#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:03:15 +0100 (vie 25 de mar de 2016) $
#$Revision: 179738 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/34/7003484.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_7003484
loop_
_publ_author_name
'Sommerfeldt, Hanne-Marthe'
'Meermann, Christian'
'Schrems, Marcus G.'
'Törnroos, Karl W.'
'Frøystein, Nils Åge'
'Miller, Robert J.'
'Scheidt, Ernst-Wilhelm'
'Scherer, Wolfgang'
'Anwander, Reiner'
_publ_section_title
;
 Characterization and reactivity of peralkylated LnIIAlIII
 heterobimetallic complexes
;
_journal_issue                   14
_journal_name_full               'Dalton Transactions'
_journal_page_first              1899
_journal_page_last               1907
_journal_paper_doi               10.1039/b716603f
_journal_year                    2008
_chemical_formula_moiety         'C32 H80 Al4 Sm2'
_chemical_formula_sum            'C32 H80 Al4 Sm2'
_chemical_formula_weight         873.58
_chemical_name_systematic
;
?
;
_space_group_IT_number           145
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 32'
_symmetry_space_group_name_H-M   'P 32'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   11.8527(3)
_cell_length_b                   11.8527(3)
_cell_length_c                   27.0300(11)
_cell_measurement_reflns_used    24955
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      25.504
_cell_measurement_theta_min      2.260
_cell_volume                     3288.60(18)
_computing_cell_refinement
;
Bruker (2004). SAINT, version 6.45a, Bruker AXS Inc., Madison,
Wisconsin, USA.
;
_computing_data_collection
;
Bruker (1999). SMART, version 5.054, Bruker AXS Inc., Madison,
Wisconsin, USA.
;
_computing_data_reduction
;
Bruker (2004). SAINT, version 6.45a, Bruker AXS Inc., Madison,
Wisconsin, USA.
;
_computing_molecular_graphics
;
Brandenburg, K. (2005). DIAMOND. Version 3.1. Crystal Impact GbR, Bonn,
Germany.
;
_computing_publication_material
;
Bruker AXS (2003). SHELXTL. Version 6.14. Bruker AXS Inc., Madison,
Wisconsin, USA.
;
_computing_structure_refinement
;
Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of
Göttingen, Germany.
;
_computing_structure_solution
;
Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of
Göttingen, Germany.
;
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean '48 \um'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker-AXS SMART 2K CCD'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_av_sigmaI/netI    0.0290
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            40367
_diffrn_reflns_theta_full        25.54
_diffrn_reflns_theta_max         25.54
_diffrn_reflns_theta_min         2.12
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 1
_diffrn_standards_interval_time  28h
_diffrn_standards_number         919
_exptl_absorpt_coefficient_mu    2.749
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.526
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Sheldrick, G.M. (2003). SADABS. Version 2004/1. University of
Göttingen, Germany.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.323
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.231
_refine_diff_density_min         -1.868
_refine_diff_density_rms         0.119
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.03(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         8209
_refine_ls_number_restraints     269
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0506
_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)+(0.0509P)²+14.8073P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1196
_refine_ls_wR_factor_ref         0.1235
_reflns_number_gt                7602
_reflns_number_total             8209
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b716603f.txt
_cod_data_source_block           Compound2a
_cod_database_code               7003484
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sm1 Sm 1.32519(5) 1.07959(5) 0.46420(3) 0.05982(16) Uani 1 1 d . . .
Sm2 Sm 0.69718(4) 0.69043(4) 0.31757(3) 0.04867(12) Uani 1 1 d . . .
Al1 Al 1.5150(4) 0.9891(5) 0.48224(17) 0.0902(12) Uani 1 1 d D . .
Al2 Al 1.2265(3) 1.3329(3) 0.57705(13) 0.0637(8) Uani 1 1 d D . .
Al3 Al 0.9587(3) 0.7398(4) 0.38037(16) 0.0820(11) Uani 1 1 d D . .
Al4 Al 0.4425(3) 0.3953(3) 0.33000(11) 0.0561(7) Uani 1 1 d D . .
C1 C 1.628(2) 0.905(2) 0.4840(11) 0.212(14) Uani 1 1 d D . .
H1A H 1.6038 0.8465 0.5129 0.255 Uiso 1 1 calc R . .
H1B H 1.6131 0.8529 0.4537 0.255 Uiso 1 1 calc R . .
C2 C 1.772(2) 1.011(3) 0.4875(11) 0.25(2) Uani 1 1 d D . .
H2A H 1.8263 0.9695 0.4861 0.376 Uiso 1 1 calc R . .
H2B H 1.7881 1.0581 0.5188 0.376 Uiso 1 1 calc R . .
H2C H 1.7948 1.0716 0.4598 0.376 Uiso 1 1 calc R . .
C3 C 1.4901(17) 1.016(2) 0.4100(3) 0.157(11) Uani 1 1 d D . .
H3A H 1.4515 1.0733 0.4071 0.188 Uiso 1 1 calc R . .
H3B H 1.5754 1.0593 0.3929 0.188 Uiso 1 1 calc R . .
C4 C 1.3995(18) 0.884(3) 0.3858(9) 0.220(18) Uani 1 1 d D . .
H4A H 1.3868 0.8968 0.3509 0.331 Uiso 1 1 calc R . .
H4B H 1.3151 0.8418 0.4028 0.331 Uiso 1 1 calc R . .
H4C H 1.4387 0.8282 0.3883 0.331 Uiso 1 1 calc R . .
C5 C 1.3423(14) 0.889(3) 0.5177(8) 0.226(14) Uiso 1 1 d D . .
H5A H 1.2751 0.9039 0.5023 0.272 Uiso 1 1 calc R . .
H5B H 1.3111 0.7944 0.5182 0.272 Uiso 1 1 calc R . .
C6 C 1.378(3) 0.948(3) 0.5700(8) 0.196(12) Uani 1 1 d DU . .
H6A H 1.3002 0.9063 0.5911 0.294 Uiso 1 1 calc R . .
H6B H 1.4097 1.0417 0.5682 0.294 Uiso 1 1 calc R . .
H6C H 1.4456 0.9333 0.5839 0.294 Uiso 1 1 calc R . .
C7 C 1.593(4) 1.1688(15) 0.5125(12) 0.30(2) Uiso 1 1 d D . .
H7A H 1.5207 1.1876 0.5156 0.358 Uiso 1 1 calc R . .
H7B H 1.6188 1.1613 0.5466 0.358 Uiso 1 1 calc R . .
C8 C 1.708(2) 1.292(3) 0.4902(12) 0.219(14) Uani 1 1 d DU . .
H8A H 1.7334 1.3655 0.5126 0.328 Uiso 1 1 calc R . .
H8B H 1.6831 1.3104 0.4581 0.328 Uiso 1 1 calc R . .
H8C H 1.7823 1.2773 0.4858 0.328 Uiso 1 1 calc R . .
C9 C 1.4031(13) 1.4954(16) 0.570(2) 0.088(8) Uani 0.48(2) 1 d PD A 1
H9A H 1.4654 1.4904 0.5930 0.105 Uiso 0.48(2) 1 calc PR A 1
H9B H 1.4357 1.5004 0.5359 0.105 Uiso 0.48(2) 1 calc PR A 1
C9A C 1.371(2) 1.512(3) 0.5618(18) 0.088(8) Uani 0.52(2) 1 d PD A 2
H9A1 H 1.3642 1.5316 0.5267 0.105 Uiso 0.52(2) 1 calc PR A 2
H9A2 H 1.3596 1.5751 0.5823 0.105 Uiso 0.52(2) 1 calc PR A 2
C10 C 1.396(3) 1.619(2) 0.5812(11) 0.094(11) Uani 0.48(2) 1 d PD A 1
H10A H 1.4794 1.6961 0.5727 0.141 Uiso 0.48(2) 1 calc PR A 1
H10B H 1.3783 1.6214 0.6165 0.141 Uiso 0.48(2) 1 calc PR A 1
H10C H 1.3262 1.6183 0.5616 0.141 Uiso 0.48(2) 1 calc PR A 1
C10A C 1.507(2) 1.530(3) 0.5713(12) 0.099(10) Uani 0.52(2) 1 d PD A 2
H10D H 1.5726 1.6221 0.5664 0.148 Uiso 0.52(2) 1 calc PR A 2
H10E H 1.5226 1.4761 0.5482 0.148 Uiso 0.52(2) 1 calc PR A 2
H10F H 1.5115 1.5046 0.6054 0.148 Uiso 0.52(2) 1 calc PR A 2
C11 C 1.2092(10) 1.2694(11) 0.6477(2) 0.075(3) Uani 1 1 d D . .
H11A H 1.2212 1.3398 0.6706 0.089 Uiso 1 1 calc R . .
H11B H 1.1205 1.1945 0.6529 0.089 Uiso 1 1 calc R . .
C12 C 1.3101(15) 1.2279(18) 0.6599(6) 0.109(6) Uani 1 1 d D . .
H12A H 1.2980 1.1966 0.6941 0.163 Uiso 1 1 calc R A .
H12B H 1.3981 1.3027 0.6559 0.163 Uiso 1 1 calc R . .
H12C H 1.2984 1.1580 0.6374 0.163 Uiso 1 1 calc R . .
C13 C 1.0697(7) 1.3429(9) 0.5529(3) 0.055(2) Uani 1 1 d D . .
H13A H 0.9888 1.2594 0.5592 0.066 Uiso 1 1 calc R . .
H13B H 1.0639 1.4129 0.5706 0.066 Uiso 1 1 calc R . .
C14 C 1.0860(15) 1.3717(16) 0.4970(3) 0.093(4) Uani 1 1 d D . .
H14A H 1.0107 1.3763 0.4845 0.139 Uiso 1 1 calc R A .
H14B H 1.0918 1.3020 0.4797 0.139 Uiso 1 1 calc R . .
H14C H 1.1657 1.4550 0.4911 0.139 Uiso 1 1 calc R . .
C15 C 1.2338(9) 1.1939(7) 0.5360(4) 0.065(3) Uani 1 1 d D A .
H15A H 1.2364 1.2162 0.5006 0.078 Uiso 1 1 calc R . .
H15B H 1.3157 1.1944 0.5437 0.078 Uiso 1 1 calc R . .
C16 C 1.1184(8) 1.0554(8) 0.5444(4) 0.057(2) Uani 1 1 d D . .
H16A H 1.1287 0.9938 0.5234 0.085 Uiso 1 1 calc R A .
H16B H 1.0369 1.0532 0.5360 0.085 Uiso 1 1 calc R . .
H16C H 1.1163 1.0312 0.5792 0.085 Uiso 1 1 calc R . .
C17 C 1.0039(15) 0.6022(10) 0.3996(7) 0.118(6) Uani 1 1 d D . .
H17A H 1.0968 0.6350 0.3918 0.142 Uiso 1 1 calc R . .
H17B H 0.9931 0.5887 0.4358 0.142 Uiso 1 1 calc R . .
C18 C 0.921(2) 0.4702(15) 0.3737(9) 0.144(8) Uani 1 1 d D . .
H18A H 0.9493 0.4092 0.3848 0.216 Uiso 1 1 calc R . .
H18B H 0.9326 0.4819 0.3378 0.216 Uiso 1 1 calc R . .
H18C H 0.8292 0.4352 0.3821 0.216 Uiso 1 1 calc R . .
C19 C 1.0875(9) 0.9128(7) 0.4110(5) 0.084(4) Uani 1 1 d D . .
H19A H 1.0974 0.8986 0.4464 0.101 Uiso 1 1 calc R . .
H19B H 1.1733 0.9444 0.3950 0.101 Uiso 1 1 calc R . .
C20 C 1.0508(12) 1.0199(10) 0.4069(5) 0.082(4) Uani 1 1 d D . .
H20A H 1.1182 1.0996 0.4227 0.123 Uiso 1 1 calc R . .
H20B H 0.9671 0.9909 0.4233 0.123 Uiso 1 1 calc R . .
H20C H 1.0437 1.0373 0.3719 0.123 Uiso 1 1 calc R . .
C21 C 0.9625(8) 0.7767(14) 0.3070(2) 0.084(4) Uani 1 1 d D . .
H21A H 0.9063 0.6954 0.2885 0.101 Uiso 1 1 calc R . .
H21B H 0.9318 0.8392 0.3007 0.101 Uiso 1 1 calc R . .
C22 C 1.1058(10) 0.835(3) 0.2914(7) 0.173(12) Uani 1 1 d D . .
H22A H 1.1146 0.8570 0.2561 0.259 Uiso 1 1 calc R . .
H22B H 1.1340 0.7714 0.2974 0.259 Uiso 1 1 calc R . .
H22C H 1.1601 0.9140 0.3107 0.259 Uiso 1 1 calc R . .
C23 C 0.7883(7) 0.6979(12) 0.4132(3) 0.080(4) Uani 1 1 d D . .
H23A H 0.7672 0.7670 0.4055 0.096 Uiso 1 1 calc R . .
H23B H 0.7170 0.6142 0.4003 0.096 Uiso 1 1 calc R . .
C24 C 0.8009(18) 0.6886(18) 0.4695(4) 0.129(7) Uani 1 1 d D . .
H24A H 0.7194 0.6703 0.4855 0.193 Uiso 1 1 calc R . .
H24B H 0.8724 0.7713 0.4819 0.193 Uiso 1 1 calc R . .
H24C H 0.8190 0.6182 0.4769 0.193 Uiso 1 1 calc R . .
C25 C 0.4368(9) 0.5587(6) 0.3468(4) 0.071(3) Uani 1 1 d D . .
H25A H 0.5013 0.6084 0.3729 0.085 Uiso 1 1 calc R . .
H25B H 0.4578 0.6148 0.3172 0.085 Uiso 1 1 calc R . .
C26 C 0.2984(9) 0.5170(13) 0.3651(6) 0.097(5) Uani 1 1 d D . .
H26A H 0.2926 0.5946 0.3731 0.146 Uiso 1 1 calc R . .
H26B H 0.2792 0.4626 0.3947 0.146 Uiso 1 1 calc R . .
H26C H 0.2353 0.4673 0.3391 0.146 Uiso 1 1 calc R . .
C27 C 0.6190(7) 0.4294(8) 0.3061(4) 0.068(3) Uani 1 1 d D . .
H27A H 0.6448 0.4836 0.2759 0.081 Uiso 1 1 calc R . .
H27B H 0.6858 0.4761 0.3319 0.081 Uiso 1 1 calc R . .
C28 C 0.6074(14) 0.2966(9) 0.2952(6) 0.092(4) Uani 1 1 d D . .
H28A H 0.6917 0.3100 0.2838 0.138 Uiso 1 1 calc R . .
H28B H 0.5417 0.2517 0.2694 0.138 Uiso 1 1 calc R . .
H28C H 0.5813 0.2436 0.3253 0.138 Uiso 1 1 calc R . .
C29 C 0.4067(9) 0.2938(9) 0.3938(2) 0.058(2) Uani 1 1 d D . .
H29A H 0.3127 0.2529 0.4015 0.069 Uiso 1 1 calc R . .
H29B H 0.4269 0.2230 0.3888 0.069 Uiso 1 1 calc R . .
C30 C 0.4850(14) 0.3761(14) 0.4383(4) 0.112(6) Uani 1 1 d D . .
H30A H 0.4623 0.3206 0.4677 0.168 Uiso 1 1 calc R . .
H30B H 0.4642 0.4453 0.4442 0.168 Uiso 1 1 calc R . .
H30C H 0.5783 0.4151 0.4315 0.168 Uiso 1 1 calc R . .
C31 C 0.3068(10) 0.2893(12) 0.2784(3) 0.090(4) Uani 1 1 d D . .
H31A H 0.3057 0.2063 0.2725 0.108 Uiso 1 1 calc R . .
H31B H 0.2195 0.2687 0.2903 0.108 Uiso 1 1 calc R . .
C32 C 0.3393(18) 0.3678(17) 0.2301(5) 0.130(7) Uani 1 1 d D . .
H32A H 0.2725 0.3175 0.2052 0.196 Uiso 1 1 calc R . .
H32B H 0.4245 0.3854 0.2180 0.196 Uiso 1 1 calc R . .
H32C H 0.3415 0.4503 0.2362 0.196 Uiso 1 1 calc R . .
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'
Sm Sm -0.1638 3.4418 '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
_geom_angle_publ_flag
C5 Sm1 C3 73.3(4) . . ?
C5 Sm1 C15 103.3(5) . . ?
C3 Sm1 C15 161.7(4) . . ?
C5 Sm1 C19 98.4(5) . . ?
C3 Sm1 C19 97.3(4) . . ?
C15 Sm1 C19 101.0(3) . . ?
C5 Sm1 C29 156.9(3) . 1_665 ?
C3 Sm1 C29 85.5(4) . 1_665 ?
C15 Sm1 C29 94.0(3) . 1_665 ?
C19 Sm1 C29 93.2(3) . 1_665 ?
C5 Sm1 Al1 41.0(2) . . ?
C3 Sm1 Al1 40.72(13) . . ?
C15 Sm1 Al1 126.2(3) . . ?
C19 Sm1 Al1 119.3(2) . . ?
C29 Sm1 Al1 116.0(2) 1_665 . ?
C13 Sm2 C27 94.6(3) 2_764 . ?
C13 Sm2 C11 75.45(18) 2_764 2_764 ?
C27 Sm2 C11 167.2(3) . 2_764 ?
C13 Sm2 C23 168.2(3) 2_764 . ?
C27 Sm2 C23 92.7(4) . . ?
C11 Sm2 C23 98.5(3) 2_764 . ?
C13 Sm2 C25 97.5(3) 2_764 . ?
C27 Sm2 C25 75.35(18) . . ?
C11 Sm2 C25 97.7(3) 2_764 . ?
C23 Sm2 C25 93.3(3) . . ?
C13 Sm2 C21 95.4(2) 2_764 . ?
C27 Sm2 C21 94.8(3) . . ?
C11 Sm2 C21 94.1(4) 2_764 . ?
C23 Sm2 C21 74.66(18) . . ?
C25 Sm2 C21 164.3(3) . . ?
C13 Sm2 Al2 38.00(10) 2_764 2_764 ?
C27 Sm2 Al2 130.8(3) . 2_764 ?
C11 Sm2 Al2 37.93(11) 2_764 2_764 ?
C23 Sm2 Al2 136.4(3) . 2_764 ?
C25 Sm2 Al2 95.0(2) . 2_764 ?
C21 Sm2 Al2 100.6(2) . 2_764 ?
C13 Sm2 Al4 97.21(19) 2_764 . ?
C27 Sm2 Al4 37.74(10) . . ?
C11 Sm2 Al4 134.3(2) 2_764 . ?
C23 Sm2 Al4 94.2(2) . . ?
C25 Sm2 Al4 37.61(10) . . ?
C21 Sm2 Al4 131.6(3) . . ?
Al2 Sm2 Al4 117.53(8) 2_764 . ?
C13 Sm2 Al3 132.9(2) 2_764 . ?
C27 Sm2 Al3 90.9(2) . . ?
C11 Sm2 Al3 101.8(2) 2_764 . ?
C23 Sm2 Al3 37.51(11) . . ?
C25 Sm2 Al3 128.9(3) . . ?
C21 Sm2 Al3 37.49(11) . . ?
Al2 Sm2 Al3 128.04(10) 2_764 . ?
Al4 Sm2 Al3 114.40(9) . . ?
C5 Al1 C7 102.8(12) . . ?
C5 Al1 C1 115.1(14) . . ?
C7 Al1 C1 116.1(15) . . ?
C5 Al1 C3 111.4(9) . . ?
C7 Al1 C3 104.4(13) . . ?
C1 Al1 C3 106.6(10) . . ?
C5 Al1 Sm1 64.1(11) . . ?
C7 Al1 Sm1 73.5(14) . . ?
C1 Al1 Sm1 169.6(8) . . ?
C3 Al1 Sm1 65.6(4) . . ?
C9A Al2 C15 113.0(14) . . ?
C9A Al2 C9 16.0(13) . . ?
C15 Al2 C9 106.2(12) . . ?
C9A Al2 C11 117.7(14) . . ?
C15 Al2 C11 104.6(5) . . ?
C9 Al2 C11 107.8(16) . . ?
C9A Al2 C13 101.1(8) . . ?
C15 Al2 C13 106.5(4) . . ?
C9 Al2 C13 117.1(10) . . ?
C11 Al2 C13 113.6(4) . . ?
C9A Al2 Sm2 117.9(13) . 3_675 ?
C15 Al2 Sm2 128.4(3) . 3_675 ?
C9 Al2 Sm2 125.1(12) . 3_675 ?
C11 Al2 Sm2 57.5(3) . 3_675 ?
C13 Al2 Sm2 57.0(2) . 3_675 ?
C17 Al3 C19 110.0(5) . . ?
C17 Al3 C21 116.1(7) . . ?
C19 Al3 C21 104.9(6) . . ?
C17 Al3 C23 108.9(7) . . ?
C19 Al3 C23 102.9(5) . . ?
C21 Al3 C23 113.1(4) . . ?
C17 Al3 Sm2 126.2(4) . . ?
C19 Al3 Sm2 123.6(4) . . ?
C21 Al3 Sm2 57.0(3) . . ?
C23 Al3 Sm2 56.8(3) . . ?
C29 Al4 C31 110.7(5) . . ?
C29 Al4 C25 106.3(4) . . ?
C31 Al4 C25 110.6(6) . . ?
C29 Al4 C27 106.2(4) . . ?
C31 Al4 C27 109.0(6) . . ?
C25 Al4 C27 113.9(4) . . ?
C29 Al4 Sm2 121.7(3) . . ?
C31 Al4 Sm2 127.6(4) . . ?
C25 Al4 Sm2 57.3(2) . . ?
C27 Al4 Sm2 56.7(2) . . ?
C2 C1 Al1 110.2(13) . . ?
C2 C1 H1A 109.6 . . ?
Al1 C1 H1A 109.6 . . ?
C2 C1 H1B 109.6 . . ?
Al1 C1 H1B 109.6 . . ?
H1A C1 H1B 108.1 . . ?
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 . . ?
C4 C3 Al1 109.3(12) . . ?
C4 C3 Sm1 105.6(11) . . ?
Al1 C3 Sm1 73.6(4) . . ?
C4 C3 H3A 109.8 . . ?
Al1 C3 H3A 109.8 . . ?
Sm1 C3 H3A 40.9 . . ?
C4 C3 H3B 109.8 . . ?
Al1 C3 H3B 109.8 . . ?
Sm1 C3 H3B 140.3 . . ?
H3A C3 H3B 108.3 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 Al1 101.7(14) . . ?
C6 C5 Sm1 103(2) . . ?
Al1 C5 Sm1 74.9(9) . . ?
C6 C5 H5A 111.4 . . ?
Al1 C5 H5A 111.4 . . ?
Sm1 C5 H5A 40.7 . . ?
C6 C5 H5B 111.4 . . ?
Al1 C5 H5B 111.4 . . ?
Sm1 C5 H5B 142.3 . . ?
H5A C5 H5B 109.3 . . ?
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 . . ?
C8 C7 Al1 124.1(19) . . ?
C8 C7 H7A 106.3 . . ?
Al1 C7 H7A 106.3 . . ?
C8 C7 H7B 106.3 . . ?
Al1 C7 H7B 106.3 . . ?
H7A C7 H7B 106.4 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 Al2 111.5(13) . . ?
C10 C9 H9A 109.3 . . ?
Al2 C9 H9A 109.3 . . ?
C10 C9 H9B 109.3 . . ?
Al2 C9 H9B 109.3 . . ?
H9A C9 H9B 108.0 . . ?
C10A C9A Al2 113(2) . . ?
C10A C9A H9A1 108.9 . . ?
Al2 C9A H9A1 108.9 . . ?
C10A C9A H9A2 108.9 . . ?
Al2 C9A H9A2 108.9 . . ?
H9A1 C9A H9A2 107.7 . . ?
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 . . ?
C9A C10A H10D 109.5 . . ?
C9A C10A H10E 109.5 . . ?
H10D C10A H10E 109.5 . . ?
C9A C10A H10F 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
C12 C11 Al2 111.7(9) . . ?
C12 C11 Sm2 163.1(9) . 3_675 ?
Al2 C11 Sm2 84.6(3) . 3_675 ?
C12 C11 H11A 109.3 . . ?
Al2 C11 H11A 109.3 . . ?
Sm2 C11 H11A 67.3 3_675 . ?
C12 C11 H11B 109.3 . . ?
Al2 C11 H11B 109.3 . . ?
Sm2 C11 H11B 58.8 3_675 . ?
H11A C11 H11B 107.9 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 Al2 108.2(7) . . ?
C14 C13 Sm2 166.6(7) . 3_675 ?
Al2 C13 Sm2 85.0(3) . 3_675 ?
C14 C13 H13A 110.1 . . ?
Al2 C13 H13A 110.1 . . ?
Sm2 C13 H13A 65.9 3_675 . ?
C14 C13 H13B 110.1 . . ?
Al2 C13 H13B 110.1 . . ?
Sm2 C13 H13B 61.7 3_675 . ?
H13A C13 H13B 108.4 . . ?
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 . . ?
C16 C15 Al2 114.2(6) . . ?
C16 C15 Sm1 86.6(4) . . ?
Al2 C15 Sm1 159.2(4) . . ?
C16 C15 H15A 108.7 . . ?
Al2 C15 H15A 108.7 . . ?
Sm1 C15 H15A 60.2 . . ?
C16 C15 H15B 108.7 . . ?
Al2 C15 H15B 108.7 . . ?
Sm1 C15 H15B 62.9 . . ?
H15A C15 H15B 107.6 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 Al3 114.4(9) . . ?
C18 C17 H17A 108.7 . . ?
Al3 C17 H17A 108.7 . . ?
C18 C17 H17B 108.7 . . ?
Al3 C17 H17B 108.7 . . ?
H17A C17 H17B 107.6 . . ?
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 . . ?
C20 C19 Al3 115.2(7) . . ?
C20 C19 Sm1 93.0(5) . . ?
Al3 C19 Sm1 151.8(5) . . ?
C20 C19 H19A 108.5 . . ?
Al3 C19 H19A 108.5 . . ?
Sm1 C19 H19A 58.4 . . ?
C20 C19 H19B 108.5 . . ?
Al3 C19 H19B 108.5 . . ?
Sm1 C19 H19B 59.5 . . ?
H19A C19 H19B 107.5 . . ?
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 . . ?
C22 C21 Al3 105.4(9) . . ?
C22 C21 Sm2 168.7(10) . . ?
Al3 C21 Sm2 85.5(3) . . ?
C22 C21 H21A 110.7 . . ?
Al3 C21 H21A 110.7 . . ?
Sm2 C21 H21A 67.0 . . ?
C22 C21 H21B 110.7 . . ?
Al3 C21 H21B 110.7 . . ?
Sm2 C21 H21B 61.5 . . ?
H21A C21 H21B 108.8 . . ?
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 . . ?
C24 C23 Al3 109.2(9) . . ?
C24 C23 Sm2 164.9(8) . . ?
Al3 C23 Sm2 85.7(3) . . ?
C24 C23 H23A 109.8 . . ?
Al3 C23 H23A 109.8 . . ?
Sm2 C23 H23A 65.1 . . ?
C24 C23 H23B 109.8 . . ?
Al3 C23 H23B 109.8 . . ?
Sm2 C23 H23B 61.3 . . ?
H23A C23 H23B 108.3 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 Al4 107.8(7) . . ?
C26 C25 Sm2 167.1(6) . . ?
Al4 C25 Sm2 85.1(2) . . ?
C26 C25 H25A 110.2 . . ?
Al4 C25 H25A 110.2 . . ?
Sm2 C25 H25A 63.8 . . ?
C26 C25 H25B 110.2 . . ?
Al4 C25 H25B 110.2 . . ?
Sm2 C25 H25B 63.8 . . ?
H25A C25 H25B 108.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 Al4 107.6(6) . . ?
C28 C27 Sm2 166.8(6) . . ?
Al4 C27 Sm2 85.6(2) . . ?
C28 C27 H27A 110.2 . . ?
Al4 C27 H27A 110.2 . . ?
Sm2 C27 H27A 62.9 . . ?
C28 C27 H27B 110.2 . . ?
Al4 C27 H27B 110.2 . . ?
Sm2 C27 H27B 64.5 . . ?
H27A C27 H27B 108.5 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 Al4 114.2(7) . . ?
C30 C29 Sm1 82.7(6) . 1_445 ?
Al4 C29 Sm1 162.1(5) . 1_445 ?
C30 C29 H29A 108.7 . . ?
Al4 C29 H29A 108.7 . . ?
Sm1 C29 H29A 68.6 1_445 . ?
C30 C29 H29B 108.7 . . ?
Al4 C29 H29B 108.7 . . ?
Sm1 C29 H29B 57.8 1_445 . ?
H29A C29 H29B 107.6 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 Al4 109.2(8) . . ?
C32 C31 H31A 109.8 . . ?
Al4 C31 H31A 109.8 . . ?
C32 C31 H31B 109.8 . . ?
Al4 C31 H31B 109.8 . . ?
H31A C31 H31B 108.3 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sm1 C5 2.77(4) . ?
Sm1 C3 2.827(15) . ?
Sm1 C15 2.871(6) . ?
Sm1 C19 2.888(8) . ?
Sm1 C29 2.924(6) 1_665 ?
Sm1 Al1 2.978(4) . ?
Sm2 C13 2.763(8) 2_764 ?
Sm2 C27 2.768(8) . ?
Sm2 C11 2.781(10) 2_764 ?
Sm2 C23 2.785(10) . ?
Sm2 C25 2.787(8) . ?
Sm2 C21 2.793(9) . ?
Sm2 Al2 3.282(3) 2_764 ?
Sm2 Al4 3.302(3) . ?
Sm2 Al3 3.320(4) . ?
Al1 C5 2.022(5) . ?
Al1 C7 2.023(5) . ?
Al1 C1 2.025(5) . ?
Al1 C3 2.025(5) . ?
Al2 C9A 1.99(3) . ?
Al2 C15 2.024(5) . ?
Al2 C9 2.024(5) . ?
Al2 C11 2.026(5) . ?
Al2 C13 2.028(5) . ?
Al2 Sm2 3.282(3) 3_675 ?
Al3 C17 2.022(5) . ?
Al3 C19 2.023(5) . ?
Al3 C21 2.027(5) . ?
Al3 C23 2.027(5) . ?
Al4 C29 2.022(5) . ?
Al4 C31 2.022(5) . ?
Al4 C25 2.022(5) . ?
Al4 C27 2.027(5) . ?
C1 C2 1.537(6) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.537(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.539(6) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.537(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.538(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9A C10A 1.538(6) . ?
C9A H9A1 0.9900 . ?
C9A H9A2 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10A H10D 0.9800 . ?
C10A H10E 0.9800 . ?
C10A H10F 0.9800 . ?
C11 C12 1.538(6) . ?
C11 Sm2 2.781(10) 3_675 ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.540(6) . ?
C13 Sm2 2.763(8) 3_675 ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.539(6) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.538(6) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.538(6) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.539(6) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.539(6) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.539(6) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.538(6) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.536(6) . ?
C29 Sm1 2.924(6) 1_445 ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.537(6) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 Sm1 Al1 C5 -131.7(10) . . . . ?
C15 Sm1 Al1 C5 65.9(8) . . . . ?
C19 Sm1 Al1 C5 -67.0(8) . . . . ?
C29 Sm1 Al1 C5 -177.1(7) 1_665 . . . ?
C5 Sm1 Al1 C7 -113.6(12) . . . . ?
C3 Sm1 Al1 C7 114.7(12) . . . . ?
C15 Sm1 Al1 C7 -47.6(10) . . . . ?
C19 Sm1 Al1 C7 179.4(10) . . . . ?
C29 Sm1 Al1 C7 69.3(10) 1_665 . . . ?
C5 Sm1 Al1 C1 88(5) . . . . ?
C3 Sm1 Al1 C1 -44(5) . . . . ?
C15 Sm1 Al1 C1 154(5) . . . . ?
C19 Sm1 Al1 C1 21(5) . . . . ?
C29 Sm1 Al1 C1 -89(5) 1_665 . . . ?
C5 Sm1 Al1 C3 131.7(10) . . . . ?
C15 Sm1 Al1 C3 -162.4(7) . . . . ?
C19 Sm1 Al1 C3 64.7(8) . . . . ?
C29 Sm1 Al1 C3 -45.5(7) 1_665 . . . ?
C13 Sm2 Al3 C17 -100.3(8) 2_764 . . . ?
C27 Sm2 Al3 C17 -3.3(8) . . . . ?
C11 Sm2 Al3 C17 178.6(8) 2_764 . . . ?
C23 Sm2 Al3 C17 90.0(9) . . . . ?
C25 Sm2 Al3 C17 68.5(8) . . . . ?
C21 Sm2 Al3 C17 -100.1(9) . . . . ?
Al2 Sm2 Al3 C17 -150.6(8) 2_764 . . . ?
Al4 Sm2 Al3 C17 27.3(8) . . . . ?
C13 Sm2 Al3 C19 86.1(5) 2_764 . . . ?
C27 Sm2 Al3 C19 -176.8(5) . . . . ?
C11 Sm2 Al3 C19 5.1(5) 2_764 . . . ?
C23 Sm2 Al3 C19 -83.5(6) . . . . ?
C25 Sm2 Al3 C19 -105.0(5) . . . . ?
C21 Sm2 Al3 C19 86.4(7) . . . . ?
Al2 Sm2 Al3 C19 35.8(5) 2_764 . . . ?
Al4 Sm2 Al3 C19 -146.3(5) . . . . ?
C13 Sm2 Al3 C21 -0.3(6) 2_764 . . . ?
C27 Sm2 Al3 C21 96.8(5) . . . . ?
C11 Sm2 Al3 C21 -81.3(5) 2_764 . . . ?
C23 Sm2 Al3 C21 -169.9(7) . . . . ?
C25 Sm2 Al3 C21 168.6(5) . . . . ?
Al2 Sm2 Al3 C21 -50.6(5) 2_764 . . . ?
Al4 Sm2 Al3 C21 127.3(5) . . . . ?
C13 Sm2 Al3 C23 169.6(5) 2_764 . . . ?
C27 Sm2 Al3 C23 -93.3(5) . . . . ?
C11 Sm2 Al3 C23 88.6(5) 2_764 . . . ?
C25 Sm2 Al3 C23 -21.5(5) . . . . ?
C21 Sm2 Al3 C23 169.9(7) . . . . ?
Al2 Sm2 Al3 C23 119.3(5) 2_764 . . . ?
Al4 Sm2 Al3 C23 -62.8(5) . . . . ?
C13 Sm2 Al4 C29 177.3(4) 2_764 . . . ?
C27 Sm2 Al4 C29 89.2(6) . . . . ?
C11 Sm2 Al4 C29 -106.0(4) 2_764 . . . ?
C23 Sm2 Al4 C29 0.2(4) . . . . ?
C25 Sm2 Al4 C29 -89.7(5) . . . . ?
C21 Sm2 Al4 C29 73.4(4) . . . . ?
Al2 Sm2 Al4 C29 -148.7(3) 2_764 . . . ?
Al3 Sm2 Al4 C29 33.1(4) . . . . ?
C13 Sm2 Al4 C31 -1.0(6) 2_764 . . . ?
C27 Sm2 Al4 C31 -89.2(7) . . . . ?
C11 Sm2 Al4 C31 75.7(6) 2_764 . . . ?
C23 Sm2 Al4 C31 -178.1(6) . . . . ?
C25 Sm2 Al4 C31 91.9(7) . . . . ?
C21 Sm2 Al4 C31 -104.9(6) . . . . ?
Al2 Sm2 Al4 C31 32.9(6) 2_764 . . . ?
Al3 Sm2 Al4 C31 -145.2(6) . . . . ?
C13 Sm2 Al4 C25 -92.9(4) 2_764 . . . ?
C27 Sm2 Al4 C25 178.9(6) . . . . ?
C11 Sm2 Al4 C25 -16.3(5) 2_764 . . . ?
C23 Sm2 Al4 C25 90.0(5) . . . . ?
C21 Sm2 Al4 C25 163.2(5) . . . . ?
Al2 Sm2 Al4 C25 -59.0(4) 2_764 . . . ?
Al3 Sm2 Al4 C25 122.8(4) . . . . ?
C13 Sm2 Al4 C27 88.2(5) 2_764 . . . ?
C11 Sm2 Al4 C27 164.9(5) 2_764 . . . ?
C23 Sm2 Al4 C27 -88.9(5) . . . . ?
C25 Sm2 Al4 C27 -178.9(6) . . . . ?
C21 Sm2 Al4 C27 -15.7(5) . . . . ?
Al2 Sm2 Al4 C27 122.1(4) 2_764 . . . ?
Al3 Sm2 Al4 C27 -56.0(4) . . . . ?
C5 Al1 C1 C2 -144.5(19) . . . . ?
C7 Al1 C1 C2 -24(3) . . . . ?
C3 Al1 C1 C2 91(2) . . . . ?
Sm1 Al1 C1 C2 132(4) . . . . ?
C5 Al1 C3 C4 -55.0(16) . . . . ?
C7 Al1 C3 C4 -165.3(16) . . . . ?
C1 Al1 C3 C4 71.3(14) . . . . ?
Sm1 Al1 C3 C4 -101.2(12) . . . . ?
C5 Al1 C3 Sm1 46.2(11) . . . . ?
C7 Al1 C3 Sm1 -64.0(12) . . . . ?
C1 Al1 C3 Sm1 172.5(8) . . . . ?
C5 Sm1 C3 C4 75.3(13) . . . . ?
C15 Sm1 C3 C4 157.1(16) . . . . ?
C19 Sm1 C3 C4 -21.3(12) . . . . ?
C29 Sm1 C3 C4 -114.0(12) 1_665 . . . ?
Al1 Sm1 C3 C4 106.0(13) . . . . ?
C5 Sm1 C3 Al1 -30.8(6) . . . . ?
C15 Sm1 C3 Al1 51.1(15) . . . . ?
C19 Sm1 C3 Al1 -127.3(6) . . . . ?
C29 Sm1 C3 Al1 140.0(6) 1_665 . . . ?
C7 Al1 C5 C6 -36(3) . . . . ?
C1 Al1 C5 C6 91(2) . . . . ?
C3 Al1 C5 C6 -147.3(19) . . . . ?
Sm1 Al1 C5 C6 -100(2) . . . . ?
C7 Al1 C5 Sm1 64.3(15) . . . . ?
C1 Al1 C5 Sm1 -168.5(9) . . . . ?
C3 Al1 C5 Sm1 -46.9(9) . . . . ?
C3 Sm1 C5 C6 129.4(13) . . . . ?
C15 Sm1 C5 C6 -31.9(13) . . . . ?
C19 Sm1 C5 C6 -135.4(12) . . . . ?
C29 Sm1 C5 C6 105.4(17) 1_665 . . . ?
Al1 Sm1 C5 C6 98.9(13) . . . . ?
C3 Sm1 C5 Al1 30.6(6) . . . . ?
C15 Sm1 C5 Al1 -130.8(5) . . . . ?
C19 Sm1 C5 Al1 125.8(6) . . . . ?
C29 Sm1 C5 Al1 6.5(17) 1_665 . . . ?
C5 Al1 C7 C8 -164(3) . . . . ?
C1 Al1 C7 C8 69(4) . . . . ?
C3 Al1 C7 C8 -48(4) . . . . ?
Sm1 Al1 C7 C8 -107(4) . . . . ?
C9A Al2 C9 C10 40(8) . . . . ?
C15 Al2 C9 C10 158(3) . . . . ?
C11 Al2 C9 C10 -91(3) . . . . ?
C13 Al2 C9 C10 39(4) . . . . ?
Sm2 Al2 C9 C10 -28(4) 3_675 . . . ?
C15 Al2 C9A C10A -60(3) . . . . ?
C9 Al2 C9A C10A 7(7) . . . . ?
C11 Al2 C9A C10A 62(3) . . . . ?
C13 Al2 C9A C10A -174(3) . . . . ?
Sm2 Al2 C9A C10A 128(3) 3_675 . . . ?
C9A Al2 C11 C12 -77.7(14) . . . . ?
C15 Al2 C11 C12 48.7(10) . . . . ?
C9 Al2 C11 C12 -64.0(13) . . . . ?
C13 Al2 C11 C12 164.5(9) . . . . ?
Sm2 Al2 C11 C12 175.3(10) 3_675 . . . ?
C9A Al2 C11 Sm2 107.0(11) . . . 3_675 ?
C15 Al2 C11 Sm2 -126.6(3) . . . 3_675 ?
C9 Al2 C11 Sm2 120.7(9) . . . 3_675 ?
C13 Al2 C11 Sm2 -10.8(5) . . . 3_675 ?
C9A Al2 C13 C14 61.5(17) . . . . ?
C15 Al2 C13 C14 -56.8(9) . . . . ?
C9 Al2 C13 C14 61.8(19) . . . . ?
C11 Al2 C13 C14 -171.5(8) . . . . ?
Sm2 Al2 C13 C14 177.7(9) 3_675 . . . ?
C9A Al2 C13 Sm2 -116.2(15) . . . 3_675 ?
C15 Al2 C13 Sm2 125.5(3) . . . 3_675 ?
C9 Al2 C13 Sm2 -115.9(17) . . . 3_675 ?
C11 Al2 C13 Sm2 10.9(5) . . . 3_675 ?
C9A Al2 C15 C16 -176.0(12) . . . . ?
C9 Al2 C15 C16 168.6(16) . . . . ?
C11 Al2 C15 C16 54.7(9) . . . . ?
C13 Al2 C15 C16 -65.8(9) . . . . ?
Sm2 Al2 C15 C16 -5.1(11) 3_675 . . . ?
C9A Al2 C15 Sm1 0(2) . . . . ?
C9 Al2 C15 Sm1 -15(2) . . . . ?
C11 Al2 C15 Sm1 -129.4(16) . . . . ?
C13 Al2 C15 Sm1 110.1(16) . . . . ?
Sm2 Al2 C15 Sm1 170.7(14) 3_675 . . . ?
C5 Sm1 C15 C16 -56.0(7) . . . . ?
C3 Sm1 C15 C16 -132.9(11) . . . . ?
C19 Sm1 C15 C16 45.5(7) . . . . ?
C29 Sm1 C15 C16 139.5(6) 1_665 . . . ?
Al1 Sm1 C15 C16 -93.9(6) . . . . ?
C5 Sm1 C15 Al2 127.8(17) . . . . ?
C3 Sm1 C15 Al2 51(2) . . . . ?
C19 Sm1 C15 Al2 -130.8(17) . . . . ?
C29 Sm1 C15 Al2 -36.7(17) 1_665 . . . ?
Al1 Sm1 C15 Al2 89.8(17) . . . . ?
C19 Al3 C17 C18 -173.6(14) . . . . ?
C21 Al3 C17 C18 -54.7(17) . . . . ?
C23 Al3 C17 C18 74.3(16) . . . . ?
Sm2 Al3 C17 C18 12.2(19) . . . . ?
C17 Al3 C19 C20 -169.8(10) . . . . ?
C21 Al3 C19 C20 64.7(10) . . . . ?
C23 Al3 C19 C20 -53.9(10) . . . . ?
Sm2 Al3 C19 C20 4.7(11) . . . . ?
C17 Al3 C19 Sm1 9.0(15) . . . . ?
C21 Al3 C19 Sm1 -116.5(12) . . . . ?
C23 Al3 C19 Sm1 124.9(12) . . . . ?
Sm2 Al3 C19 Sm1 -176.6(10) . . . . ?
C5 Sm1 C19 C20 151.5(8) . . . . ?
C3 Sm1 C19 C20 -134.4(8) . . . . ?
C15 Sm1 C19 C20 46.1(8) . . . . ?
C29 Sm1 C19 C20 -48.6(7) 1_665 . . . ?
Al1 Sm1 C19 C20 -170.9(6) . . . . ?
C5 Sm1 C19 Al3 -27.4(13) . . . . ?
C3 Sm1 C19 Al3 46.7(13) . . . . ?
C15 Sm1 C19 Al3 -132.8(12) . . . . ?
C29 Sm1 C19 Al3 132.5(12) 1_665 . . . ?
Al1 Sm1 C19 Al3 10.2(14) . . . . ?
C17 Al3 C21 C22 -65.3(14) . . . . ?
C19 Al3 C21 C22 56.3(14) . . . . ?
C23 Al3 C21 C22 167.8(13) . . . . ?
Sm2 Al3 C21 C22 177.0(15) . . . . ?
C17 Al3 C21 Sm2 117.7(5) . . . . ?
C19 Al3 C21 Sm2 -120.6(4) . . . . ?
C23 Al3 C21 Sm2 -9.2(6) . . . . ?
C13 Sm2 C21 C22 15(6) 2_764 . . . ?
C27 Sm2 C21 C22 110(6) . . . . ?
C11 Sm2 C21 C22 -61(6) 2_764 . . . ?
C23 Sm2 C21 C22 -159(6) . . . . ?
C25 Sm2 C21 C22 160(6) . . . . ?
Al2 Sm2 C21 C22 -23(6) 2_764 . . . ?
Al4 Sm2 C21 C22 120(6) . . . . ?
Al3 Sm2 C21 C22 -165(7) . . . . ?
C13 Sm2 C21 Al3 179.8(4) 2_764 . . . ?
C27 Sm2 C21 Al3 -85.1(5) . . . . ?
C11 Sm2 C21 Al3 104.1(4) 2_764 . . . ?
C23 Sm2 C21 Al3 6.4(4) . . . . ?
C25 Sm2 C21 Al3 -34.7(15) . . . . ?
Al2 Sm2 C21 Al3 141.8(4) 2_764 . . . ?
Al4 Sm2 C21 Al3 -75.5(5) . . . . ?
C17 Al3 C23 C24 56.5(12) . . . . ?
C19 Al3 C23 C24 -60.2(12) . . . . ?
C21 Al3 C23 C24 -172.9(11) . . . . ?
Sm2 Al3 C23 C24 177.9(12) . . . . ?
C17 Al3 C23 Sm2 -121.4(5) . . . . ?
C19 Al3 C23 Sm2 121.8(4) . . . . ?
C21 Al3 C23 Sm2 9.2(6) . . . . ?
C13 Sm2 C23 C24 148(4) 2_764 . . . ?
C27 Sm2 C23 C24 -85(4) . . . . ?
C11 Sm2 C23 C24 89(4) 2_764 . . . ?
C25 Sm2 C23 C24 -9(4) . . . . ?
C21 Sm2 C23 C24 -179(4) . . . . ?
Al2 Sm2 C23 C24 92(4) 2_764 . . . ?
Al4 Sm2 C23 C24 -47(4) . . . . ?
Al3 Sm2 C23 C24 -172(5) . . . . ?
C13 Sm2 C23 Al3 -40.0(16) 2_764 . . . ?
C27 Sm2 C23 Al3 87.9(4) . . . . ?
C11 Sm2 C23 Al3 -98.3(4) 2_764 . . . ?
C25 Sm2 C23 Al3 163.4(4) . . . . ?
C21 Sm2 C23 Al3 -6.3(4) . . . . ?
Al2 Sm2 C23 Al3 -95.8(4) 2_764 . . . ?
Al4 Sm2 C23 Al3 125.7(4) . . . . ?
C29 Al4 C25 C26 -62.4(10) . . . . ?
C31 Al4 C25 C26 57.8(10) . . . . ?
C27 Al4 C25 C26 -179.0(9) . . . . ?
Sm2 Al4 C25 C26 180.0(11) . . . . ?
C29 Al4 C25 Sm2 117.6(3) . . . . ?
C31 Al4 C25 Sm2 -122.2(4) . . . . ?
C27 Al4 C25 Sm2 1.0(6) . . . . ?
C13 Sm2 C25 C26 -88(4) 2_764 . . . ?
C11 Sm2 C25 C26 -12(4) 2_764 . . . ?
C23 Sm2 C25 C26 87(4) . . . . ?
C21 Sm2 C25 C26 127(4) . . . . ?
Al2 Sm2 C25 C26 -50(4) 2_764 . . . ?
Al3 Sm2 C25 C26 100(4) . . . . ?
C13 Sm2 C25 Al4 92.1(3) 2_764 . . . ?
C27 Sm2 C25 Al4 -0.7(4) . . . . ?
C11 Sm2 C25 Al4 168.3(3) 2_764 . . . ?
C23 Sm2 C25 Al4 -92.6(4) . . . . ?
C21 Sm2 C25 Al4 -53.2(13) . . . . ?
Al2 Sm2 C25 Al4 130.3(3) 2_764 . . . ?
Al3 Sm2 C25 Al4 -79.7(4) . . . . ?
C29 Al4 C27 C28 63.2(10) . . . . ?
C31 Al4 C27 C28 -56.1(11) . . . . ?
C25 Al4 C27 C28 179.8(9) . . . . ?
Sm2 Al4 C27 C28 -179.1(11) . . . . ?
C29 Al4 C27 Sm2 -117.7(4) . . . . ?
C31 Al4 C27 Sm2 123.1(5) . . . . ?
C25 Al4 C27 Sm2 -1.0(6) . . . . ?
C13 Sm2 C27 C28 80(4) 2_764 . . . ?
C11 Sm2 C27 C28 119(4) 2_764 . . . ?
C23 Sm2 C27 C28 -90(4) . . . . ?
C25 Sm2 C27 C28 177(5) . . . . ?
C21 Sm2 C27 C28 -15(4) . . . . ?
Al2 Sm2 C27 C28 93(4) 2_764 . . . ?
Al4 Sm2 C27 C28 176(5) . . . . ?
Al3 Sm2 C27 C28 -53(4) . . . . ?
C13 Sm2 C27 Al4 -95.9(4) 2_764 . . . ?
C11 Sm2 C27 Al4 -57.5(14) 2_764 . . . ?
C23 Sm2 C27 Al4 93.4(4) . . . . ?
C25 Sm2 C27 Al4 0.7(4) . . . . ?
C21 Sm2 C27 Al4 168.3(4) . . . . ?
Al2 Sm2 C27 Al4 -83.2(4) 2_764 . . . ?
Al3 Sm2 C27 Al4 130.9(4) . . . . ?
C31 Al4 C29 C30 -166.8(10) . . . . ?
C25 Al4 C29 C30 -46.6(10) . . . . ?
C27 Al4 C29 C30 75.0(10) . . . . ?
Sm2 Al4 C29 C30 14.6(11) . . . . ?
C31 Al4 C29 Sm1 32.9(16) . . . 1_445 ?
C25 Al4 C29 Sm1 153.1(14) . . . 1_445 ?
C27 Al4 C29 Sm1 -85.2(15) . . . 1_445 ?
Sm2 Al4 C29 Sm1 -145.7(13) . . . 1_445 ?
C29 Al4 C31 C32 -178.4(11) . . . . ?
C25 Al4 C31 C32 64.1(13) . . . . ?
C27 Al4 C31 C32 -62.0(13) . . . . ?
Sm2 Al4 C31 C32 0.1(14) . . . . ?
