#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:50:10 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178536 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/42/4064246.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_4064246
loop_
_publ_author_name
'Shima, Takanori'
'Nishiura, Masayoshi'
'Hou, Zhaomin'
_publ_section_title
;
 Tetra-, Penta-, and Hexanuclear Yttrium Hydride Clusters from
 Half-Sandwich Bis(aminobenzyl) Complexes Containing Various
 Cyclopentadienyl Ligands
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2513
_journal_paper_doi               10.1021/om1012055
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C60 H102 Y6, 2(C7 H8)'
_chemical_formula_sum            'C74 H118 Y6'
_chemical_formula_weight         1541.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 123.307(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.503(5)
_cell_length_b                   17.833(5)
_cell_length_c                   12.969(4)
_cell_measurement_reflns_used    7348
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.61
_cell_measurement_theta_min      1.69
_cell_volume                     3769.7(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0521
_diffrn_reflns_av_sigmaI/netI    0.1170
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            7348
_diffrn_reflns_theta_full        24.61
_diffrn_reflns_theta_max         24.61
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    4.601
_exptl_absorpt_correction_T_max  0.3390
_exptl_absorpt_correction_T_min  0.2605
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1592
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.722
_refine_diff_density_min         -2.142
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         3248
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.1870
_refine_ls_R_factor_gt           0.1031
_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)+(0.0482P)²+90.2112P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2014
_refine_ls_wR_factor_ref         0.2360
_reflns_number_gt                1678
_reflns_number_total             3248
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om1012055_si_002.cif
_cod_data_source_block           7
_cod_original_cell_volume        3769.7(18)
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               4064246
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Y1 Y 0.42913(5) 0.10700(7) 0.32935(8) 0.0880(3) Uani 1 1 d D
Y2 Y 0.61221(7) 0.0000 0.47998(16) 0.1010(5) Uani 1 2 d S
C1 C 0.3776(6) 0.2450(6) 0.2666(8) 0.085(4) Uani 1 1 d .
C2 C 0.3094(5) 0.2010(6) 0.1851(8) 0.068(3) Uani 1 1 d .
C3 C 0.3276(5) 0.1624(6) 0.1094(8) 0.074(3) Uani 1 1 d .
C4 C 0.4063(5) 0.1841(6) 0.1390(7) 0.092(3) Uani 1 1 d .
C5 C 0.4366(5) 0.2346(7) 0.2374(8) 0.092(4) Uani 1 1 d .
C6 C 0.3796(8) 0.3010(8) 0.3581(10) 0.131(6) Uani 1 1 d .
H6A H 0.3466 0.3439 0.3141 0.196 Uiso 1 1 d R
H6B H 0.4352 0.3167 0.4160 0.196 Uiso 1 1 d R
H6C H 0.3584 0.2775 0.4016 0.196 Uiso 1 1 d R
C7 C 0.2286(5) 0.2007(7) 0.1725(10) 0.111(4) Uani 1 1 d .
H7A H 0.2339 0.2259 0.2420 0.166 Uiso 1 1 d R
H7B H 0.2114 0.1499 0.1695 0.166 Uiso 1 1 d R
H7C H 0.1887 0.2262 0.0980 0.166 Uiso 1 1 d R
C8 C 0.2682(8) 0.1146(7) 0.0021(11) 0.131(6) Uani 1 1 d .
H8A H 0.2364 0.0854 0.0234 0.197 Uiso 1 1 d R
H8B H 0.2978 0.0816 -0.0188 0.197 Uiso 1 1 d R
H8C H 0.2324 0.1460 -0.0674 0.197 Uiso 1 1 d R
C9 C 0.4455(6) 0.1634(9) 0.0723(8) 0.158(6) Uani 1 1 d .
H9A H 0.4147 0.1844 -0.0093 0.237 Uiso 1 1 d R
H9B H 0.4468 0.1098 0.0667 0.237 Uiso 1 1 d R
H9C H 0.5005 0.1826 0.1161 0.237 Uiso 1 1 d R
C10 C 0.5162(6) 0.2796(9) 0.2950(12) 0.167(7) Uani 1 1 d .
H10A H 0.5396 0.2728 0.2470 0.251 Uiso 1 1 d R
H10B H 0.5543 0.2623 0.3778 0.251 Uiso 1 1 d R
H10C H 0.5048 0.3318 0.2965 0.251 Uiso 1 1 d R
C11 C 0.6899(4) -0.0384(6) 0.3755(9) 0.092(4) Uani 1 1 d .
C12 C 0.7375(5) -0.0615(6) 0.4934(10) 0.092(3) Uani 1 1 d .
C13 C 0.7688(7) 0.0000 0.5700(11) 0.100(7) Uani 1 2 d S
C14 C 0.6530(9) -0.0874(13) 0.2631(16) 0.365(10) Uani 1 1 d .
H14A H 0.6909 -0.0922 0.2382 0.547 Uiso 1 1 d R
H14B H 0.6030 -0.0652 0.1974 0.547 Uiso 1 1 d R
H14C H 0.6417 -0.1360 0.2820 0.547 Uiso 1 1 d R
C15 C 0.7603(8) -0.1416(8) 0.5351(16) 0.307(6) Uani 1 1 d .
H15A H 0.7227 -0.1620 0.5536 0.461 Uiso 1 1 d R
H15B H 0.8150 -0.1434 0.6076 0.461 Uiso 1 1 d R
H15C H 0.7578 -0.1706 0.4707 0.461 Uiso 1 1 d R
C16 C 0.8280(11) 0.0000 0.7033(16) 0.33(3) Uani 1 2 d S
H16A H 0.8630 0.0431 0.7263 0.489 Uiso 0.50 1 d PR
H16B H 0.8607 -0.0447 0.7270 0.489 Uiso 0.50 1 d PR
H16C H 0.7993 0.0000 0.7442 0.489 Uiso 1 2 d SR
C17 C 0.5465(17) 0.429(2) 0.958(2) 0.197(17) Uani 0.50 1 d P
C18 C 0.5420(10) 0.5000 0.9616(16) 0.147(12) Uani 1 2 d S
C19 C 0.5000 0.546(2) 1.0000 0.097(14) Uani 0.50 2 d SP
C20 C 0.5000 0.3794(18) 1.0000 0.162(12) Uani 1 2 d S
C21 C 0.4847(11) 0.5000 0.588(2) 0.205(9) Uani 1 2 d S
H21 H 0.4769 0.5000 0.6524 0.246 Uiso 1 2 d SR
C22 C 0.4204(11) 0.5000 0.477(2) 0.168(7) Uani 1 2 d S
H22 H 0.3674 0.5000 0.4596 0.202 Uiso 1 2 d SR
C23 C 0.384(3) 0.5000 0.286(4) 0.22(4) Uani 0.50 2 d SP
H23A H 0.3344 0.5000 0.2859 0.336 Uiso 0.50 2 d SPR
H23B H 0.3875 0.4586 0.2426 0.336 Uiso 0.25 1 d PR
H23C H 0.3821 0.5461 0.2470 0.336 Uiso 0.25 1 d PR
C24 C 0.4376(17) 0.5000 0.383(3) 0.197(11) Uani 1 2 d S
H1 H 0.563(3) 0.115(3) 0.487(5) 0.025(16) Uiso 1 1 d .
H2 H 0.501(5) 0.0000 0.323(8) 0.05(3) Uiso 1 2 d S
H3 H 0.5295(17) 0.090(5) 0.294(4) 0.06(3) Uiso 0.75 1 d PD
H4 H 0.354(5) 0.0000 0.322(9) 0.07(3) Uiso 1 2 d S
H5 H 0.5000 0.0000 0.5000 0.06(9) Uiso 0.50 4 d SP
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'
Y Y -2.7962 3.5667 '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 Y1 C3 51.0(3) . .
C5 Y1 C1 31.3(3) . .
C3 Y1 C1 51.2(3) . .
C5 Y1 C2 51.1(3) . .
C3 Y1 C2 30.8(3) . .
C1 Y1 C2 30.9(3) . .
C5 Y1 C4 30.9(3) . .
C3 Y1 C4 31.3(3) . .
C1 Y1 C4 51.7(3) . .
C2 Y1 C4 51.5(3) . .
C5 Y1 Y2 115.4(2) . .
C3 Y1 Y2 137.4(2) . .
C1 Y1 Y2 141.1(2) . .
C2 Y1 Y2 164.8(2) . .
C4 Y1 Y2 113.4(2) . .
C5 Y1 Y2 151.4(3) . 5_656
C3 Y1 Y2 129.6(2) . 5_656
C1 Y1 Y2 121.8(3) . 5_656
C2 Y1 Y2 112.6(2) . 5_656
C4 Y1 Y2 160.9(2) . 5_656
Y2 Y1 Y2 82.65(4) . 5_656
C5 Y1 Y1 110.6(2) . 2_656
C3 Y1 Y1 157.3(2) . 2_656
C1 Y1 Y1 106.2(2) . 2_656
C2 Y1 Y1 129.4(2) . 2_656
C4 Y1 Y1 138.3(2) . 2_656
Y2 Y1 Y1 58.50(3) . 2_656
Y2 Y1 Y1 58.32(4) 5_656 2_656
C5 Y1 Y1 150.7(3) . 6
C3 Y1 Y1 112.2(2) . 6
C1 Y1 Y1 160.3(2) . 6
C2 Y1 Y1 129.4(2) . 6
C4 Y1 Y1 121.4(2) . 6
Y2 Y1 Y1 57.40(2) . 6
Y2 Y1 Y1 57.47(3) 5_656 6
Y1 Y1 Y1 90.0 2_656 6
C5 Y1 H1 91.8(14) . .
C3 Y1 H1 140.0(15) . .
C1 Y1 H1 106.0(14) . .
C2 Y1 H1 136.9(14) . .
C4 Y1 H1 109.2(15) . .
Y2 Y1 H1 39.2(14) . .
Y2 Y1 H1 89.8(15) 5_656 .
Y1 Y1 H1 36.1(15) 2_656 .
Y1 Y1 H1 93.6(14) 6 .
C5 Y1 H2 120(2) . .
C3 Y1 H2 112(2) . .
C1 Y1 H2 151(2) . .
C2 Y1 H2 142(2) . .
C4 Y1 H2 101(2) . .
Y2 Y1 H2 32.6(18) . .
Y2 Y1 H2 87(2) 5_656 .
Y1 Y1 H2 88(2) 2_656 .
Y1 Y1 H2 37.2(18) 6 .
H1 Y1 H2 71(2) . .
C5 Y1 H3 76(2) . .
C3 Y1 H3 93.0(14) . .
C1 Y1 H3 107(2) . .
C2 Y1 H3 118.1(19) . .
C4 Y1 H3 66.6(18) . .
Y2 Y1 H3 46.8(18) . .
Y2 Y1 H3 128(2) 5_656 .
Y1 Y1 H3 94.6(11) 2_656 .
Y1 Y1 H3 82(2) 6 .
H1 Y1 H3 59.6(18) . .
H2 Y1 H3 45(3) . .
C5 Y1 H4 150.4(19) . .
C3 Y1 H4 100(2) . .
C1 Y1 H4 128.2(18) . .
C2 Y1 H4 101.2(18) . .
C4 Y1 H4 127(2) . .
Y2 Y1 H4 90.3(18) . .
Y2 Y1 H4 39(2) 5_656 .
Y1 Y1 H4 95(2) 2_656 .
Y1 Y1 H4 37(2) 6 .
H1 Y1 H4 118(2) . .
H2 Y1 H4 74(3) . .
H3 Y1 H4 118(3) . .
C12 Y2 C12 50.0(4) 6 .
C12 Y2 C13 30.7(3) 6 .
C12 Y2 C13 30.7(3) . .
C12 Y2 C11 49.8(3) 6 .
C12 Y2 C11 29.9(3) . .
C13 Y2 C11 50.4(3) . .
C12 Y2 C11 29.9(3) 6 6
C12 Y2 C11 49.8(3) . 6
C13 Y2 C11 50.4(3) . 6
C11 Y2 C11 30.4(5) . 6
C12 Y2 Y1 153.0(3) 6 6
C12 Y2 Y1 115.9(2) . 6
C13 Y2 Y1 145.75(9) . 6
C11 Y2 Y1 105.55(19) . 6
C11 Y2 Y1 123.4(2) 6 6
C12 Y2 Y1 115.9(2) 6 .
C12 Y2 Y1 153.0(3) . .
C13 Y2 Y1 145.75(10) . .
C11 Y2 Y1 123.4(2) . .
C11 Y2 Y1 105.55(19) 6 .
Y1 Y2 Y1 65.19(5) 6 .
C12 Y2 Y1 107.0(2) 6 2_656
C12 Y2 Y1 138.3(2) . 2_656
C13 Y2 Y1 110.3(3) . 2_656
C11 Y2 Y1 156.7(2) . 2_656
C11 Y2 Y1 129.6(2) 6 2_656
Y1 Y2 Y1 97.36(4) 6 2_656
Y1 Y2 Y1 63.17(4) . 2_656
C12 Y2 Y1 138.3(2) 6 5_656
C12 Y2 Y1 107.0(2) . 5_656
C13 Y2 Y1 110.3(3) . 5_656
C11 Y2 Y1 129.6(2) . 5_656
C11 Y2 Y1 156.74(19) 6 5_656
Y1 Y2 Y1 63.17(4) 6 5_656
Y1 Y2 Y1 97.35(4) . 5_656
Y1 Y2 Y1 65.05(5) 2_656 5_656
C12 Y2 Y2 153.6(2) 6 5_656
C12 Y2 Y2 153.6(2) . 5_656
C13 Y2 Y2 152.7(3) . 5_656
C11 Y2 Y2 154.05(18) . 5_656
C11 Y2 Y2 154.05(18) 6 5_656
Y1 Y2 Y2 48.74(3) 6 5_656
Y1 Y2 Y2 48.74(3) . 5_656
Y1 Y2 Y2 48.61(3) 2_656 5_656
Y1 Y2 Y2 48.61(3) 5_656 5_656
C12 Y2 H1 91.0(14) 6 .
C12 Y2 H1 140.8(14) . .
C13 Y2 H1 113.3(12) . .
C11 Y2 H1 129.0(15) . .
C11 Y2 H1 99.2(15) 6 .
Y1 Y2 H1 100.9(12) 6 .
Y1 Y2 H1 38.9(11) . .
Y1 Y2 H1 39.6(14) 2_656 .
Y1 Y2 H1 101.2(15) 5_656 .
Y2 Y2 H1 63.8(14) 5_656 .
C12 Y2 H2 122(3) 6 .
C12 Y2 H2 122(3) . .
C13 Y2 H2 144(3) . .
C11 Y2 H2 95(3) . .
C11 Y2 H2 95(3) 6 .
Y1 Y2 H2 40.3(16) 6 .
Y1 Y2 H2 40.3(16) . .
Y1 Y2 H2 100(2) 2_656 .
Y1 Y2 H2 100(2) 5_656 .
Y2 Y2 H2 64(3) 5_656 .
H1 Y2 H2 78.3(16) . .
C12 Y2 H3 83.3(11) 6 .
C12 Y2 H3 114.0(8) . .
C13 Y2 H3 113.3(10) . .
C11 Y2 H3 85.5(9) . .
C11 Y2 H3 66.3(8) 6 .
Y1 Y2 H3 84.0(14) 6 .
Y1 Y2 H3 39.6(8) . .
Y1 Y2 H3 93.0(13) 2_656 .
Y1 Y2 H3 135.8(8) 5_656 .
Y2 Y2 H3 87.7(8) 5_656 .
H1 Y2 H3 54.7(19) . .
H2 Y2 H3 43.9(19) . .
C12 Y2 H5 153.6(2) 6 .
C12 Y2 H5 153.6(2) . .
C13 Y2 H5 152.7(3) . .
C11 Y2 H5 154.05(18) . .
C11 Y2 H5 154.05(18) 6 .
Y1 Y2 H5 48.74(3) 6 .
Y1 Y2 H5 48.74(3) . .
Y1 Y2 H5 48.61(3) 2_656 .
Y1 Y2 H5 48.61(3) 5_656 .
Y2 Y2 H5 0.000(3) 5_656 .
H1 Y2 H5 63.8(14) . .
H2 Y2 H5 64(3) . .
H3 Y2 H5 87.7(8) . .
C2 C1 C5 107.6(10) . .
C2 C1 C6 124.0(10) . .
C5 C1 C6 128.0(10) . .
C2 C1 Y1 75.5(6) . .
C5 C1 Y1 74.2(6) . .
C6 C1 Y1 122.0(7) . .
C3 C2 C1 107.7(9) . .
C3 C2 C7 125.6(9) . .
C1 C2 C7 126.4(10) . .
C3 C2 Y1 73.5(5) . .
C1 C2 Y1 73.6(5) . .
C7 C2 Y1 123.1(7) . .
C2 C3 C4 109.3(8) . .
C2 C3 C8 124.8(10) . .
C4 C3 C8 125.3(11) . .
C2 C3 Y1 75.6(5) . .
C4 C3 Y1 75.4(5) . .
C8 C3 Y1 122.4(7) . .
C5 C4 C3 105.9(9) . .
C5 C4 C9 126.7(10) . .
C3 C4 C9 127.2(9) . .
C5 C4 Y1 73.3(5) . .
C3 C4 Y1 73.3(5) . .
C9 C4 Y1 122.7(7) . .
C4 C5 C1 109.4(9) . .
C4 C5 C10 126.1(11) . .
C1 C5 C10 124.1(11) . .
C4 C5 Y1 75.7(6) . .
C1 C5 Y1 74.5(6) . .
C10 C5 Y1 122.0(7) . .
C1 C6 H6A 109.5 . .
C1 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C1 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C2 C7 H7A 109.5 . .
C2 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C2 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C3 C8 H8A 109.5 . .
C3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C4 C9 H9A 109.5 . .
C4 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C4 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C5 C10 H10A 109.5 . .
C5 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C5 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C12 C11 C11 107.8(6) . 6
C12 C11 C14 126.1(12) . .
C11 C11 C14 125.6(10) 6 .
C12 C11 Y2 74.1(6) . .
C11 C11 Y2 74.8(2) 6 .
C14 C11 Y2 123.4(8) . .
C11 C12 C13 109.5(9) . .
C11 C12 C15 125.5(11) . .
C13 C12 C15 124.7(10) . .
C11 C12 Y2 76.0(6) . .
C13 C12 Y2 74.9(7) . .
C15 C12 Y2 120.4(8) . .
C12 C13 C12 105.5(12) . 6
C12 C13 C16 127.2(6) . .
C12 C13 C16 127.2(6) 6 .
C12 C13 Y2 74.3(6) . .
C12 C13 Y2 74.3(6) 6 .
C16 C13 Y2 120.1(12) . .
C11 C14 H14A 109.5 . .
C11 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C11 C14 H14C 109.4 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 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 109.4 . .
H16A C16 H16C 111.0 . .
H16B C16 H16C 108.0 . .
C18 C17 C19 65(2) . 5_667
C18 C17 C20 119(3) . .
C19 C17 C20 54(2) 5_667 .
C17 C18 C17 169(4) 6_565 .
C17 C18 C19 60(2) 6_565 .
C17 C18 C19 130(3) . .
C17 C18 C19 130(3) 6_565 5_667
C17 C18 C19 60(2) . 5_667
C19 C18 C19 70(3) . 5_667
C20 C19 C17 71(2) 5_667 5_667
C20 C19 C17 71(2) 5_667 6_565
C17 C19 C17 141(5) 5_667 6_565
C20 C19 C18 125.1(14) 5_667 5_667
C17 C19 C18 54.4(18) 5_667 5_667
C17 C19 C18 164(3) 6_565 5_667
C20 C19 C18 125.1(14) 5_667 .
C17 C19 C18 164(3) 5_667 .
C17 C19 C18 54.4(17) 6_565 .
C18 C19 C18 110(3) 5_667 .
C20 C19 C19 180.000(13) 5_667 5_667
C17 C19 C19 109(2) 5_667 5_667
C17 C19 C19 109(2) 6_565 5_667
C18 C19 C19 54.9(14) 5_667 5_667
C18 C19 C19 54.9(14) . 5_667
C19 C20 C17 55.8(17) 5_667 2_657
C19 C20 C17 55.8(17) 5_667 .
C17 C20 C17 112(3) 2_657 .
C22 C21 C24 125(3) . 5_666
C22 C21 H21 117.6 . .
C24 C21 H21 117.6 5_666 .
C21 C22 C24 114(2) . .
C21 C22 H22 122.9 . .
C24 C22 H22 122.9 . .
C24 C23 H23A 109.6 . .
C24 C23 H23B 109.5 . .
H23A C23 H23B 113.7 . .
C24 C23 H23C 109.5 . .
H23A C23 H23C 105.0 . .
H23B C23 H23C 109.5 . .
C23 C24 C21 123(5) . 5_666
C23 C24 C22 116(5) . .
C21 C24 C22 121(3) 5_666 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 C5 2.610(11) .
Y1 C3 2.613(8) .
Y1 C1 2.614(11) .
Y1 C2 2.640(8) .
Y1 C4 2.641(9) .
Y1 Y2 3.5420(15) .
Y1 Y2 3.549(2) 5_656
Y1 Y1 3.714(2) 2_656
Y1 Y1 3.816(3) 6
Y1 H1 2.27(4) .
Y1 H2 2.40(6) .
Y1 H3 2.26(3) .
Y1 H4 2.38(6) .
Y2 C12 2.596(9) 6
Y2 C12 2.596(9) .
Y2 C13 2.603(12) .
Y2 C11 2.618(10) .
Y2 C11 2.618(10) 6
Y2 Y1 3.5420(15) 6
Y2 Y1 3.549(2) 2_656
Y2 Y1 3.549(2) 5_656
Y2 Y2 4.682(3) 5_656
Y2 H1 2.29(6) .
Y2 H2 2.00(7) .
Y2 H3 2.59(7) .
Y2 H5 2.3410(15) .
C1 C2 1.400(12) .
C1 C5 1.407(15) .
C1 C6 1.534(16) .
C2 C3 1.396(14) .
C2 C7 1.491(13) .
C3 C4 1.417(13) .
C3 C8 1.495(14) .
C4 C5 1.401(15) .
C4 C9 1.483(15) .
C5 C10 1.529(15) .
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 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.345(13) .
C11 C11 1.37(2) 6
C11 C14 1.501(19) .
C12 C13 1.377(12) .
C12 C15 1.507(17) .
C13 C12 1.377(12) 6
C13 C16 1.46(2) .
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 0.9596 .
C17 C18 1.28(4) .
C17 C19 1.37(4) 5_667
C17 C20 1.56(4) .
C18 C17 1.28(4) 6_565
C18 C19 1.43(2) .
C18 C19 1.43(2) 5_667
C19 C20 1.33(4) 5_667
C19 C17 1.37(4) 5_667
C19 C17 1.37(4) 6_565
C19 C18 1.43(2) 5_667
C19 C19 1.64(7) 5_667
C20 C19 1.33(4) 5_667
C20 C17 1.56(4) 2_657
C21 C22 1.29(3) .
C21 C24 1.34(3) 5_666
C21 H21 0.9300 .
C22 C24 1.43(4) .
C22 H22 0.9300 .
C23 C24 1.11(5) .
C23 H23A 0.9563 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 C21 1.34(3) 5_666
