#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:53:20 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179429 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/26/4332638.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# 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_4332638
loop_
_publ_author_name
'White, Rosemary E.'
'Carlson, Christin N.'
'Veauthier, Jacqueline M.'
'Simpson, Cheslan K.'
'Thompson, J. D.'
'Scott, Brian L.'
'Hanusa, Timothy P.'
'John, Kevin D.'
_publ_section_title
;
 Observation of Internal Electron Transfer in Bulky Allyl Ytterbium
 Complexes with Substituted Terpyridine Ligands
;
_journal_issue                   17
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7004
_journal_page_last               7009
_journal_paper_doi               10.1021/ic060603x
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C52 H58 O Si4 Yb'
_chemical_formula_weight         984.38
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_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                 109.610(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.952(4)
_cell_length_b                   17.643(4)
_cell_length_c                   20.902(5)
_cell_measurement_temperature    203(2)
_cell_volume                     5541(2)
_computing_cell_refinement       'SAINT 4.05  (Bruker, 1996)'
_computing_data_collection       'SMART 4.210 (Bruker, 1996)'
_computing_data_reduction        'SAINT 4.05  (Bruker, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker P4 with 1k CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0521
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            14587
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.78
_diffrn_standards_decay_%        '< 2'
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.805
_exptl_absorpt_correction_T_max  0.8401
_exptl_absorpt_correction_T_min  0.5627
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_density_diffrn    1.180
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2016
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.381
_refine_diff_density_min         -4.649
_refine_diff_density_rms         0.226
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.453
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         4976
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      5.805
_refine_ls_R_factor_all          0.1088
_refine_ls_R_factor_gt           0.1019
_refine_ls_shift/su_max          0.149
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0982P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3097
_refine_ls_wR_factor_ref         0.3117
_reflns_number_gt                4520
_reflns_number_total             4976
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060603xsup2.cif
_cod_data_source_block           ccd814
_cod_original_cell_volume        5542(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4332638
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
Yb1 Yb 0.5000 0.19185(3) 0.2500 0.04483(14) Uani 1 2 d S
Si1 Si 0.7793(3) 0.1579(3) 0.3044(2) 0.0539(14) Uani 0.50 1 d PD
Si2 Si 0.5122(3) -0.0213(3) 0.3349(2) 0.0419(12) Uani 0.50 1 d P
Si3 Si 0.5152(3) 0.4111(3) 0.3367(2) 0.0432(12) Uani 0.50 1 d P
Si3' Si 0.4161(4) 0.3088(3) 0.3910(3) 0.0682(18) Uani 0.50 1 d PD
O1 O 0.4893(9) 0.1533(7) 0.3576(6) 0.100(7) Uani 0.50 1 d PD
C1 C 0.7684(16) 0.1974(9) 0.2208(5) 0.283(17) Uani 0.50 1 d PD
C2 C 0.795(2) 0.0530(5) 0.3013(11) 0.17(2) Uani 0.50 1 d PD
C3 C 0.8722(12) 0.1972(8) 0.3737(7) 0.101(12) Uani 0.50 1 d PD
C4 C 0.6653(7) 0.1615(6) 0.3081(7) 0.030(3) Uani 0.50 1 d PU
C5 C 0.6244(11) 0.0903(9) 0.3174(7) 0.042(4) Uani 0.50 1 d P
C6 C 0.5467(10) 0.0756(10) 0.3358(8) 0.045(4) Uani 0.50 1 d P
C7 C 0.6724(6) -0.0480(5) 0.4463(4) 0.067(6) Uani 0.50 1 d PG
C8 C 0.5967(7) -0.0811(6) 0.4010(6) 0.046(4) Uani 0.50 1 d PG
C9 C 0.5808(9) -0.1580(6) 0.4057(8) 0.057(6) Uani 0.50 1 d PG
C10 C 0.6407(11) -0.2018(5) 0.4558(8) 0.089(10) Uani 0.50 1 d PG
C11 C 0.7164(10) -0.1686(6) 0.5011(7) 0.072(8) Uani 0.50 1 d PG
C12 C 0.7323(7) -0.0917(6) 0.4964(5) 0.088(10) Uani 0.50 1 d PG
C13 C 0.4068(6) -0.0309(7) 0.3578(6) 0.062(6) Uani 0.50 1 d PG
C14 C 0.3475(9) -0.0905(9) 0.3344(10) 0.083(9) Uani 0.50 1 d PG
C15 C 0.2740(11) -0.0972(13) 0.3556(14) 0.228(17) Uani 0.50 1 d PG
C16 C 0.2599(12) -0.0443(16) 0.4001(13) 0.108(11) Uani 0.50 1 d PG
C17 C 0.3192(13) 0.0154(15) 0.4235(12) 0.137(12) Uani 0.50 1 d PG
C18 C 0.3927(10) 0.0221(10) 0.4023(9) 0.099(8) Uani 0.50 1 d PG
C19 C 0.5000 -0.0563(6) 0.2500 0.077(3) Uani 1 2 d SG
C20 C 0.5594(6) -0.1135(8) 0.2409(4) 0.077(3) Uani 0.50 1 d PG
C21 C 0.5408(11) -0.1473(10) 0.1776(6) 0.077(3) Uani 0.50 1 d PG
C22 C 0.4675(11) -0.1237(10) 0.1234(4) 0.077(3) Uani 0.50 1 d PG
C23 C 0.4129(7) -0.0664(10) 0.13263(17) 0.077(3) Uani 0.50 1 d PG
C24 C 0.4316(4) -0.0326(8) 0.1960(2) 0.077(3) Uani 0.50 1 d PG
C25 C 0.4370(14) 0.2390(6) 0.4547(7) 0.119(6) Uani 0.50 1 d PD
C26 C 0.4596(16) 0.4022(6) 0.4064(13) 0.119(6) Uani 0.50 1 d PD
C27 C 0.2986(9) 0.3216(13) 0.3388(10) 0.119(6) Uani 0.50 1 d PD
C28 C 0.4855(12) 0.2975(9) 0.3390(9) 0.048(5) Uani 0.50 1 d P
C29 C 0.4752(7) 0.3398(5) 0.2720(5) 0.056(3) Uani 1 1 d .
C31 C 0.6412(6) 0.4036(6) 0.3888(5) 0.058(6) Uani 0.50 1 d PG
C32 C 0.6686(9) 0.3669(8) 0.4513(6) 0.100(8) Uani 0.50 1 d PG
C33 C 0.7587(10) 0.3570(11) 0.4866(7) 0.144(13) Uani 0.50 1 d PG
C34 C 0.8215(7) 0.3838(12) 0.4594(10) 0.086(9) Uani 0.50 1 d PG
C35 C 0.7942(7) 0.4205(11) 0.3970(10) 0.170(8) Uani 0.50 1 d PG
C36 C 0.7040(8) 0.4304(8) 0.3617(7) 0.079(7) Uani 0.50 1 d PG
C37 C 0.4437(7) 0.4046(7) 0.3925(6) 0.38(4) Uani 0.50 1 d PG
C38 C 0.4708(10) 0.4400(10) 0.4555(7) 0.098(9) Uani 0.50 1 d PG
C39 C 0.4167(14) 0.4377(14) 0.4956(8) 0.131(11) Uani 0.50 1 d PG
C40 C 0.3356(13) 0.4000(14) 0.4727(11) 0.093(10) Uani 0.50 1 d PG
C41 C 0.3085(9) 0.3645(12) 0.4096(11) 0.300(15) Uani 0.50 1 d PG
C42 C 0.3626(8) 0.3668(9) 0.3695(8) 0.080(7) Uani 0.50 1 d PG
C43 C 0.5031(6) 0.5121(5) 0.3012(6) 0.075(3) Uani 0.50 1 d PG
C44 C 0.5320(9) 0.5736(6) 0.3445(6) 0.075(3) Uani 0.50 1 d PG
C45 C 0.5112(11) 0.6469(6) 0.3199(9) 0.075(3) Uani 0.50 1 d PG
C46 C 0.4616(12) 0.6586(6) 0.2519(9) 0.075(3) Uani 0.50 1 d PG
C47 C 0.4326(12) 0.5971(8) 0.2086(7) 0.075(3) Uani 0.50 1 d PG
C48 C 0.4534(9) 0.5238(7) 0.2332(6) 0.075(3) Uani 0.50 1 d PG
C49 C 0.4402(14) 0.0874(9) 0.3688(7) 0.126(14) Uani 0.50 1 d PD
C50 C 0.4810(14) 0.0704(10) 0.4404(7) 0.121(14) Uani 0.50 1 d PD
C51 C 0.5443(11) 0.1308(11) 0.4721(7) 0.28(2) Uani 0.50 1 d PD
C52 C 0.5716(11) 0.153(2) 0.4152(7) 0.49(3) Uani 0.50 1 d PD
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'
Yb Yb -0.3850 5.5486 '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'
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
O1 Yb1 O1 147.2(6) . 2_655
O1 Yb1 C4 89.9(5) . 2_655
O1 Yb1 C4 83.3(5) 2_655 2_655
O1 Yb1 C4 83.3(5) . .
O1 Yb1 C4 89.9(4) 2_655 .
C4 Yb1 C4 155.8(5) 2_655 .
O1 Yb1 C6 108.7(5) . 2_655
O1 Yb1 C6 41.0(5) 2_655 2_655
C4 Yb1 C6 60.6(4) 2_655 2_655
C4 Yb1 C6 99.7(4) . 2_655
O1 Yb1 C6 41.0(5) . .
O1 Yb1 C6 108.7(5) 2_655 .
C4 Yb1 C6 99.7(4) 2_655 .
C4 Yb1 C6 60.6(4) . .
C6 Yb1 C6 79.1(7) 2_655 .
O1 Yb1 C5 91.7(5) . 2_655
O1 Yb1 C5 66.1(5) 2_655 2_655
C4 Yb1 C5 32.1(4) 2_655 2_655
C4 Yb1 C5 124.7(4) . 2_655
C6 Yb1 C5 31.2(5) 2_655 2_655
C6 Yb1 C5 80.2(4) . 2_655
O1 Yb1 C5 66.1(5) . .
O1 Yb1 C5 91.7(5) 2_655 .
C4 Yb1 C5 124.7(4) 2_655 .
C4 Yb1 C5 32.1(4) . .
C6 Yb1 C5 80.2(4) 2_655 .
C6 Yb1 C5 31.2(5) . .
C5 Yb1 C5 96.6(6) 2_655 .
O1 Yb1 C29 119.4(4) . 2_655
O1 Yb1 C29 93.1(4) 2_655 2_655
C4 Yb1 C29 107.9(3) 2_655 2_655
C4 Yb1 C29 95.6(3) . 2_655
C6 Yb1 C29 130.8(4) 2_655 2_655
C6 Yb1 C29 146.6(4) . 2_655
C5 Yb1 C29 132.7(4) 2_655 2_655
C5 Yb1 C29 127.4(4) . 2_655
O1 Yb1 C29 93.1(4) . .
O1 Yb1 C29 119.4(4) 2_655 .
C4 Yb1 C29 95.6(3) 2_655 .
C4 Yb1 C29 107.9(3) . .
C6 Yb1 C29 146.6(4) 2_655 .
C6 Yb1 C29 130.8(4) . .
C5 Yb1 C29 127.4(4) 2_655 .
C5 Yb1 C29 132.7(4) . .
C29 Yb1 C29 30.0(5) 2_655 .
O1 Yb1 C28 60.1(5) . .
O1 Yb1 C28 152.6(5) 2_655 .
C4 Yb1 C28 99.1(5) 2_655 .
C4 Yb1 C28 97.5(5) . .
C6 Yb1 C28 158.1(6) 2_655 .
C6 Yb1 C28 97.9(5) . .
C5 Yb1 C28 127.0(6) 2_655 .
C5 Yb1 C28 108.5(5) . .
C29 Yb1 C28 60.1(5) 2_655 .
C29 Yb1 C28 33.3(4) . .
O1 Yb1 C28 152.6(5) . 2_655
O1 Yb1 C28 60.1(5) 2_655 2_655
C4 Yb1 C28 97.5(5) 2_655 2_655
C4 Yb1 C28 99.1(5) . 2_655
C6 Yb1 C28 97.9(5) 2_655 2_655
C6 Yb1 C28 158.1(6) . 2_655
C5 Yb1 C28 108.5(5) 2_655 2_655
C5 Yb1 C28 127.0(6) . 2_655
C29 Yb1 C28 33.3(4) 2_655 2_655
C29 Yb1 C28 60.1(5) . 2_655
C28 Yb1 C28 92.6(8) . 2_655
C2 Si1 C3 108.7(9) . .
C2 Si1 C4 100.4(11) . .
C3 Si1 C4 120.2(8) . .
C2 Si1 C1 108.2(9) . .
C3 Si1 C1 113.8(9) . .
C4 Si1 C1 104.3(9) . .
C24 Si2 C23 62.0(5) 2_655 2_655
C24 Si2 C6 83.6(9) 2_655 .
C23 Si2 C6 109.0(8) 2_655 .
C24 Si2 C19 47.5(3) 2_655 2_655
C23 Si2 C19 94.2(6) 2_655 2_655
C6 Si2 C19 105.3(7) . 2_655
C24 Si2 C19 47.5(3) 2_655 .
C23 Si2 C19 94.2(6) 2_655 .
C6 Si2 C19 105.3(7) . .
C19 Si2 C19 0.0(7) 2_655 .
C24 Si2 C8 80.4(6) 2_655 .
C23 Si2 C8 18.5(6) 2_655 .
C6 Si2 C8 112.4(6) . .
C19 Si2 C8 109.7(5) 2_655 .
C19 Si2 C8 109.7(5) . .
C24 Si2 C13 159.6(7) 2_655 .
C23 Si2 C13 120.6(7) 2_655 .
C6 Si2 C13 112.1(7) . .
C19 Si2 C13 113.5(4) 2_655 .
C19 Si2 C13 113.5(4) . .
C8 Si2 C13 103.9(6) . .
C24 Si2 C22 92.3(8) 2_655 2_655
C23 Si2 C22 44.5(7) 2_655 2_655
C6 Si2 C22 149.1(6) . 2_655
C19 Si2 C22 93.9(5) 2_655 2_655
C19 Si2 C22 93.9(5) . 2_655
C8 Si2 C22 37.0(5) . 2_655
C13 Si2 C22 80.6(7) . 2_655
C24 Si2 C20 79.2(7) 2_655 2_655
C23 Si2 C20 94.5(8) 2_655 2_655
C6 Si2 C20 139.8(6) . 2_655
C19 Si2 C20 39.0(3) 2_655 2_655
C19 Si2 C20 39.0(3) . 2_655
C8 Si2 C20 100.2(4) . 2_655
C13 Si2 C20 80.4(4) . 2_655
C22 Si2 C20 68.1(5) 2_655 2_655
C24 Si2 C21 94.8(9) 2_655 2_655
C23 Si2 C21 74.7(9) 2_655 2_655
C6 Si2 C21 174.5(6) . 2_655
C19 Si2 C21 70.0(4) 2_655 2_655
C19 Si2 C21 70.0(4) . 2_655
C8 Si2 C21 72.4(5) . 2_655
C13 Si2 C21 68.3(5) . 2_655
C22 Si2 C21 36.0(3) 2_655 2_655
C20 Si2 C21 34.7(3) 2_655 2_655
C29 Si3 C26 111.7(6) . .
C29 Si3 C37 106.6(6) . .
C26 Si3 C37 9.3(7) . .
C29 Si3 C43 113.3(5) . .
C26 Si3 C43 110.6(6) . .
C37 Si3 C43 107.0(6) . .
C29 Si3 C31 114.4(5) . .
C26 Si3 C31 102.7(7) . .
C37 Si3 C31 112.0(5) . .
C43 Si3 C31 103.4(5) . .
C29 Si3 C28 46.6(6) . .
C26 Si3 C28 74.9(7) . .
C37 Si3 C28 74.7(7) . .
C43 Si3 C28 156.7(6) . .
C31 Si3 C28 97.1(6) . .
C42 Si3' C37 51.8(5) . .
C42 Si3' C25 137.8(11) . .
C37 Si3' C25 133.0(6) . .
C42 Si3' C26 60.5(9) . .
C37 Si3' C26 10.3(8) . .
C25 Si3' C26 123.3(9) . .
C42 Si3' C28 109.9(10) . .
C37 Si3' C28 85.2(7) . .
C25 Si3' C28 112.3(9) . .
C26 Si3' C28 86.0(11) . .
C42 Si3' C27 44.3(9) . .
C37 Si3' C27 95.3(8) . .
C25 Si3' C27 115.5(10) . .
C26 Si3' C27 104.6(10) . .
C28 Si3' C27 111.4(9) . .
C42 Si3' C41 39.5(6) . .
C37 Si3' C41 76.3(6) . .
C25 Si3' C41 98.3(9) . .
C26 Si3' C41 80.1(10) . .
C28 Si3' C41 149.1(8) . .
C27 Si3' C41 47.7(9) . .
C52 O1 C49 104.4(17) . .
C52 O1 C6 79.2(16) . .
C49 O1 C6 77.2(12) . .
C52 O1 Yb1 116.5(12) . .
C49 O1 Yb1 125.6(9) . .
C6 O1 Yb1 77.1(8) . .
C5 C4 Si1 117.8(10) . .
C5 C4 Yb1 78.9(7) . .
Si1 C4 Yb1 149.2(8) . .
C6 C5 C4 130.9(15) . .
C6 C5 Yb1 73.2(9) . .
C4 C5 Yb1 69.0(7) . .
C5 C6 Si2 117.3(12) . .
C5 C6 O1 119.3(13) . .
Si2 C6 O1 123.4(11) . .
C5 C6 Yb1 75.6(9) . .
Si2 C6 Yb1 135.4(7) . .
O1 C6 Yb1 61.9(6) . .
C8 C7 C12 120.0 . .
C8 C7 C23 21.9(7) . 2_655
C12 C7 C23 135.6(7) . 2_655
C23 C8 C22 86.6(11) 2_655 2_655
C23 C8 C7 111.5(15) 2_655 .
C22 C8 C7 161.6(11) 2_655 .
C23 C8 C9 116.1(16) 2_655 .
C22 C8 C9 44.7(11) 2_655 .
C7 C8 C9 120.0 . .
C23 C8 Si2 38.4(14) 2_655 .
C22 C8 Si2 75.4(10) 2_655 .
C7 C8 Si2 120.4(5) . .
C9 C8 Si2 119.6(5) . .
C22 C9 C8 59.5(12) 2_655 .
C22 C9 C10 168.8(13) 2_655 .
C8 C9 C10 120.0 . .
C22 C9 C23 49.1(11) 2_655 2_655
C8 C9 C23 20.7(4) . 2_655
C10 C9 C23 134.3(4) . 2_655
C11 C10 C9 120.0 . .
C10 C11 C12 120.0 . .
C11 C12 C7 120.0 . .
C11 C12 C40 98.0(17) . 3_545
C7 C12 C40 107(2) . 3_545
C14 C13 C18 120.0 . .
C14 C13 Si2 122.3(7) . .
C18 C13 Si2 117.7(7) . .
C15 C14 C13 120.0 . .
C15 C14 C35 28(2) . 3_445
C13 C14 C35 95.5(13) . 3_445
C35 C15 C36 79(6) 3_445 3_445
C35 C15 C14 102(4) 3_445 .
C36 C15 C14 150(3) 3_445 .
C35 C15 C16 35(5) 3_445 .
C36 C15 C16 48(3) 3_445 .
C14 C15 C16 120.0 . .
C35 C16 C36 92(6) 3_445 3_445
C35 C16 C17 102(3) 3_445 .
C36 C16 C17 151(4) 3_445 .
C35 C16 C15 37(6) 3_445 .
C36 C16 C15 60(4) 3_445 .
C17 C16 C15 120.0 . .
C35 C16 C34 47(4) 3_445 3_445
C36 C16 C34 110(3) 3_445 3_445
C17 C16 C34 98.1(19) . 3_445
C15 C16 C34 79(3) . 3_445
C16 C17 C18 120.0 . .
C16 C17 C35 28(2) . 3_445
C18 C17 C35 96(2) . 3_445
C17 C18 C13 120.0 . .
C17 C18 C50 125.3(12) . .
C13 C18 C50 112.1(11) . .
C17 C18 C49 138.4(10) . .
C13 C18 C49 89.1(10) . .
C50 C18 C49 52.6(9) . .
C19 C19 C24 141(10) 2_655 2_655
C19 C19 C20 62(10) 2_655 .
C24 C19 C20 86.8(5) 2_655 .
C19 C19 C24 75(10) 2_655 .
C24 C19 C24 143.89(8) 2_655 .
C20 C19 C24 119.4 . .
C19 C19 C20 46(10) 2_655 2_655
C24 C19 C20 119.4(5) 2_655 2_655
C20 C19 C20 91.0(5) . 2_655
C24 C19 C20 86.8(7) . 2_655
C19 C19 Si2 83(10) 2_655 2_655
C24 C19 Si2 120.1(4) 2_655 2_655
C20 C19 Si2 88.2(5) . 2_655
C24 C19 Si2 44.7(4) . 2_655
C20 C19 Si2 120.3(4) 2_655 2_655
C19 C19 Si2 133(10) 2_655 .
C24 C19 Si2 44.7(4) 2_655 .
C20 C19 Si2 120.3(4) . .
C24 C19 Si2 120.1(4) . .
C20 C19 Si2 88.2(4) 2_655 .
Si2 C19 Si2 140.5(7) 2_655 .
C19 C20 C21 119.1 . .
C19 C20 C19 0.0 . 2_655
C21 C20 C19 119.1 . 2_655
C19 C20 C24 44.6(3) . 2_655
C21 C20 C24 156.59(19) . 2_655
C19 C20 C24 44.6(3) 2_655 2_655
C19 C20 C20 44.5 . 2_655
C21 C20 C20 105.1(4) . 2_655
C19 C20 C20 44.5 2_655 2_655
C24 C20 C20 74.6(4) 2_655 2_655
C19 C20 Si2 52.8(3) . 2_655
C21 C20 Si2 75.4(3) . 2_655
C19 C20 Si2 52.8(3) 2_655 2_655
C24 C20 Si2 81.5(3) 2_655 2_655
C20 C20 Si2 81.4(3) 2_655 2_655
C22 C21 C20 120.0 . .
C22 C21 Si2 57.1(2) . 2_655
C20 C21 Si2 69.88(17) . 2_655
C9 C22 C8 76(3) 2_655 2_655
C9 C22 C21 125(2) 2_655 .
C8 C22 C21 150.8(13) 2_655 .
C9 C22 C23 98(3) 2_655 .
C8 C22 C23 30.9(14) 2_655 .
C21 C22 C23 120.0 . .
C9 C22 Si2 142(3) 2_655 2_655
C8 C22 Si2 67.5(16) 2_655 2_655
C21 C22 Si2 86.9(3) . 2_655
C23 C22 Si2 45.1(4) . 2_655
C8 C23 C24 176(3) 2_655 .
C8 C23 C22 62(4) 2_655 .
C24 C23 C22 120.0 . .
C8 C23 Si2 123(5) 2_655 2_655
C24 C23 Si2 54.7(4) . 2_655
C22 C23 Si2 90.4(6) . 2_655
C8 C23 C7 47(3) 2_655 2_655
C24 C23 C7 131.0(9) . 2_655
C22 C23 C7 108.9(9) . 2_655
Si2 C23 C7 127.3(11) 2_655 2_655
C8 C23 C9 43(3) 2_655 2_655
C24 C23 C9 140.7(7) . 2_655
C22 C23 C9 33.3(17) . 2_655
Si2 C23 C9 123.4(19) 2_655 2_655
C7 C23 C9 83.8(7) 2_655 2_655
Si2 C24 C19 87.9(4) 2_655 2_655
Si2 C24 C23 63.3(5) 2_655 .
C19 C24 C23 121.3 2_655 .
Si2 C24 C19 87.9(4) 2_655 .
C19 C24 C19 0.0(9) 2_655 .
C23 C24 C19 121.3 . .
Si2 C24 C20 123.9(6) 2_655 2_655
C19 C24 C20 48.7(5) 2_655 2_655
C23 C24 C20 106.2(4) . 2_655
C19 C24 C20 48.7(5) . 2_655
C38 C26 C42 118(2) . .
C38 C26 Si3' 128(2) . .
C42 C26 Si3' 45.3(7) . .
C38 C26 Si3 128.8(16) . .
C42 C26 Si3 106.3(14) . .
Si3' C26 Si3 100.8(11) . .
C42 C27 C41 55.7(11) . .
C42 C27 Si3' 45.5(8) . .
C41 C27 Si3' 75.4(9) . .
C29 C28 Si3' 126.3(11) . .
C29 C28 Si3 57.7(6) . .
Si3' C28 Si3 95.6(8) . .
C29 C28 Yb1 73.5(8) . .
Si3' C28 Yb1 134.8(8) . .
Si3 C28 Yb1 125.6(9) . .
C29 C29 C28 133.1(11) 2_655 .
C29 C29 Si3 111.0(7) 2_655 .
C28 C29 Si3 75.7(7) . .
C29 C29 Yb1 75.0(2) 2_655 .
C28 C29 Yb1 73.2(7) . .
Si3 C29 Yb1 140.1(5) . .
C32 C31 C36 120.0 . .
C32 C31 Si3 119.9(6) . .
C36 C31 Si3 120.0(6) . .
C31 C32 C33 120.0 . .
C34 C33 C32 120.0 . .
C33 C34 C35 120.0 . .
C33 C34 C16 103(2) . 3
C35 C34 C16 27(3) . 3
C16 C35 C15 108(10) 3 3
C16 C35 C36 51(6) 3 .
C15 C35 C36 63(6) 3 .
C16 C35 C34 106(9) 3 .
C15 C35 C34 131(5) 3 .
C36 C35 C34 120.0 . .
C16 C35 C17 50(2) 3 3
C15 C35 C17 128(8) 3 3
C36 C35 C17 98(4) . 3
C34 C35 C17 100(5) . 3
C16 C35 C14 128(10) 3 3
C15 C35 C14 49(5) 3 3
C36 C35 C14 107(4) . 3
C34 C35 C14 124(4) . 3
C17 C35 C14 103(3) 3 3
C16 C36 C15 72(5) 3 3
C16 C36 C35 37(5) 3 .
C15 C36 C35 38(5) 3 .
C16 C36 C31 111(6) 3 .
C15 C36 C31 134(3) 3 .
C35 C36 C31 120.0 . .
C38 C37 C42 120.0 . .
C38 C37 Si3' 116.7(7) . .
C42 C37 Si3' 47.9(6) . .
C38 C37 Si3 119.9(6) . .
C42 C37 Si3 120.1(6) . .
Si3' C37 Si3 104.4(7) . .
C26 C38 C37 10.9(11) . .
C26 C38 C39 124.2(13) . .
C37 C38 C39 120.0 . .
C40 C39 C38 120.0 . .
C39 C40 C41 120.0 . .
C39 C40 C12 132(2) . 3_455
C41 C40 C12 105(2) . 3_455
C42 C41 C40 120.0 . .
C42 C41 C27 49.8(8) . .
C40 C41 C27 168.3(8) . .
C42 C41 Si3' 36.9(5) . .
C40 C41 Si3' 111.6(5) . .
C27 C41 Si3' 57.0(8) . .
C27 C42 Si3' 90.2(13) . .
C27 C42 C41 74.6(15) . .
Si3' C42 C41 103.6(9) . .
C27 C42 C37 164.1(14) . .
Si3' C42 C37 80.3(7) . .
C41 C42 C37 120.0 . .
C27 C42 C26 163.2(17) . .
Si3' C42 C26 74.2(8) . .
C41 C42 C26 114.5(11) . .
C37 C42 C26 8.9(9) . .
C48 C43 C44 97.3(8) 2_655 .
C48 C43 C48 66.4(13) 2_655 .
C44 C43 C48 120.0 . .
C48 C43 C47 48.1(6) 2_655 2_655
C44 C43 C47 50.9(10) . 2_655
C48 C43 C47 85.1(10) . 2_655
C48 C43 Si3 113.5(7) 2_655 .
C44 C43 Si3 120.4(5) . .
C48 C43 Si3 118.9(5) . .
C47 C43 Si3 143.4(8) 2_655 .
C43 C44 C45 120.0 . .
C43 C44 C47 81.7(7) . 2_655
C45 C44 C47 63.9(5) . 2_655
C43 C44 C48 37.1(5) . 2_655
C45 C44 C48 101.2(4) . 2_655
C47 C44 C48 45.9(7) 2_655 2_655
C44 C45 C46 120.0 . .
C44 C45 C47 60.4(9) . 2_655
C46 C45 C47 83.9(12) . 2_655
C44 C45 C46 109.8(4) . 2_655
C46 C45 C46 46.4(14) . 2_655
C47 C45 C46 50.7(10) 2_655 2_655
C46 C46 C47 94.4(11) 2_655 .
C46 C46 C45 80.3(18) 2_655 .
C47 C46 C45 120.0 . .
C46 C46 C45 53.3(15) 2_655 2_655
C47 C46 C45 57.3(9) . 2_655
C45 C46 C45 130.8(16) . 2_655
C46 C46 C47 45.5(9) 2_655 2_655
C47 C46 C47 83.7(7) . 2_655
C45 C46 C47 50.7(10) . 2_655
C45 C46 C47 82.2(13) 2_655 2_655
C46 C47 C48 120.0 . .
C46 C47 C44 125.9(14) . 2_655
C48 C47 C44 85.0(5) . 2_655
C46 C47 C45 72.0(10) . 2_655
C48 C47 C45 126.0(14) . 2_655
C44 C47 C45 55.7(15) 2_655 2_655
C46 C47 C43 128.7(7) . 2_655
C48 C47 C43 38.9(7) . 2_655
C44 C47 C43 47.5(8) 2_655 2_655
C45 C47 C43 90.3(17) 2_655 2_655
C46 C47 C46 40.1(9) . 2_655
C48 C47 C46 107.3(7) . 2_655
C44 C47 C46 89(2) 2_655 2_655
C45 C47 C46 45.4(9) 2_655 2_655
C43 C47 C46 93.7(12) 2_655 2_655
C43 C48 C47 93.1(7) 2_655 .
C43 C48 C43 110.4(11) 2_655 .
C47 C48 C43 120.0 . .
C43 C48 C48 64.2(10) 2_655 2_655
C47 C48 C48 105.3(3) . 2_655
C43 C48 C48 49.4(11) . 2_655
C43 C48 C44 45.6(11) 2_655 2_655
C47 C48 C44 49.1(8) . 2_655
C43 C48 C44 137.7(14) . 2_655
C48 C48 C44 90.8(16) 2_655 2_655
C50 C49 O1 104.6(13) . .
C50 C49 C18 61.9(12) . .
O1 C49 C18 164.7(13) . .
C49 C50 C51 108.6(15) . .
C49 C50 C18 65.4(13) . .
C51 C50 C18 164.8(18) . .
C52 C51 C50 100.2(17) . .
C51 C52 O1 104.1(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O1 2.410(14) .
Yb1 O1 2.410(14) 2_655
Yb1 C4 2.562(10) 2_655
Yb1 C4 2.562(10) .
Yb1 C6 2.662(16) 2_655
Yb1 C6 2.662(16) .
Yb1 C5 2.694(15) 2_655
Yb1 C5 2.694(15) .
Yb1 C29 2.702(10) 2_655
Yb1 C29 2.702(10) .
Yb1 C28 2.697(18) .
Yb1 C28 2.697(18) 2_655
Si1 C2 1.871(12) .
Si1 C3 1.825(14) .
Si1 C4 1.847(13) .
Si1 C1 1.836(13) .
Si2 C24 1.285(9) 2_655
Si2 C23 1.406(15) 2_655
Si2 C6 1.795(18) .
Si2 C19 1.827(6) 2_655
Si2 C19 1.827(6) .
Si2 C8 1.894(10) .
Si2 C13 1.902(12) .
Si2 C22 1.98(2) 2_655
Si2 C20 2.291(14) 2_655
Si2 C21 2.36(2) 2_655
Si3 C29 1.800(10) .
Si3 C26 1.95(3) .
Si3 C37 1.889(14) .
Si3 C43 1.915(11) .
Si3 C31 1.942(9) .
Si3 C28 2.064(16) .
Si3' C42 1.311(17) .
Si3' C37 1.743(13) .
Si3' C25 1.762(13) .
Si3' C26 1.775(14) .
Si3' C28 1.81(2) .
Si3' C27 1.839(14) .
Si3' C41 2.123(18) .
O1 C52 1.453(17) .
O1 C49 1.46(2) .
O1 C6 1.79(2) .
C4 C5 1.46(2) .
C5 C6 1.44(3) .
C7 C8 1.3900 .
C7 C12 1.3900 .
C7 C23 1.782(9) 2_655
C8 C23 0.716(15) 2_655
C8 C22 1.235(19) 2_655
C8 C9 1.3900 .
C9 C22 1.01(2) 2_655
C9 C10 1.3900 .
C9 C23 1.82(2) 2_655
C10 C11 1.3900 .
C11 C12 1.3900 .
C12 C40 1.88(7) 3_545
C13 C14 1.3900 .
C13 C18 1.3900 .
C14 C15 1.3900 .
C14 C35 1.79(8) 3_445
C15 C35 0.87(8) 3_445
C15 C36 1.26(8) 3_445
C15 C16 1.3900 .
C16 C35 0.84(7) 3_445
C16 C36 1.08(6) 3_445
C16 C17 1.3900 .
C16 C34 1.81(7) 3_445
C17 C18 1.3900 .
C17 C35 1.77(5) 3_445
C18 C50 1.61(2) .
C18 C49 1.66(3) .
C19 C19 0.00(2) 2_655
C19 C24 1.347(6) 2_655
C19 C20 1.4409 .
C19 C24 1.3469 .
C19 C20 1.441(13) 2_655
C19 Si2 1.827(6) 2_655
C20 C21 1.3900 .
C20 C19 1.4409 2_655
C20 C24 1.916(8) 2_655
C20 C20 2.055(18) 2_655
C20 Si2 2.291(11) 2_655
C21 C22 1.3900 .
C21 Si2 2.361(15) 2_655
C22 C9 1.01(4) 2_655
C22 C8 1.23(4) 2_655
C22 C23 1.3900 .
C22 Si2 1.984(15) 2_655
C23 C8 0.72(3) 2_655
C23 C24 1.3900 .
C23 Si2 1.406(13) 2_655
C23 C7 1.782(9) 2_655
C23 C9 1.82(4) 2_655
C24 Si2 1.285(10) 2_655
C24 C19 1.3469 2_655
C24 C20 1.916(11) 2_655
C26 C38 1.19(3) .
C26 C42 1.61(2) .
C27 C42 1.28(2) .
C27 C41 1.62(3) .
C28 C29 1.55(2) .
C29 C29 1.40(2) 2_655
C31 C32 1.3900 .
C31 C36 1.3900 .
C32 C33 1.3900 .
C33 C34 1.3900 .
C34 C35 1.3900 .
C34 C16 1.81(11) 3
C35 C16 0.84(9) 3
C35 C15 0.87(12) 3
C35 C36 1.3900 .
C35 C17 1.77(5) 3
C35 C14 1.79(10) 3
C36 C16 1.08(9) 3
C36 C15 1.26(8) 3
C37 C38 1.3900 .
C37 C42 1.3900 .
C38 C39 1.3900 .
C39 C40 1.3900 .
C40 C41 1.3900 .
C40 C12 1.88(4) 3_455
C41 C42 1.3900 .
C43 C48 1.17(2) 2_655
C43 C44 1.3900 .
C43 C48 1.3900 .
C43 C47 1.866(17) 2_655
C44 C45 1.3900 .
C44 C47 1.46(3) 2_655
C44 C48 1.93(2) 2_655
C45 C46 1.3900 .
C45 C47 1.51(2) 2_655
C45 C46 1.71(4) 2_655
C46 C46 1.26(4) 2_655
C46 C47 1.3900 .
C46 C45 1.71(4) 2_655
C46 C47 1.94(2) 2_655
C47 C48 1.3900 .
C47 C44 1.46(4) 2_655
C47 C45 1.51(4) 2_655
C47 C43 1.866(18) 2_655
C47 C46 1.94(3) 2_655
C48 C43 1.17(3) 2_655
C48 C48 1.41(3) 2_655
C48 C44 1.93(3) 2_655
C49 C50 1.450(19) .
C50 C51 1.46(2) .
C51 C52 1.45(2) .
