#------------------------------------------------------------------------------
#$Date: 2019-11-24 08:11:58 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237248 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/80/4088083.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_4088083
loop_
_publ_author_name
'Bienfait, André M.'
'Wolf, Benjamin M.'
'Törnroos, Karl W.'
'Anwander, Reiner'
_publ_section_title
;
 Ln(II)/Pb(II)--Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal
 Half-Sandwich Complexes
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5734
_journal_paper_doi               10.1021/acs.organomet.5b00837
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C48 H84 Al2 Yb2, 4(C7 H8)'
_chemical_formula_sum            'C76 H116 Al2 Yb2'
_chemical_formula_weight         1429.72
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                103.4308(12)
_cell_angle_beta                 100.2053(11)
_cell_angle_gamma                112.0658(8)
_cell_formula_units_Z            1
_cell_length_a                   11.2233(8)
_cell_length_b                   12.4090(9)
_cell_length_c                   14.7476(16)
_cell_measurement_reflns_used    9939
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      32.04
_cell_measurement_theta_min      2.56
_cell_volume                     1769.9(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33341
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.045
_diffrn_reflns_theta_min         1.874
_diffrn_source                   'Rotating anode'
_exptl_absorpt_coefficient_mu    2.690
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS-2014/3
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_description       'flat prism'
_exptl_crystal_F_000             738
_exptl_crystal_size_max          0.774
_exptl_crystal_size_mid          0.670
_exptl_crystal_size_min          0.218
_exptl_transmission_factor_max   0.7949
_exptl_transmission_factor_min   0.2217
_refine_diff_density_max         4.258
_refine_diff_density_min         -1.017
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     393
_refine_ls_number_reflns         12265
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0478P)²+0.7168P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0764
_refine_ls_wR_factor_ref         0.0781
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11541
_reflns_number_total             12265
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om5b00837_si_002.cif
_cod_data_source_block           Compound7b
_cod_database_code               4088083
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.230
_shelx_estimated_absorpt_t_max   0.592
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Yb1 Yb 0.23930(2) 0.22237(2) 0.34314(2) 0.01133(3) Uani 1 1 d . .
Al1 Al 0.29221(6) 0.60710(6) 0.52644(5) 0.01443(11) Uani 1 1 d . .
C1 C 0.2607(2) 0.43711(18) 0.44266(15) 0.0167(3) Uani 1 1 d D .
H1A H 0.319(2) 0.455(3) 0.4029(18) 0.025 Uiso 1 1 d D U
H1B H 0.1659(15) 0.390(3) 0.4072(19) 0.025 Uiso 1 1 d D U
H1C H 0.288(3) 0.406(3) 0.4924(17) 0.025 Uiso 1 1 d D U
C2 C 0.2465(2) 0.6947(2) 0.43903(19) 0.0237(4) Uani 1 1 d . .
H2A H 0.2638 0.7774 0.4782 0.036 Uiso 1 1 calc R U
H2B H 0.1513 0.6489 0.4014 0.036 Uiso 1 1 calc R U
H2C H 0.3020 0.7009 0.3943 0.036 Uiso 1 1 calc R U
C3 C 0.1939(3) 0.5960(2) 0.6262(2) 0.0280(5) Uani 1 1 d . .
H3A H 0.2135 0.6791 0.6663 0.042 Uiso 1 1 calc R U
H3B H 0.2228 0.5539 0.6677 0.042 Uiso 1 1 calc R U
H3C H 0.0971 0.5497 0.5936 0.042 Uiso 1 1 calc R U
C4 C 0.4957(2) 0.68300(19) 0.59272(15) 0.0165(3) Uani 1 1 d D .
H4A H 0.511(3) 0.628(2) 0.6237(19) 0.025 Uiso 1 1 d D U
H4B H 0.527(3) 0.7649(17) 0.6377(18) 0.025 Uiso 1 1 d D U
H4C H 0.534(3) 0.685(3) 0.5386(16) 0.025 Uiso 1 1 d D U
C5 C 0.2488(2) 0.17964(18) 0.50960(15) 0.0167(3) Uani 1 1 d . .
C6 C 0.2678(2) 0.08530(18) 0.44678(15) 0.0154(3) Uani 1 1 d . .
C7 C 0.1476(2) 0.01008(18) 0.37000(15) 0.0158(3) Uani 1 1 d . .
C8 C 0.0520(2) 0.05726(19) 0.38530(16) 0.0178(4) Uani 1 1 d . .
C9 C 0.1146(2) 0.1617(2) 0.47048(16) 0.0182(4) Uani 1 1 d . .
C10 C 0.0430(3) 0.2288(3) 0.5177(2) 0.0320(6) Uani 1 1 d . .
H10A H -0.0148 0.2422 0.4677 0.048 Uiso 1 1 calc R U
H10B H 0.1093 0.3083 0.5651 0.048 Uiso 1 1 calc R U
H10C H -0.0121 0.1796 0.5510 0.048 Uiso 1 1 calc R U
C11 C -0.0971(2) -0.0044(3) 0.3350(2) 0.0282(5) Uani 1 1 d . .
H11A H -0.1227 0.0513 0.3077 0.042 Uiso 1 1 calc R U
H11B H -0.1459 -0.0246 0.3822 0.042 Uiso 1 1 calc R U
H11C H -0.1197 -0.0801 0.2824 0.042 Uiso 1 1 calc R U
C12 C 0.1229(3) -0.1095(2) 0.29746(17) 0.0226(4) Uani 1 1 d . .
H12A H 0.1934 -0.0947 0.2646 0.034 Uiso 1 1 calc R U
H12B H 0.0350 -0.1432 0.2490 0.034 Uiso 1 1 calc R U
H12C H 0.1244 -0.1682 0.3315 0.034 Uiso 1 1 calc R U
C13 C 0.3892(2) 0.0595(2) 0.46449(19) 0.0237(4) Uani 1 1 d . .
H13A H 0.4086 0.0355 0.4026 0.036 Uiso 1 1 calc R U
H13B H 0.3714 -0.0074 0.4923 0.036 Uiso 1 1 calc R U
H13C H 0.4668 0.1337 0.5101 0.036 Uiso 1 1 calc R U
C14 C 0.3458(3) 0.2707(2) 0.60575(16) 0.0250(4) Uani 1 1 d . .
H14A H 0.4381 0.2913 0.6030 0.037 Uiso 1 1 calc R U
H14B H 0.3308 0.2346 0.6575 0.037 Uiso 1 1 calc R U
H14C H 0.3318 0.3454 0.6194 0.037 Uiso 1 1 calc R U
C15 C 0.0880(2) 0.11713(19) 0.16209(14) 0.0164(3) Uani 1 1 d . .
C16 C 0.0982(2) 0.2385(2) 0.19135(15) 0.0181(4) Uani 1 1 d . .
C17 C 0.2329(3) 0.3216(2) 0.20407(16) 0.0225(4) Uani 1 1 d . .
C18 C 0.3055(2) 0.2509(2) 0.18427(16) 0.0230(4) Uani 1 1 d . .
C19 C 0.2167(2) 0.1253(2) 0.15942(15) 0.0193(4) Uani 1 1 d . .
C20 C 0.2493(3) 0.0190(3) 0.12148(19) 0.0324(6) Uani 1 1 d . .
H20A H 0.3242 0.0241 0.1707 0.049 Uiso 1 1 calc R U
H20B H 0.2745 0.0226 0.0616 0.049 Uiso 1 1 calc R U
H20C H 0.1702 -0.0588 0.1076 0.049 Uiso 1 1 calc R U
C21 C 0.4463(3) 0.2977(4) 0.1753(2) 0.0433(8) Uani 1 1 d . .
H21A H 0.4907 0.2505 0.1985 0.065 Uiso 1 1 calc R U
H21B H 0.4971 0.3849 0.2147 0.065 Uiso 1 1 calc R U
H21C H 0.4426 0.2882 0.1069 0.065 Uiso 1 1 calc R U
C22 C 0.2850(4) 0.4576(2) 0.2214(2) 0.0424(8) Uani 1 1 d . .
H22A H 0.3803 0.4991 0.2592 0.064 Uiso 1 1 calc R U
H22B H 0.2338 0.4899 0.2578 0.064 Uiso 1 1 calc R U
H22C H 0.2748 0.4724 0.1587 0.064 Uiso 1 1 calc R U
C23 C -0.0174(3) 0.2709(3) 0.1972(2) 0.0326(6) Uani 1 1 d . .
H23A H -0.0694 0.2260 0.2343 0.049 Uiso 1 1 calc R U
H23B H -0.0755 0.2482 0.1313 0.049 Uiso 1 1 calc R U
H23C H 0.0174 0.3596 0.2299 0.049 Uiso 1 1 calc R U
C24 C -0.0415(3) 0.0003(2) 0.12211(18) 0.0267(5) Uani 1 1 d . .
H24A H -0.1106 0.0143 0.1487 0.040 Uiso 1 1 calc R U
H24B H -0.0268 -0.0654 0.1409 0.040 Uiso 1 1 calc R U
H24C H -0.0714 -0.0237 0.0508 0.040 Uiso 1 1 calc R U
C25 C 0.7983(3) 0.5928(2) 0.17793(19) 0.0276(5) Uani 1 1 d . .
H25A H 0.7470 0.5748 0.2218 0.033 Uiso 1 1 calc R U
C26 C 0.7602(3) 0.6425(3) 0.11027(19) 0.0323(5) Uani 1 1 d . .
C27 C 0.8380(4) 0.6688(3) 0.0470(2) 0.0408(7) Uani 1 1 d . .
H27A H 0.8143 0.7043 0.0003 0.049 Uiso 1 1 calc R U
C28 C 0.9479(4) 0.6443(3) 0.0512(2) 0.0438(8) Uani 1 1 d . .
H28A H 0.9989 0.6620 0.0071 0.053 Uiso 1 1 calc R U
C29 C 0.9847(3) 0.5939(3) 0.1198(2) 0.0368(6) Uani 1 1 d . .
H29A H 1.0608 0.5768 0.1230 0.044 Uiso 1 1 calc R U
C30 C 0.9091(3) 0.5687(2) 0.1836(2) 0.0290(5) Uani 1 1 d . .
H30A H 0.9338 0.5349 0.2313 0.035 Uiso 1 1 calc R U
C31 C 0.6376(4) 0.6684(4) 0.1057(3) 0.0535(10) Uani 1 1 d . .
H31A H 0.5973 0.6449 0.1560 0.080 Uiso 1 1 calc R U
H31B H 0.5717 0.6207 0.0413 0.080 Uiso 1 1 calc R U
H31C H 0.6648 0.7564 0.1168 0.080 Uiso 1 1 calc R U
C32 C 0.5107(3) 0.9115(3) 0.0853(3) 0.0416(7) Uani 1 1 d . .
H32A H 0.5213 0.9181 0.0241 0.050 Uiso 1 1 calc R U
C33 C 0.4136(3) 0.8077(3) 0.0896(2) 0.0363(6) Uani 1 1 d . .
C34 C 0.4005(4) 0.7980(4) 0.1790(3) 0.0508(9) Uani 1 1 d . .
H34A H 0.3338 0.7249 0.1817 0.061 Uiso 1 1 calc R U
C35 C 0.4787(5) 0.8882(5) 0.2607(3) 0.0568(10) Uani 1 1 d . .
H35A H 0.4664 0.8785 0.3209 0.068 Uiso 1 1 calc R U
C36 C 0.5775(5) 0.9959(5) 0.2618(3) 0.0677(15) Uani 1 1 d . .
H36A H 0.6321 1.0594 0.3219 0.081 Uiso 1 1 calc R U
C37 C 0.5973(4) 1.0113(4) 0.1740(5) 0.0664(14) Uani 1 1 d . .
H37A H 0.6652 1.0847 0.1726 0.080 Uiso 1 1 calc R U
C38 C 0.3231(5) 0.7052(5) -0.0015(4) 0.0677(13) Uani 1 1 d . .
H38A H 0.2748 0.7355 -0.0436 0.101 Uiso 1 1 calc R U
H38B H 0.2582 0.6392 0.0146 0.101 Uiso 1 1 calc R U
H38C H 0.3765 0.6734 -0.0357 0.101 Uiso 1 1 calc R U
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'
Al Al 0.0645 0.0514 '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'
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
C7 Yb1 C16 116.00(7) . .
C7 Yb1 C6 31.52(6) . .
C16 Yb1 C6 147.51(7) . .
C7 Yb1 C8 31.83(6) . .
C16 Yb1 C8 100.93(7) . .
C6 Yb1 C8 52.14(6) . .
C7 Yb1 C15 89.46(6) . .
C16 Yb1 C15 31.64(6) . .
C6 Yb1 C15 119.14(6) . .
C8 Yb1 C15 87.00(7) . .
C7 Yb1 C9 52.36(6) . .
C16 Yb1 C9 116.07(7) . .
C6 Yb1 C9 52.13(7) . .
C8 Yb1 C9 31.36(7) . .
C15 Yb1 C9 114.31(7) . .
C7 Yb1 C19 93.20(7) . .
C16 Yb1 C19 52.25(7) . .
C6 Yb1 C19 112.52(7) . .
C8 Yb1 C19 106.36(7) . .
C15 Yb1 C19 31.45(7) . .
C9 Yb1 C19 137.64(7) . .
C7 Yb1 C5 52.44(6) . .
C16 Yb1 C5 147.62(7) . .
C6 Yb1 C5 31.64(6) . .
C8 Yb1 C5 52.17(7) . .
C15 Yb1 C5 138.42(6) . .
C9 Yb1 C5 31.57(7) . .
C19 Yb1 C5 143.57(7) . .
C7 Yb1 C1 131.45(6) . .
C16 Yb1 C1 87.83(7) . .
C6 Yb1 C1 115.06(6) . .
C8 Yb1 C1 106.34(7) . .
C15 Yb1 C1 119.11(6) . .
C9 Yb1 C1 79.43(6) . .
C19 Yb1 C1 132.14(7) . .
C5 Yb1 C1 84.28(6) . .
C7 Yb1 C17 141.08(7) . .
C16 Yb1 C17 31.57(7) . .
C6 Yb1 C17 163.35(8) . .
C8 Yb1 C17 132.50(7) . .
C15 Yb1 C17 51.99(7) . .
C9 Yb1 C17 142.12(8) . .
C19 Yb1 C17 51.91(7) . .
C5 Yb1 C17 164.50(7) . .
C1 Yb1 C17 80.24(7) . .
C7 Yb1 C18 122.63(7) . .
C16 Yb1 C18 51.99(7) . .
C6 Yb1 C18 132.38(7) . .
C8 Yb1 C18 136.62(7) . .
C15 Yb1 C18 51.67(7) . .
C9 Yb1 C18 165.92(8) . .
C19 Yb1 C18 31.13(7) . .
C5 Yb1 C18 159.79(7) . .
C1 Yb1 C18 105.54(7) . .
C17 Yb1 C18 31.31(8) . .
C7 Yb1 C4 106.49(6) . 2_666
C16 Yb1 C4 126.73(7) . 2_666
C6 Yb1 C4 79.47(6) . 2_666
C8 Yb1 C4 131.22(6) . 2_666
C15 Yb1 C4 127.41(6) . 2_666
C9 Yb1 C4 114.93(7) . 2_666
C19 Yb1 C4 96.62(7) . 2_666
C5 Yb1 C4 84.24(7) . 2_666
C1 Yb1 C4 87.12(6) . 2_666
C17 Yb1 C4 95.53(7) . 2_666
C18 Yb1 C4 78.77(7) . 2_666
C7 Yb1 H1A 151.1(4) . .
C16 Yb1 H1A 82.3(6) . .
C6 Yb1 H1A 127.2(6) . .
C8 Yb1 H1A 127.4(4) . .
C15 Yb1 H1A 113.2(6) . .
C9 Yb1 H1A 100.2(4) . .
C19 Yb1 H1A 115.5(5) . .
C5 Yb1 H1A 99.9(5) . .
C1 Yb1 H1A 21.2(4) . .
C17 Yb1 H1A 65.3(5) . .
C18 Yb1 H1A 86.2(4) . .
C4 Yb1 H1A 74.7(5) 2_666 .
C7 Yb1 H1B 123.3(6) . .
C16 Yb1 H1B 73.6(5) . .
C6 Yb1 H1B 120.0(6) . .
C8 Yb1 H1B 92.9(5) . .
C15 Yb1 H1B 102.5(5) . .
C9 Yb1 H1B 72.7(6) . .
C19 Yb1 H1B 124.7(6) . .
C5 Yb1 H1B 88.7(6) . .
C1 Yb1 H1B 21.5(4) . .
C17 Yb1 H1B 76.7(6) . .
C18 Yb1 H1B 107.0(6) . .
C4 Yb1 H1B 108.6(4) 2_666 .
H1A Yb1 H1B 37.1(5) . .
C7 Yb1 H1C 114.5(4) . .
C16 Yb1 H1C 108.3(4) . .
C6 Yb1 H1C 94.1(4) . .
C8 Yb1 H1C 96.4(6) . .
C15 Yb1 H1C 138.6(4) . .
C9 Yb1 H1C 65.9(5) . .
C19 Yb1 H1C 152.1(4) . .
C5 Yb1 H1C 64.0(4) . .
C1 Yb1 H1C 21.2(4) . .
C17 Yb1 H1C 100.7(4) . .
C18 Yb1 H1C 122.5(5) . .
C4 Yb1 H1C 79.5(6) 2_666 .
H1A Yb1 H1C 36.7(5) . .
H1B Yb1 H1C 36.3(5) . .
C2 Al1 C3 113.70(11) . .
C2 Al1 C1 108.58(10) . .
C3 Al1 C1 111.64(10) . .
C2 Al1 C4 111.76(9) . .
C3 Al1 C4 109.99(10) . .
C1 Al1 C4 100.39(9) . .
Al1 C1 Yb1 175.46(11) . .
Al1 C1 H1A 103.8(19) . .
Yb1 C1 H1A 74.8(19) . .
Al1 C1 H1B 109.3(19) . .
Yb1 C1 H1B 75.1(19) . .
H1A C1 H1B 115(2) . .
Al1 C1 H1C 100.3(19) . .
Yb1 C1 H1C 76.7(19) . .
H1A C1 H1C 115.0(19) . .
H1B C1 H1C 111.9(19) . .
Al1 C2 H2A 109.5 . .
Al1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
Al1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
Al1 C3 H3A 109.5 . .
Al1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
Al1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
Al1 C4 Yb1 173.15(10) . 2_666
Al1 C4 H4A 106.6(19) . .
Yb1 C4 H4A 76.6(19) 2_666 .
Al1 C4 H4B 111(2) . .
Yb1 C4 H4B 73(2) 2_666 .
H4A C4 H4B 113(2) . .
Al1 C4 H4C 103.7(19) . .
Yb1 C4 H4C 69.4(19) 2_666 .
H4A C4 H4C 111.0(19) . .
H4B C4 H4C 111(2) . .
C6 C5 C9 107.22(18) . .
C6 C5 C14 126.1(2) . .
C9 C5 C14 126.3(2) . .
C6 C5 Yb1 73.45(11) . .
C9 C5 Yb1 74.05(11) . .
C14 C5 Yb1 123.95(14) . .
C7 C6 C5 108.78(18) . .
C7 C6 C13 124.73(19) . .
C5 C6 C13 126.1(2) . .
C7 C6 Yb1 74.04(11) . .
C5 C6 Yb1 74.91(11) . .
C13 C6 Yb1 122.76(14) . .
C6 C7 C8 107.53(18) . .
C6 C7 C12 123.89(19) . .
C8 C7 C12 127.79(19) . .
C6 C7 Yb1 74.44(11) . .
C8 C7 Yb1 74.64(11) . .
C12 C7 Yb1 124.68(14) . .
C9 C8 C7 108.12(18) . .
C9 C8 C11 123.4(2) . .
C7 C8 C11 127.4(2) . .
C9 C8 Yb1 74.52(11) . .
C7 C8 Yb1 73.53(11) . .
C11 C8 Yb1 127.55(14) . .
C8 C9 C5 108.35(18) . .
C8 C9 C10 124.4(2) . .
C5 C9 C10 126.6(2) . .
C8 C9 Yb1 74.12(11) . .
C5 C9 Yb1 74.39(11) . .
C10 C9 Yb1 124.27(15) . .
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 . .
C8 C11 H11A 109.5 . .
C8 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C8 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C7 C12 H12A 109.5 . .
C7 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C7 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C6 C13 H13A 109.5 . .
C6 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C6 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C5 C14 H14A 109.5 . .
C5 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C5 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C19 C15 C16 108.11(19) . .
C19 C15 C24 125.4(2) . .
C16 C15 C24 125.5(2) . .
C19 C15 Yb1 74.59(11) . .
C16 C15 Yb1 73.60(12) . .
C24 C15 Yb1 126.68(14) . .
C15 C16 C17 107.86(19) . .
C15 C16 C23 125.4(2) . .
C17 C16 C23 126.5(2) . .
C15 C16 Yb1 74.76(11) . .
C17 C16 Yb1 75.46(12) . .
C23 C16 Yb1 120.61(15) . .
C18 C17 C16 107.7(2) . .
C18 C17 C22 125.6(3) . .
C16 C17 C22 126.3(3) . .
C18 C17 Yb1 74.75(12) . .
C16 C17 Yb1 72.97(12) . .
C22 C17 Yb1 124.38(16) . .
C19 C18 C17 108.36(19) . .
C19 C18 C21 124.6(3) . .
C17 C18 C21 126.4(3) . .
C19 C18 Yb1 73.66(12) . .
C17 C18 Yb1 73.94(12) . .
C21 C18 Yb1 125.61(16) . .
C18 C19 C15 108.00(19) . .
C18 C19 C20 125.1(2) . .
C15 C19 C20 126.2(2) . .
C18 C19 Yb1 75.21(12) . .
C15 C19 Yb1 73.96(11) . .
C20 C19 Yb1 124.06(15) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C18 C21 H21A 109.5 . .
C18 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C18 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C17 C22 H22A 109.5 . .
C17 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C17 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C16 C23 H23A 109.5 . .
C16 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C16 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C15 C24 H24A 109.5 . .
C15 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C15 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 C30 121.5(3) . .
C26 C25 H25A 119.2 . .
C30 C25 H25A 119.2 . .
C25 C26 C27 118.0(3) . .
C25 C26 C31 120.5(3) . .
C27 C26 C31 121.5(3) . .
C28 C27 C26 121.2(3) . .
C28 C27 H27A 119.4 . .
C26 C27 H27A 119.4 . .
C27 C28 C29 120.1(3) . .
C27 C28 H28A 119.9 . .
C29 C28 H28A 119.9 . .
C30 C29 C28 119.2(3) . .
C30 C29 H29A 120.4 . .
C28 C29 H29A 120.4 . .
C25 C30 C29 120.0(3) . .
C25 C30 H30A 120.0 . .
C29 C30 H30A 120.0 . .
C26 C31 H31A 109.5 . .
C26 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C26 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C33 C32 C37 119.9(4) . .
C33 C32 H32A 120.1 . .
C37 C32 H32A 120.1 . .
C32 C33 C34 119.7(4) . .
C32 C33 C38 120.1(4) . .
C34 C33 C38 120.2(4) . .
C35 C34 C33 121.3(4) . .
C35 C34 H34A 119.4 . .
C33 C34 H34A 119.4 . .
C34 C35 C36 122.3(4) . .
C34 C35 H35A 118.9 . .
C36 C35 H35A 118.9 . .
C35 C36 C37 119.5(4) . .
C35 C36 H36A 120.2 . .
C37 C36 H36A 120.2 . .
C36 C37 C32 117.4(4) . .
C36 C37 H37A 121.3 . .
C32 C37 H37A 121.3 . .
C33 C38 H38A 109.5 . .
C33 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C33 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 C7 2.5977(19) .
Yb1 C16 2.598(2) .
Yb1 C6 2.6029(19) .
Yb1 C8 2.612(2) .
Yb1 C15 2.613(2) .
Yb1 C9 2.617(2) .
Yb1 C19 2.621(2) .
Yb1 C5 2.622(2) .
Yb1 C1 2.625(2) .
Yb1 C17 2.630(2) .
Yb1 C18 2.640(2) .
Yb1 C4 2.643(2) 2_666
Yb1 H1A 2.55(3) .
Yb1 H1B 2.55(3) .
Yb1 H1C 2.58(3) .
Al1 C2 1.985(2) .
Al1 C3 1.988(2) .
Al1 C1 2.043(2) .
Al1 C4 2.055(2) .
C1 H1A 0.953(15) .
C1 H1B 0.970(15) .
C1 H1C 0.959(15) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 Yb1 2.643(2) 2_666
C4 H4A 0.959(15) .
C4 H4B 0.965(15) .
C4 H4C 0.974(15) .
C5 C6 1.424(3) .
C5 C9 1.425(3) .
C5 C14 1.502(3) .
C6 C7 1.413(3) .
C6 C13 1.506(3) .
C7 C8 1.429(3) .
C7 C12 1.507(3) .
C8 C9 1.413(3) .
C8 C11 1.506(3) .
C9 C10 1.502(3) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C19 1.418(3) .
C15 C16 1.420(3) .
C15 C24 1.509(3) .
C16 C17 1.422(3) .
C16 C23 1.507(3) .
C17 C18 1.422(4) .
C17 C22 1.503(3) .
C18 C19 1.412(3) .
C18 C21 1.507(3) .
C19 C20 1.510(3) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.375(4) .
C25 C30 1.378(4) .
C25 H25A 0.9500 .
C26 C27 1.398(5) .
C26 C31 1.520(5) .
C27 C28 1.371(6) .
C27 H27A 0.9500 .
C28 C29 1.388(5) .
C28 H28A 0.9500 .
C29 C30 1.387(4) .
C29 H29A 0.9500 .
C30 H30A 0.9500 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 C33 1.363(5) .
C32 C37 1.442(7) .
C32 H32A 0.9500 .
C33 C34 1.379(5) .
C33 C38 1.486(5) .
C34 C35 1.317(7) .
C34 H34A 0.9500 .
C35 C36 1.373(8) .
C35 H35A 0.9500 .
C36 C37 1.396(8) .
C36 H36A 0.9500 .
C37 H37A 0.9500 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
C9 C5 C6 C7 0.0(2)
C14 C5 C6 C7 172.82(19)
Yb1 C5 C6 C7 -66.89(14)
C9 C5 C6 C13 -173.3(2)
C14 C5 C6 C13 -0.5(3)
Yb1 C5 C6 C13 119.8(2)
C9 C5 C6 Yb1 66.90(14)
C14 C5 C6 Yb1 -120.3(2)
C5 C6 C7 C8 -0.4(2)
C13 C6 C7 C8 172.99(19)
Yb1 C6 C7 C8 -67.90(14)
C5 C6 C7 C12 -170.90(19)
C13 C6 C7 C12 2.5(3)
Yb1 C6 C7 C12 121.63(19)
C5 C6 C7 Yb1 67.47(14)
C13 C6 C7 Yb1 -119.1(2)
C6 C7 C8 C9 0.7(2)
C12 C7 C8 C9 170.7(2)
Yb1 C7 C8 C9 -67.08(14)
C6 C7 C8 C11 -167.2(2)
C12 C7 C8 C11 2.8(3)
Yb1 C7 C8 C11 125.0(2)
C6 C7 C8 Yb1 67.76(14)
C12 C7 C8 Yb1 -122.3(2)
C7 C8 C9 C5 -0.7(2)
C11 C8 C9 C5 167.82(19)
Yb1 C8 C9 C5 -67.10(14)
C7 C8 C9 C10 -172.6(2)
C11 C8 C9 C10 -4.1(3)
Yb1 C8 C9 C10 121.0(2)
C7 C8 C9 Yb1 66.41(14)
C11 C8 C9 Yb1 -125.1(2)
C6 C5 C9 C8 0.4(2)
C14 C5 C9 C8 -172.37(19)
Yb1 C5 C9 C8 66.92(14)
C6 C5 C9 C10 172.1(2)
C14 C5 C9 C10 -0.7(3)
Yb1 C5 C9 C10 -121.4(2)
C6 C5 C9 Yb1 -66.50(14)
C14 C5 C9 Yb1 120.7(2)
C19 C15 C16 C17 1.6(2)
C24 C15 C16 C17 -167.5(2)
Yb1 C15 C16 C17 68.83(15)
C19 C15 C16 C23 175.8(2)
C24 C15 C16 C23 6.7(3)
Yb1 C15 C16 C23 -117.0(2)
C19 C15 C16 Yb1 -67.19(14)
C24 C15 C16 Yb1 123.7(2)
C15 C16 C17 C18 -1.1(2)
C23 C16 C17 C18 -175.2(2)
Yb1 C16 C17 C18 67.29(15)
C15 C16 C17 C22 171.1(2)
C23 C16 C17 C22 -3.0(4)
Yb1 C16 C17 C22 -120.5(2)
C15 C16 C17 Yb1 -68.35(14)
C23 C16 C17 Yb1 117.5(2)
C16 C17 C18 C19 0.1(2)
C22 C17 C18 C19 -172.2(2)
Yb1 C17 C18 C19 66.17(15)
C16 C17 C18 C21 171.2(2)
C22 C17 C18 C21 -1.1(4)
Yb1 C17 C18 C21 -122.7(2)
C16 C17 C18 Yb1 -66.09(15)
C22 C17 C18 Yb1 121.6(2)
C17 C18 C19 C15 0.9(2)
C21 C18 C19 C15 -170.4(2)
Yb1 C18 C19 C15 67.28(14)
C17 C18 C19 C20 172.1(2)
C21 C18 C19 C20 0.8(4)
Yb1 C18 C19 C20 -121.5(2)
C17 C18 C19 Yb1 -66.36(15)
C21 C18 C19 Yb1 122.3(2)
C16 C15 C19 C18 -1.6(2)
C24 C15 C19 C18 167.5(2)
Yb1 C15 C19 C18 -68.12(15)
C16 C15 C19 C20 -172.7(2)
C24 C15 C19 C20 -3.6(3)
Yb1 C15 C19 C20 120.8(2)
C16 C15 C19 Yb1 66.54(14)
C24 C15 C19 Yb1 -124.4(2)
C30 C25 C26 C27 -0.4(4)
C30 C25 C26 C31 -179.9(3)
C25 C26 C27 C28 0.9(4)
C31 C26 C27 C28 -179.6(3)
C26 C27 C28 C29 -0.8(4)
C27 C28 C29 C30 0.0(4)
C26 C25 C30 C29 -0.4(4)
C28 C29 C30 C25 0.6(4)
C37 C32 C33 C34 -1.1(4)
C37 C32 C33 C38 179.3(3)
C32 C33 C34 C35 1.1(5)
C38 C33 C34 C35 -179.3(3)
C33 C34 C35 C36 -0.4(6)
C34 C35 C36 C37 -0.3(6)
C35 C36 C37 C32 0.3(5)
C33 C32 C37 C36 0.4(5)
