PR 0.490(8) A 1
C C12 0.8659(19) 1.0355(10) 0.7590(8) 0.125(7) Uani d PDU 0.490(8) A 1
H H12A 0.7818 1.0620 0.7720 0.187 Uiso calc PR 0.490(8) A 1
H H12B 0.9437 1.0816 0.7643 0.187 Uiso calc PR 0.490(8) A 1
H H12C 0.8846 0.9967 0.7988 0.187 Uiso calc PR 0.490(8) A 1
O O1' 0.5459(6) 0.8123(4) 0.6532(4) 0.046(2) Uani d PD 0.510(8) A 2
O O2' 0.6193(7) 0.7748(4) 0.4985(3) 0.062(2) Uani d PD 0.510(8) A 2
O O3' 0.7671(6) 0.9055(3) 0.6060(5) 0.062(2) Uani d PD 0.510(8) A 2
C C1' 0.4142(10) 0.8489(7) 0.6483(8) 0.059(5) Uani d PDU 0.510(8) A 2
C C2' 0.3160(12) 0.7910(10) 0.5754(9) 0.097(6) Uani d PDU 0.510(8) A 2
H H2'A 0.3565 0.7908 0.5214 0.146 Uiso calc PR 0.510(8) A 2
H H2'B 0.2271 0.8143 0.5727 0.146 Uiso calc PR 0.510(8) A 2
H H2'C 0.3019 0.7310 0.5858 0.146 Uiso calc PR 0.510(8) A 2
C C3' 0.3520(14) 0.8487(11) 0.7319(8) 0.105(6) Uani d PDU 0.510(8) A 2
H H3'A 0.4138 0.8862 0.7781 0.157 Uiso calc PR 0.510(8) A 2
H H3'B 0.3396 0.7888 0.7426 0.157 Uiso calc PR 0.510(8) A 2
H H3'C 0.2623 0.8710 0.7291 0.157 Uiso calc PR 0.510(8) A 2
C C4' 0.4397(14) 0.9411(6) 0.6304(11) 0.096(5) Uani d PDU 0.510(8) A 2
H H4'A 0.5018 0.9781 0.6768 0.145 Uiso calc PR 0.510(8) A 2
H H4'B 0.3518 0.9653 0.6262 0.145 Uiso calc PR 0.510(8) A 2
H H4'C 0.4819 0.9393 0.5768 0.145 Uiso calc PR 0.510(8) A 2
C C5' 0.6748(14) 0.7625(9) 0.4153(6) 0.071(5) Uani d PDU 0.510(8) A 2
C C6' 0.621(2) 0.8301(13) 0.3671(9) 0.124(7) Uani d PDU 0.510(8) A 2
H H6'A 0.6542 0.8892 0.3988 0.186 Uiso calc PR 0.510(8) A 2
H H6'B 0.5202 0.8217 0.3608 0.186 Uiso calc PR 0.510(8) A 2
H H6'C 0.6555 0.8226 0.3107 0.186 Uiso calc PR 0.510(8) A 2
C C7' 0.8318(12) 0.7753(14) 0.4264(11) 0.128(8) Uani d PDU 0.510(8) A 2
H H7'A 0.8644 0.8349 0.4570 0.193 Uiso calc PR 0.510(8) A 2
H H7'B 0.8673 0.7662 0.3704 0.193 Uiso calc PR 0.510(8) A 2
H H7'C 0.8648 0.7331 0.4588 0.193 Uiso calc PR 0.510(8) A 2
C C8' 0.623(2) 0.6702(9) 0.3672(10) 0.130(8) Uani d PDU 0.510(8) A 2
H H8'A 0.6579 0.6274 0.3981 0.195 Uiso calc PR 0.510(8) A 2
H H8'B 0.6548 0.6619 0.3103 0.195 Uiso calc PR 0.510(8) A 2
H H8'C 0.5215 0.6618 0.3622 0.195 Uiso calc PR 0.510(8) A 2
C C9' 0.8571(11) 0.9726(8) 0.6674(7) 0.067(7) Uani d PDU 0.510(8) A 2
C C10' 1.0061(9) 0.9560(12) 0.6608(11) 0.083(5) Uani d PDU 0.510(8) A 2
H H10D 1.0310 0.9595 0.6034 0.125 Uiso calc PR 0.510(8) A 2
H H10E 1.0172 0.8975 0.6721 0.125 Uiso calc PR 0.510(8) A 2
H H10F 1.0662 1.0001 0.7025 0.125 Uiso calc PR 0.510(8) A 2
C C11' 0.834(2) 1.0624(6) 0.6484(10) 0.107(6) Uani d PDU 0.510(8) A 2
H H11D 0.8590 1.0660 0.5911 0.161 Uiso calc PR 0.510(8) A 2
H H11E 0.8913 1.1081 0.6900 0.161 Uiso calc PR 0.510(8) A 2
H H11F 0.7365 1.0706 0.6519 0.161 Uiso calc PR 0.510(8) A 2
C C12' 0.8164(14) 0.9668(9) 0.7572(6) 0.085(4) Uani d PDU 0.510(8) A 2
H H12D 0.7200 0.9773 0.7609 0.128 Uiso calc PR 0.510(8) A 2
H H12E 0.8759 1.0110 0.7993 0.128 Uiso calc PR 0.510(8) A 2
H H12F 0.8275 0.9084 0.7686 0.128 Uiso calc PR 0.510(8) A 2
O O4 0.8714(4) 0.7347(4) 0.9006(3) 0.0787(14) Uani d . 1 B .
O O5 0.8141(5) 0.6416(3) 1.0155(3) 0.0854(14) Uani d . 1 B .
O O6 0.7266(5) 0.7919(3) 1.0351(3) 0.0902(15) Uani d . 1 B .
C C13 1.0216(7) 0.7565(6) 0.9126(5) 0.082(2) Uani d U 1 . .
C C14 1.0747(12) 0.7846(10) 1.0059(8) 0.160(4) Uani d U 1 B .
H H14A 1.0330 0.8363 1.0310 0.240 Uiso calc R 1 . .
H H14B 1.1753 0.7988 1.0111 0.240 Uiso calc R 1 . .
H H14C 1.0502 0.7368 1.0359 0.240 Uiso calc R 1 . .
C C15 1.0476(13) 0.8320(8) 0.8658(8) 0.157(5) Uani d U 1 B .
H H15A 1.0108 0.8130 0.8061 0.235 Uiso calc R 1 . .
H H15B 1.1470 0.8503 0.8690 0.235 Uiso calc R 1 . .
H H15C 1.0016 0.8813 0.8922 0.235 Uiso calc R 1 . .
C C16 1.0766(15) 0.6780(10) 0.8672(11) 0.193(6) Uani d U 1 B .
H H16A 1.0384 0.6651 0.8076 0.290 Uiso calc R 1 . .
H H16B 1.0503 0.6279 0.8938 0.290 Uiso calc R 1 . .
H H16C 1.1774 0.6893 0.8703 0.290 Uiso calc R 1 . .
C C17 0.7669(7) 0.5892(5) 1.0747(4) 0.0692(16) Uani d U 1 . .
C C18 0.6301(9) 0.6082(6) 1.1069(6) 0.102(3) Uani d U 1 B .
H H18A 0.6392 0.6682 1.1395 0.153 Uiso calc R 1 . .
H H18B 0.6022 0.5670 1.1436 0.153 Uiso calc R 1 . .
H H18C 0.5602 0.6016 1.0586 0.153 Uiso calc R 1 . .
C C19 0.8797(12) 0.5996(8) 1.1457(6) 0.138(4) Uani d U 1 B .
H H19A 0.8921 0.6601 1.1773 0.207 Uiso calc R 1 . .
H H19B 0.9659 0.5859 1.1220 0.207 Uiso calc R 1 . .
H H19C 0.8547 0.5597 1.1840 0.207 Uiso calc R 1 . .
C C20 0.7451(14) 0.4938(7) 1.0226(8) 0.147(4) Uani d U 1 B .
H H20A 0.6693 0.4880 0.9778 0.220 Uiso calc R 1 . .
H H20B 0.7223 0.4529 1.0604 0.220 Uiso calc R 1 . .
H H20C 0.8299 0.4805 0.9968 0.220 Uiso calc R 1 . .
C C21 0.6575(9) 0.8700(4) 1.0408(5) 0.086(2) Uani d U 1 . .
C C22 0.6728(16) 0.9066(8) 0.9616(9) 0.163(5) Uani d U 1 B .
H H22A 0.7710 0.9212 0.9556 0.245 Uiso calc R 1 . .
H H22B 0.6268 0.9596 0.9654 0.245 Uiso calc R 1 . .
H H22C 0.6307 0.8631 0.9122 0.245 Uiso calc R 1 . .
C C23 0.5090(12) 0.8449(8) 1.0570(9) 0.152(4) Uani d U 1 B .
H H23A 0.4613 0.8045 1.0070 0.228 Uiso calc R 1 . .
H H23B 0.4624 0.8976 1.0680 0.228 Uiso calc R 1 . .
H H23C 0.5075 0.8164 1.1064 0.228 Uiso calc R 1 . .
C C24 0.7355(16) 0.9323(8) 1.1168(9) 0.182(5) Uani d U 1 B .
H H24A 0.8318 0.9454 1.1055 0.273 Uiso calc R 1 . .
H H24B 0.7324 0.9052 1.1671 0.273 Uiso calc R 1 . .
H H24C 0.6929 0.9867 1.1271 0.273 Uiso calc R 1 . .
O O7 0.7443(5) 0.5108(3) 0.7116(3) 0.0715(11) Uani d . 1 B .
N N2 0.7519(5) 0.3743(3) 0.7467(3) 0.0661(13) Uani d U 1 B .
C C25 0.7198(7) 0.4561(4) 0.7586(4) 0.0673(15) Uani d U 1 . .
H H25A 0.6739 0.4749 0.8075 0.081 Uiso calc R 1 B .
C C26 0.8238(9) 0.3412(5) 0.6725(5) 0.093(2) Uani d U 1 . .
H H26A 0.8560 0.3900 0.6454 0.139 Uiso calc R 1 B .
H H26B 0.7604 0.2980 0.6317 0.139 Uiso calc R 1 . .
H H26C 0.9030 0.3136 0.6908 0.139 Uiso calc R 1 . .
C C27 0.7149(10) 0.3139(5) 0.8030(6) 0.099(2) Uani d U 1 . .
H H27A 0.6435 0.3360 0.8379 0.148 Uiso calc R 1 B .
H H27B 0.7966 0.3090 0.8400 0.148 Uiso calc R 1 . .
H H27C 0.6796 0.2562 0.7689 0.148 Uiso calc R 1 . .
N N1 0.4323(9) 0.5924(9) 0.6677(7) 0.055(5) Uani d PGU 0.50 B 3
C C28 0.4136(8) 0.5709(9) 0.5776(7) 0.042(3) Uani d PGU 0.50 B 3
H H28 0.4911 0.5737 0.5456 0.051 Uiso calc PR 0.50 B 3
C C29 0.2791(9) 0.5450(8) 0.5354(5) 0.049(3) Uani d PGDU 0.50 B 3
H H29 0.2666 0.5306 0.4751 0.059 Uiso calc PR 0.50 B 3
C C30 0.1633(8) 0.5408(5) 0.5833(4) 0.053(3) Uani d PGDU 0.50 B 3
C C31 0.1820(10) 0.5623(8) 0.6734(4) 0.081(5) Uani d PGDU 0.50 B 3
H H31 0.1045 0.5595 0.7054 0.098 Uiso calc PR 0.50 B 3
C C32 0.3165(11) 0.5881(10) 0.7156(5) 0.087(6) Uani d PGU 0.50 B 3
H H32 0.3290 0.6026 0.7759 0.105 Uiso calc PR 0.50 B 3
C C33 0.0178(10) 0.5147(7) 0.5411(4) 0.061(3) Uani d PDU 0.50 . 3
H H33 -0.0549 0.5198 0.5770 0.073 Uiso calc PR 0.50 . 3
N N1' 0.4453(7) 0.5871(9) 0.6562(6) 0.050(5) Uani d PGU 0.50 B 4
C C28' 0.4480(6) 0.5741(10) 0.5667(7) 0.065(5) Uani d PGU 0.50 B 4
H H28' 0.5324 0.5855 0.5429 0.077 Uiso calc PR 0.50 B 4
C C29' 0.3244(7) 0.5439(8) 0.5127(5) 0.046(3) Uani d PGDU 0.50 B 4
H H29' 0.3262 0.5352 0.4527 0.055 Uiso calc PR 0.50 B 4
C C30' 0.1983(6) 0.5268(4) 0.5482(4) 0.037(2) Uani d PGDU 0.50 B 4
C C31' 0.1956(7) 0.5398(6) 0.6378(4) 0.051(3) Uani d PGDU 0.50 B 4
H H31' 0.1112 0.5283 0.6616 0.061 Uiso calc PR 0.50 B 4
C C32' 0.3192(9) 0.5700(8) 0.6918(4) 0.045(3) Uani d PGU 0.50 B 4
H H32' 0.3174 0.5787 0.7517 0.053 Uiso calc PR 0.50 B 4
C C33' 0.0662(5) 0.4951(6) 0.4900(5) 0.042(2) Uani d PDU 0.50 . 4
H H33' 0.0760 0.4656 0.4341 0.051 Uiso calc PR 0.50 . 4
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'
O O 0.0106 0.0060 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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_site_symmetry_1
_geom_angle
_geom_angle_publ_flag
N1' Cd1 N1 . 5.7(5) ?
N1' Cd1 S1 . 106.2(3) yes
N1 Cd1 S1 . 110.5(3) yes
N1' Cd1 S2 . 96.2(3) yes
N1 Cd1 S2 . 91.1(3) yes
S1 Cd1 S2 . 154.11(6) yes
N1' Cd1 O7 . 87.3(3) yes
N1 Cd1 O7 . 90.7(3) yes
S1 Cd1 O7 . 93.35(11) yes
S2 Cd1 O7 . 100.64(11) yes
Si1 S1 Cd1 . 101.80(7) yes
Si2 S2 Cd1 . 99.78(7) yes
O3' Si1 O2 . 70.6(3) ?
O3' Si1 O1 . 128.7(3) ?
O2 Si1 O1 . 114.5(3) ?
O3' Si1 O1' . 114.0(3) ?
O2 Si1 O1' . 129.5(3) ?
O1 Si1 O1' . 22.0(3) ?
O3' Si1 O3 . 35.3(3) ?
O2 Si1 O3 . 103.8(3) ?
O1 Si1 O3 . 103.8(3) ?
O1' Si1 O3 . 83.8(3) ?
O3' Si1 O2' . 105.6(3) ?
O2 Si1 O2' . 37.6(3) ?
O1 Si1 O2' . 82.2(4) ?
O1' Si1 O2' . 102.5(3) ?
O3 Si1 O2' . 132.7(3) ?
O3' Si1 S1 . 116.0(2) ?
O2 Si1 S1 . 113.2(2) ?
O1 Si1 S1 . 108.12(19) ?
O1' Si1 S1 . 108.70(18) ?
O3 Si1 S1 . 113.0(2) ?
O2' Si1 S1 . 109.1(2) ?
O6 Si2 O4 . 114.4(3) ?
O6 Si2 O5 . 102.7(3) ?
O4 Si2 O5 . 104.9(2) ?
O6 Si2 S2 . 113.5(2) ?
O4 Si2 S2 . 107.96(18) ?
O5 Si2 S2 . 112.9(2) ?
C1 O1 Si1 . 131.0(6) ?
C5 O2 Si1 . 136.7(6) ?
C9 O3 Si1 . 133.6(7) ?
O1 C1 C3 . 109.8(8) ?
O1 C1 C4 . 110.0(8) ?
C3 C1 C4 . 110.1(9) ?
O1 C1 C2 . 108.2(7) ?
C3 C1 C2 . 108.8(8) ?
C4 C1 C2 . 109.8(9) ?
C1 C2 H2A . 109.5 ?
C1 C2 H2B . 109.5 ?
H2A C2 H2B . 109.5 ?
C1 C2 H2C . 109.5 ?
H2A C2 H2C . 109.5 ?
H2B C2 H2C . 109.5 ?
C1 C3 H3A . 109.5 ?
C1 C3 H3B . 109.5 ?
H3A C3 H3B . 109.5 ?
C1 C3 H3C . 109.5 ?
H3A C3 H3C . 109.5 ?
H3B C3 H3C . 109.5 ?
C1 C4 H4A . 109.5 ?
C1 C4 H4B . 109.5 ?
H4A C4 H4B . 109.5 ?
C1 C4 H4C . 109.5 ?
H4A C4 H4C . 109.5 ?
H4B C4 H4C . 109.5 ?
O2 C5 C7 . 109.8(8) ?
O2 C5 C8 . 108.9(7) ?
C7 C5 C8 . 109.4(8) ?
O2 C5 C6 . 107.2(7) ?
C7 C5 C6 . 110.5(8) ?
C8 C5 C6 . 111.0(8) ?
C5 C6 H6A . 109.5 ?
C5 C6 H6B . 109.5 ?
H6A C6 H6B . 109.5 ?
C5 C6 H6C . 109.5 ?
H6A C6 H6C . 109.5 ?
H6B C6 H6C . 109.5 ?
C5 C7 H7A . 109.5 ?
C5 C7 H7B . 109.5 ?
H7A C7 H7B . 109.5 ?
C5 C7 H7C . 109.5 ?
H7A C7 H7C . 109.5 ?
H7B C7 H7C . 109.5 ?
C5 C8 H8A . 109.5 ?
C5 C8 H8B . 109.5 ?
H8A C8 H8B . 109.5 ?
C5 C8 H8C . 109.5 ?
H8A C8 H8C . 109.5 ?
H8B C8 H8C . 109.5 ?
O3 C9 C10 . 110.2(8) ?
O3 C9 C11 . 109.0(7) ?
C10 C9 C11 . 110.3(9) ?
O3 C9 C12 . 107.0(7) ?
C10 C9 C12 . 109.6(8) ?
C11 C9 C12 . 110.7(9) ?
C9 C10 H10A . 109.5 ?
C9 C10 H10B . 109.5 ?
H10A C10 H10B . 109.5 ?
C9 C10 H10C . 109.5 ?
H10A C10 H10C . 109.5 ?
H10B C10 H10C . 109.5 ?
C9 C11 H11A . 109.5 ?
C9 C11 H11B . 109.5 ?
H11A C11 H11B . 109.5 ?
C9 C11 H11C . 109.5 ?
H11A C11 H11C . 109.5 ?
H11B C11 H11C . 109.5 ?
C9 C12 H12A . 109.5 ?
C9 C12 H12B . 109.5 ?
H12A C12 H12B . 109.5 ?
C9 C12 H12C . 109.5 ?
H12A C12 H12C . 109.5 ?
H12B C12 H12C . 109.5 ?
C1' O1' Si1 . 137.7(6) ?
C5' O2' Si1 . 136.1(7) ?
C9' O3' Si1 . 138.3(7) ?
O1' C1' C3' . 108.3(7) ?
O1' C1' C4' . 109.3(7) ?
C3' C1' C4' . 111.4(8) ?
O1' C1' C2' . 109.1(7) ?
C3' C1' C2' . 109.5(8) ?
C4' C1' C2' . 109.3(8) ?
C1' C2' H2'A . 109.5 ?
C1' C2' H2'B . 109.5 ?
H2'A C2' H2'B . 109.5 ?
C1' C2' H2'C . 109.5 ?
H2'A C2' H2'C . 109.5 ?
H2'B C2' H2'C . 109.5 ?
C1' C3' H3'A . 109.5 ?
C1' C3' H3'B . 109.5 ?
H3'A C3' H3'B . 109.5 ?
C1' C3' H3'C . 109.5 ?
H3'A C3' H3'C . 109.5 ?
H3'B C3' H3'C . 109.5 ?
C1' C4' H4'A . 109.5 ?
C1' C4' H4'B . 109.5 ?
H4'A C4' H4'B . 109.5 ?
C1' C4' H4'C . 109.5 ?
H4'A C4' H4'C . 109.5 ?
H4'B C4' H4'C . 109.5 ?
O2' C5' C7' . 110.4(8) ?
O2' C5' C8' . 108.5(8) ?
C7' C5' C8' . 110.1(9) ?
O2' C5' C6' . 107.7(7) ?
C7' C5' C6' . 110.1(9) ?
C8' C5' C6' . 110.0(9) ?
C5' C6' H6'A . 109.5 ?
C5' C6' H6'B . 109.5 ?
H6'A C6' H6'B . 109.5 ?
C5' C6' H6'C . 109.5 ?
H6'A C6' H6'C . 109.5 ?
H6'B C6' H6'C . 109.5 ?
C5' C7' H7'A . 109.5 ?
C5' C7' H7'B . 109.5 ?
H7'A C7' H7'B . 109.5 ?
C5' C7' H7'C . 109.5 ?
H7'A C7' H7'C . 109.5 ?
H7'B C7' H7'C . 109.5 ?
C5' C8' H8'A . 109.5 ?
C5' C8' H8'B . 109.5 ?
H8'A C8' H8'B . 109.5 ?
C5' C8' H8'C . 109.5 ?
H8'A C8' H8'C . 109.5 ?
H8'B C8' H8'C . 109.5 ?
O3' C9' C10' . 109.4(8) ?
O3' C9' C11' . 108.4(8) ?
C10' C9' C11' . 111.4(8) ?
O3' C9' C12' . 108.2(7) ?
C10' C9' C12' . 110.0(8) ?
C11' C9' C12' . 109.3(8) ?
C9' C10' H10D . 109.5 ?
C9' C10' H10E . 109.5 ?
H10D C10' H10E . 109.5 ?
C9' C10' H10F . 109.5 ?
H10D C10' H10F . 109.5 ?
H10E C10' H10F . 109.5 ?
C9' C11' H11D . 109.5 ?
C9' C11' H11E . 109.5 ?
H11D C11' H11E . 109.5 ?
C9' C11' H11F . 109.5 ?
H11D C11' H11F . 109.5 ?
H11E C11' H11F . 109.5 ?
C9' C12' H12D . 109.5 ?
C9' C12' H12E . 109.5 ?
H12D C12' H12E . 109.5 ?
C9' C12' H12F . 109.5 ?
H12D C12' H12F . 109.5 ?
H12E C12' H12F . 109.5 ?
C13 O4 Si2 . 135.4(4) ?
C17 O5 Si2 . 137.3(4) ?
C21 O6 Si2 . 136.7(5) ?
O4 C13 C16 . 105.0(8) ?
O4 C13 C14 . 112.2(7) ?
C16 C13 C14 . 114.8(10) ?
O4 C13 C15 . 103.5(7) ?
C16 C13 C15 . 109.9(10) ?
C14 C13 C15 . 110.7(9) ?
C13 C14 H14A . 109.5 ?
C13 C14 H14B . 109.5 ?
H14A C14 H14B . 109.5 ?
C13 C14 H14C . 109.5 ?
H14A C14 H14C . 109.5 ?
H14B C14 H14C . 109.5 ?
C13 C15 H15A . 109.5 ?
C13 C15 H15B . 109.5 ?
H15A C15 H15B . 109.5 ?
C13 C15 H15C . 109.5 ?
H15A C15 H15C . 109.5 ?
H15B C15 H15C . 109.5 ?
C13 C16 H16A . 109.5 ?
C13 C16 H16B . 109.5 ?
H16A C16 H16B . 109.5 ?
C13 C16 H16C . 109.5 ?
H16A C16 H16C . 109.5 ?
H16B C16 H16C . 109.5 ?
O5 C17 C19 . 107.6(6) ?
O5 C17 C18 . 114.6(6) ?
C19 C17 C18 . 112.3(7) ?
O5 C17 C20 . 104.3(7) ?
C19 C17 C20 . 110.8(9) ?
C18 C17 C20 . 107.0(8) ?
C17 C18 H18A . 109.5 ?
C17 C18 H18B . 109.5 ?
H18A C18 H18B . 109.5 ?
C17 C18 H18C . 109.5 ?
H18A C18 H18C . 109.5 ?
H18B C18 H18C . 109.5 ?
C17 C19 H19A . 109.5 ?
C17 C19 H19B . 109.5 ?
H19A C19 H19B . 109.5 ?
C17 C19 H19C . 109.5 ?
H19A C19 H19C . 109.5 ?
H19B C19 H19C . 109.5 ?
C17 C20 H20A . 109.5 ?
C17 C20 H20B . 109.5 ?
H20A C20 H20B . 109.5 ?
C17 C20 H20C . 109.5 ?
H20A C20 H20C . 109.5 ?
H20B C20 H20C . 109.5 ?
O6 C21 C22 . 109.2(7) ?
O6 C21 C24 . 103.8(8) ?
C22 C21 C24 . 110.2(10) ?
O6 C21 C23 . 107.5(7) ?
C22 C21 C23 . 114.3(10) ?
C24 C21 C23 . 111.3(10) ?
C21 C22 H22A . 109.5 ?
C21 C22 H22B . 109.5 ?
H22A C22 H22B . 109.5 ?
C21 C22 H22C . 109.5 ?
H22A C22 H22C . 109.5 ?
H22B C22 H22C . 109.5 ?
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 ?
C25 O7 Cd1 . 120.9(4) ?
C25 N2 C27 . 122.9(6) ?
C25 N2 C26 . 119.5(6) ?
C27 N2 C26 . 117.5(6) ?
O7 C25 N2 . 126.5(6) ?
O7 C25 H25A . 116.7 ?
N2 C25 H25A . 116.7 ?
N2 C26 H26A . 109.5 ?
N2 C26 H26B . 109.5 ?
H26A C26 H26B . 109.5 ?
N2 C26 H26C . 109.5 ?
H26A C26 H26C . 109.5 ?
H26B C26 H26C . 109.5 ?
N2 C27 H27A . 109.5 ?
N2 C27 H27B . 109.5 ?
H27A C27 H27B . 109.5 ?
N2 C27 H27C . 109.5 ?
H27A C27 H27C . 109.5 ?
H27B C27 H27C . 109.5 ?
C28 N1 C32 . 120.0 ?
C28 N1 Cd1 . 120.2(5) ?
C32 N1 Cd1 . 119.2(5) ?
C29 C28 N1 . 120.0 ?
C29 C28 H28 . 120.0 ?
N1 C28 H28 . 120.0 ?
C30 C29 C28 . 120.0 ?
C30 C29 H29 . 120.0 ?
C28 C29 H29 . 120.0 ?
C31 C30 C29 . 120.0 ?
C31 C30 C33 . 118.1(4) ?
C29 C30 C33 . 121.9(4) ?
C30 C31 C32 . 120.0 ?
C30 C31 H31 . 120.0 ?
C32 C31 H31 . 120.0 ?
C31 C32 N1 . 120.0 ?
C31 C32 H32 . 120.0 ?
N1 C32 H32 . 120.0 ?
C33 C33 C30 2_566 126.2(11) ?
C33 C33 H33 2_566 116.9 ?
C30 C33 H33 . 116.9 ?
C28' N1' C32' . 120.0 ?
C28' N1' Cd1 . 116.1(5) ?
C32' N1' Cd1 . 123.4(5) ?
N1' C28' C29' . 120.0 ?
N1' C28' H28' . 120.0 ?
C29' C28' H28' . 120.0 ?
C28' C29' C30' . 120.0 ?
C28' C29' H29' . 120.0 ?
C30' C29' H29' . 120.0 ?
C29' C30' C31' . 120.0 ?
C29' C30' C33' . 119.7(4) ?
C31' C30' C33' . 120.3(4) ?
C32' C31' C30' . 120.0 ?
C32' C31' H31' . 120.0 ?
C30' C31' H31' . 120.0 ?
C31' C32' N1' . 120.0 ?
C31' C32' H32' . 120.0 ?
N1' C32' H32' . 120.0 ?
C33' C33' C30' 2_566 126.7(9) ?
C33' C33' H33' 2_566 116.7 ?
C30' C33' H33' . 116.7 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cd1 N1' . 2.371(6) yes
Cd1 N1 . 2.384(7) yes
Cd1 S1 . 2.4098(15) yes
Cd1 S2 . 2.4304(15) yes
Cd1 O7 . 2.449(4) yes
S1 Si1 . 2.076(2) yes
S2 Si2 . 2.0768(19) yes
Si1 O3' . 1.563(5) yes
Si1 O2 . 1.576(5) yes
Si1 O1 . 1.595(5) yes
Si1 O1' . 1.607(5) yes
Si1 O3 . 1.682(5) yes
Si1 O2' . 1.684(5) yes
Si2 O6 . 1.590(4) yes
Si2 O4 . 1.601(4) yes
Si2 O5 . 1.623(5) yes
O1 C1 . 1.443(8) ?
O2 C5 . 1.439(8) ?
O3 C9 . 1.439(9) ?
C1 C3 . 1.493(10) ?
C1 C4 . 1.495(10) ?
C1 C2 . 1.505(10) ?
C2 H2A . 0.9600 ?
C2 H2B . 0.9600 ?
C2 H2C . 0.9600 ?
C3 H3A . 0.9600 ?
C3 H3B . 0.9600 ?
C3 H3C . 0.9600 ?
C4 H4A . 0.9600 ?
C4 H4B . 0.9600 ?
C4 H4C . 0.9600 ?
C5 C7 . 1.491(10) ?
C5 C8 . 1.498(10) ?
C5 C6 . 1.500(9) ?
C6 H6A . 0.9600 ?
C6 H6B . 0.9600 ?
C6 H6C . 0.9600 ?
C7 H7A . 0.9600 ?
C7 H7B . 0.9600 ?
C7 H7C . 0.9600 ?
C8 H8A . 0.9600 ?
C8 H8B . 0.9600 ?
C8 H8C . 0.9600 ?
C9 C10 . 1.490(10) ?
C9 C11 . 1.494(10) ?
C9 C12 . 1.507(10) ?
C10 H10A . 0.9600 ?
C10 H10B . 0.9600 ?
C10 H10C . 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 ?
O1' C1' . 1.438(8) ?
O2' C5' . 1.438(9) ?
O3' C9' . 1.436(8) ?
C1' C3' . 1.485(10) ?
C1' C4' . 1.490(9) ?
C1' C2' . 1.511(10) ?
C2' H2'A . 0.9600 ?
C2' H2'B . 0.9600 ?
C2' H2'C . 0.9600 ?
C3' H3'A . 0.9600 ?
C3' H3'B . 0.9600 ?
C3' H3'C . 0.9600 ?
C4' H4'A . 0.9600 ?
C4' H4'B . 0.9600 ?
C4' H4'C . 0.9600 ?
C5' C7' . 1.491(10) ?
C5' C8' . 1.493(10) ?
C5' C6' . 1.504(10) ?
C6' H6'A . 0.9600 ?
C6' H6'B . 0.9600 ?
C6' H6'C . 0.9600 ?
C7' H7'A . 0.9600 ?
C7' H7'B . 0.9600 ?
C7' H7'C . 0.9600 ?
C8' H8'A . 0.9600 ?
C8' H8'B . 0.9600 ?
C8' H8'C . 0.9600 ?
C9' C10' . 1.485(10) ?
C9' C11' . 1.497(10) ?
C9' C12' . 1.511(10) ?
C10' H10D . 0.9600 ?
C10' H10E . 0.9600 ?
C10' H10F . 0.9600 ?
C11' H11D . 0.9600 ?
C11' H11E . 0.9600 ?
C11' H11F . 0.9600 ?
C12' H12D . 0.9600 ?
C12' H12E . 0.9600 ?
C12' H12F . 0.9600 ?
O4 C13 . 1.434(8) ?
O5 C17 . 1.406(7) ?
O6 C21 . 1.422(9) ?
C13 C16 . 1.454(15) ?
C13 C14 . 1.488(13) ?
C13 C15 . 1.491(12) ?
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 H16A . 0.9600 ?
C16 H16B . 0.9600 ?
C16 H16C . 0.9600 ?
C17 C19 . 1.471(11) ?
C17 C18 . 1.479(10) ?
C17 C20 . 1.526(13) ?
C18 H18A . 0.9600 ?
C18 H18B . 0.9600 ?
C18 H18C . 0.9600 ?
C19 H19A . 0.9600 ?
C19 H19B . 0.9600 ?
C19 H19C . 0.9600 ?
C20 H20A . 0.9600 ?
C20 H20B . 0.9600 ?
C20 H20C . 0.9600 ?
C21 C22 . 1.469(14) ?
C21 C24 . 1.485(14) ?
C21 C23 . 1.488(13) ?
C22 H22A . 0.9600 ?
C22 H22B . 0.9600 ?
C22 H22C . 0.9600 ?
C23 H23A . 0.9600 ?
C23 H23B . 0.9600 ?
C23 H23C . 0.9600 ?
C24 H24A . 0.9600 ?
C24 H24B . 0.9600 ?
C24 H24C . 0.9600 ?
O7 C25 . 1.230(7) ?
N2 C25 . 1.307(8) ?
N2 C27 . 1.431(8) ?
N2 C26 . 1.441(9) ?
C25 H25A . 0.9300 ?
C26 H26A . 0.9600 ?
C26 H26B . 0.9600 ?
C26 H26C . 0.9600 ?
C27 H27A . 0.9600 ?
C27 H27B . 0.9600 ?
C27 H27C . 0.9600 ?
N1 C28 . 1.3900 ?
N1 C32 . 1.3900 ?
C28 C29 . 1.3900 ?
C28 H28 . 0.9300 ?
C29 C30 . 1.3900 ?
C29 H29 . 0.9300 ?
C30 C31 . 1.3900 ?
C30 C33 . 1.482(7) ?
C31 C32 . 1.3900 ?
C31 H31 . 0.9300 ?
C32 H32 . 0.9300 ?
C33 C33 2_566 1.297(10) ?
C33 H33 . 0.9300 ?
N1' C28' . 1.3900 ?
N1' C32' . 1.3900 ?
C28' C29' . 1.3900 ?
C28' H28' . 0.9300 ?
C29' C30' . 1.3900 ?
C29' H29' . 0.9300 ?
C30' C31' . 1.3900 ?
C30' C33' . 1.489(6) ?
C31' C32' . 1.3900 ?
C31' H31' . 0.9300 ?
C32' H32' . 0.9300 ?
C33' C33' 2_566 1.347(10) ?
C33' H33' . 0.9300 ?
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_site_symmetry_4
_geom_torsion
N1' Cd1 S1 Si1 . 63.9(3)
N1 Cd1 S1 Si1 . 60.1(4)
S2 Cd1 S1 Si1 . -84.99(15)
O7 Cd1 S1 Si1 . 152.05(13)
N1' Cd1 S2 Si2 . 177.9(3)
N1 Cd1 S2 Si2 . -179.7(3)
S1 Cd1 S2 Si2 . -32.12(17)
O7 Cd1 S2 Si2 . 89.43(13)
Cd1 S1 Si1 O3' . 131.6(3)
Cd1 S1 Si1 O2 . -149.5(3)
Cd1 S1 Si1 O1 . -21.6(4)
Cd1 S1 Si1 O1' . 1.6(3)
Cd1 S1 Si1 O3 . 92.7(3)
Cd1 S1 Si1 O2' . -109.4(3)
Cd1 S2 Si2 O6 . 129.5(2)
Cd1 S2 Si2 O4 . 1.5(2)
Cd1 S2 Si2 O5 . -114.0(2)
O3' Si1 O1 C1 . 11.8(11)
O2 Si1 O1 C1 . -72.3(10)
O1' Si1 O1 C1 . 65.3(9)
O3 Si1 O1 C1 . 40.2(10)
O2' Si1 O1 C1 . -91.9(9)
S1 Si1 O1 C1 . 160.5(8)
O3' Si1 O2 C5 . 155.2(9)
O1 Si1 O2 C5 . -80.2(10)
O1' Si1 O2 C5 . -99.3(9)
O3 Si1 O2 C5 . 167.4(9)
O2' Si1 O2 C5 . -47.1(9)
S1 Si1 O2 C5 . 44.4(10)
O3' Si1 O3 C9 . -26.8(9)
O2 Si1 O3 C9 . -46.9(10)
O1 Si1 O3 C9 . -166.9(9)
O1' Si1 O3 C9 . -176.1(9)
O2' Si1 O3 C9 . -74.9(10)
S1 Si1 O3 C9 . 76.2(9)
Si1 O1 C1 C3 . -83.9(13)
Si1 O1 C1 C4 . 37.5(14)
Si1 O1 C1 C2 . 157.5(11)
Si1 O2 C5 C7 . -78.0(12)
Si1 O2 C5 C8 . 41.7(13)
Si1 O2 C5 C6 . 161.9(9)
Si1 O3 C9 C10 . -33.2(13)
Si1 O3 C9 C11 . 87.9(11)
Si1 O3 C9 C12 . -152.3(9)
O3' Si1 O1' C1' . 61.2(10)
O2 Si1 O1' C1' . -22.8(11)
O1 Si1 O1' C1' . -75.5(9)
O3 Si1 O1' C1' . 80.0(10)
O2' Si1 O1' C1' . -52.4(10)
S1 Si1 O1' C1' . -167.7(9)
O3' Si1 O2' C5' . 54.9(10)
O2 Si1 O2' C5' . 33.1(10)
O1 Si1 O2' C5' . -177.0(9)
O1' Si1 O2' C5' . 174.4(9)
O3 Si1 O2' C5' . 81.4(10)
S1 Si1 O2' C5' . -70.5(10)
O2 Si1 O3' C9' . -159.9(10)
O1 Si1 O3' C9' . 93.9(10)
O1' Si1 O3' C9' . 74.6(10)
O3 Si1 O3' C9' . 40.9(10)
O2' Si1 O3' C9' . -173.7(9)
S1 Si1 O3' C9' . -52.8(10)
Si1 O1' C1' C3' . -162.5(10)
Si1 O1' C1' C4' . -41.0(14)
Si1 O1' C1' C2' . 78.4(13)
Si1 O2' C5' C7' . 8.6(14)
Si1 O2' C5' C8' . 129.3(11)
Si1 O2' C5' C6' . -111.6(12)
Si1 O3' C9' C10' . 90.0(12)
Si1 O3' C9' C11' . -148.3(10)
Si1 O3' C9' C12' . -29.8(14)
O6 Si2 O4 C13 . 67.6(8)
O5 Si2 O4 C13 . -44.2(8)
S2 Si2 O4 C13 . -164.9(7)
O6 Si2 O5 C17 . 65.3(8)
O4 Si2 O5 C17 . -174.8(7)
S2 Si2 O5 C17 . -57.4(8)
O4 Si2 O6 C21 . 78.1(7)
O5 Si2 O6 C21 . -168.8(7)
S2 Si2 O6 C21 . -46.5(8)
Si2 O4 C13 C16 . 108.0(10)
Si2 O4 C13 C14 . -17.4(12)
Si2 O4 C13 C15 . -136.8(8)
Si2 O5 C17 C19 . -135.6(8)
Si2 O5 C17 C18 . -9.9(11)
Si2 O5 C17 C20 . 106.7(9)
Si2 O6 C21 C22 . -35.6(12)
Si2 O6 C21 C24 . -153.2(8)
Si2 O6 C21 C23 . 88.8(10)
N1' Cd1 O7 C25 . -86.6(5)
N1 Cd1 O7 C25 . -82.1(6)
S1 Cd1 O7 C25 . 167.3(5)
S2 Cd1 O7 C25 . 9.2(5)
Cd1 O7 C25 N2 . 174.8(5)
C27 N2 C25 O7 . -177.6(7)
C26 N2 C25 O7 . 0.4(10)
N1' Cd1 N1 C28 . -22(6)
S1 Cd1 N1 C28 . 17.6(7)
S2 Cd1 N1 C28 . -176.9(6)
O7 Cd1 N1 C28 . -76.2(6)
N1' Cd1 N1 C32 . 166(7)
S1 Cd1 N1 C32 . -153.6(5)
S2 Cd1 N1 C32 . 11.9(5)
O7 Cd1 N1 C32 . 112.6(5)
C32 N1 C28 C29 . 0.0
Cd1 N1 C28 C29 . -171.1(7)
N1 C28 C29 C30 . 0.0
C28 C29 C30 C31 . 0.0
C28 C29 C30 C33 . 179.3(3)
C29 C30 C31 C32 . 0.0
C33 C30 C31 C32 . -179.3(3)
C30 C31 C32 N1 . 0.0
C28 N1 C32 C31 . 0.0
Cd1 N1 C32 C31 . 171.2(7)
C31 C30 C33 C33 2_566 -173.7(13)
C29 C30 C33 C33 2_566 7.0(14)
N1 Cd1 N1' C28' . 154(7)
S1 Cd1 N1' C28' . 13.0(5)
S2 Cd1 N1' C28' . 179.9(4)
O7 Cd1 N1' C28' . -79.7(4)
N1 Cd1 N1' C32' . -18(6)
S1 Cd1 N1' C32' . -158.9(6)
S2 Cd1 N1' C32' . 8.0(7)
O7 Cd1 N1' C32' . 108.4(7)
C32' N1' C28' C29' . 0.0
Cd1 N1' C28' C29' . -172.2(7)
N1' C28' C29' C30' . 0.0
C28' C29' C30' C31' . 0.0
C28' C29' C30' C33' . 179.5(3)
C29' C30' C31' C32' . 0.0
C33' C30' C31' C32' . -179.5(3)
C30' C31' C32' N1' . 0.0
C28' N1' C32' C31' . 0.0
Cd1 N1' C32' C31' . 171.6(7)
C29' C30' C33' C33' 2_566 -155.1(12)
C31' C30' C33' C33' 2_566 24.5(13)
