#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/02/4080253.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_4080253
loop_
_publ_author_name
'Zeckert, Kornelia'
_publ_section_title
;
 Pyridyl Compounds of Heavier Group 13 and 14 Elements as Ligands for
 Lanthanide Metals
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1387
_journal_paper_doi               10.1021/om301032x
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         '(C66 H66 La2 N6 Sn2 Yb), 3.5(C7 H8)'
_chemical_formula_sum            'C90.5 H94 La2 N6 Sn2 Yb'
_chemical_formula_weight         1953.96
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2012-10-25T13:34:09-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 116.846(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.1975(16)
_cell_length_b                   17.0581(9)
_cell_length_c                   24.398(2)
_cell_measurement_reflns_used    13424
_cell_measurement_temperature    190(2)
_cell_measurement_theta_max      32.4763
_cell_measurement_theta_min      2.8599
_cell_volume                     8613.9(13)
_computing_cell_refinement
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution
;
     SHELXS-97
     Program for Crystal Structure Analysis (Release 97-2)
     G. M. Sheldrick, Institut für Anorganische Chemie der Universität,
     Tammanstrasse 4, D-3400 Göttingen, Germany, 1998.
;
_diffrn_ambient_temperature      190(2)
_diffrn_detector_area_resol_mean 16.356
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0117708
_diffrn_orient_matrix_UB_12      0.03337
_diffrn_orient_matrix_UB_13      0.0091178
_diffrn_orient_matrix_UB_21      0.0285192
_diffrn_orient_matrix_UB_22      0.020863
_diffrn_orient_matrix_UB_23      0.0052319
_diffrn_orient_matrix_UB_31      -0.014944
_diffrn_orient_matrix_UB_32      0.0134126
_diffrn_orient_matrix_UB_33      -0.0308976
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_av_unetI/netI     0.0469
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            61821
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.86
_exptl_absorpt_coefficient_mu    2.662
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3852
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.279
_refine_diff_density_min         -1.543
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     777
_refine_ls_number_reflns         15764
_refine_ls_number_restraints     205
_refine_ls_restrained_S_all      1.03
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0422
_refine_ls_shift/su_max          0.021
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0380P)²+27.7059P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.1072
_reflns_number_gt                11978
_reflns_number_total             15764
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om301032x_si_001.cif
_cod_data_source_block           x1033
_cod_original_cell_volume        8614.0(10)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C90.50 H94 La2 N6 Sn2 Yb'
_cod_database_code               4080253
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.33373(18) 0.1985(2) 0.17907(16) 0.0321(10) Uani 1 1 d . A .
C2 C 0.2741(2) 0.2216(3) 0.1334(2) 0.0458(13) Uani 1 1 d . . .
H2 H 0.2359 0.2075 0.1361 0.055 Uiso 1 1 calc R . .
C3 C 0.2698(2) 0.2647(3) 0.0841(2) 0.0635(17) Uani 1 1 d . A .
H3 H 0.2288 0.2808 0.0532 0.076 Uiso 1 1 calc R . .
C4 C 0.3245(2) 0.2844(3) 0.0797(2) 0.0661(17) Uani 1 1 d D . .
C5 C 0.3819(2) 0.2612(3) 0.1265(2) 0.0564(15) Uani 1 1 d . A .
H5 H 0.4204 0.275 0.1242 0.068 Uiso 1 1 calc R . .
C6 C 0.3219(5) 0.3483(6) 0.0337(4) 0.085(3) Uani 0.571(12) 1 d PD A 1
H6A H 0.2826 0.3415 -0.0051 0.127 Uiso 0.571(12) 1 calc PR A 1
H6B H 0.3599 0.3435 0.0262 0.127 Uiso 0.571(12) 1 calc PR A 1
H6C H 0.3216 0.4002 0.0507 0.127 Uiso 0.571(12) 1 calc PR A 1
C6F C 0.3225(7) 0.3093(10) 0.0177(5) 0.085(3) Uani 0.429(12) 1 d PD A 2
H6F1 H 0.331 0.2636 -0.0018 0.127 Uiso 0.429(12) 1 calc PR A 2
H6F2 H 0.3554 0.3495 0.0252 0.127 Uiso 0.429(12) 1 calc PR A 2
H6F3 H 0.2797 0.3306 -0.0093 0.127 Uiso 0.429(12) 1 calc PR A 2
C7 C 0.40911(19) 0.2021(2) 0.33078(17) 0.0350(11) Uani 1 1 d . A .
C8 C 0.3931(2) 0.2326(3) 0.37514(19) 0.0469(13) Uani 1 1 d . . .
H8 H 0.3521 0.2213 0.3731 0.056 Uiso 1 1 calc R . .
C9 C 0.4361(2) 0.2788(3) 0.4218(2) 0.0620(15) Uani 1 1 d . . .
H9 H 0.4246 0.2994 0.4517 0.074 Uiso 1 1 calc R . .
C10 C 0.4955(3) 0.2953(3) 0.4254(2) 0.0613(16) Uani 1 1 d . . .
C11 C 0.5088(2) 0.2636(3) 0.3808(2) 0.0546(14) Uani 1 1 d . A .
H11 H 0.5499 0.274 0.3828 0.066 Uiso 1 1 calc R . .
C12 C 0.5455(3) 0.3449(4) 0.4760(3) 0.103(3) Uani 1 1 d . . .
H12A H 0.5616 0.3166 0.5151 0.154 Uiso 1 1 calc R . .
H12B H 0.5257 0.3944 0.4792 0.154 Uiso 1 1 calc R . .
H12C H 0.5814 0.3559 0.4665 0.154 Uiso 1 1 calc R . .
C13 C 0.40174(17) 0.0345(2) 0.25586(17) 0.0329(10) Uani 1 1 d . A .
C14 C 0.38322(19) -0.0426(2) 0.26002(18) 0.0389(11) Uani 1 1 d . . .
H14 H 0.3445 -0.0513 0.2634 0.047 Uiso 1 1 calc R . .
C15 C 0.4195(2) -0.1061(3) 0.2593(2) 0.0487(13) Uani 1 1 d . . .
H15 H 0.4054 -0.1579 0.2613 0.058 Uiso 1 1 calc R . .
C16 C 0.4767(2) -0.0939(3) 0.2556(2) 0.0480(13) Uani 1 1 d . . .
C17 C 0.49318(18) -0.0169(3) 0.2516(2) 0.0463(13) Uani 1 1 d . A .
H17 H 0.5318 -0.0074 0.2483 0.056 Uiso 1 1 calc R . .
C18 C 0.5190(2) -0.1616(3) 0.2536(3) 0.079(2) Uani 1 1 d . . .
H18A H 0.4927 -0.1981 0.2207 0.118 Uiso 1 1 calc R . .
H18B H 0.5376 -0.1891 0.293 0.118 Uiso 1 1 calc R . .
H18C H 0.5539 -0.1408 0.2456 0.118 Uiso 1 1 calc R . .
C19 C 0.58757(18) 0.1692(3) 0.17251(18) 0.0387(11) Uani 1 1 d . A .
C20 C 0.5972(2) 0.1594(3) 0.1207(2) 0.0579(15) Uani 1 1 d . . .
H20 H 0.6371 0.1751 0.122 0.069 Uiso 1 1 calc R . .
C21 C 0.5500(2) 0.1273(3) 0.0674(2) 0.0624(15) Uani 1 1 d . . .
H21 H 0.5578 0.1208 0.0326 0.075 Uiso 1 1 calc R . .
C22 C 0.4916(2) 0.1046(3) 0.0644(2) 0.0482(13) Uani 1 1 d . . .
C23 C 0.4856(2) 0.1144(3) 0.11769(19) 0.0459(13) Uani 1 1 d . A .
H23 H 0.4464 0.0978 0.1175 0.055 Uiso 1 1 calc R . .
C24 C 0.4381(2) 0.0704(4) 0.0077(2) 0.0687(18) Uani 1 1 d . . .
H24A H 0.4507 0.07 -0.0256 0.103 Uiso 1 1 calc R . .
H24B H 0.399 0.1022 -0.0045 0.103 Uiso 1 1 calc R . .
H24C H 0.4294 0.0167 0.0162 0.103 Uiso 1 1 calc R . .
C25 C 0.60638(17) 0.3218(2) 0.26316(17) 0.0345(10) Uani 1 1 d . A .
C26 C 0.63434(19) 0.3948(3) 0.2778(2) 0.0453(12) Uani 1 1 d . . .
H26 H 0.6779 0.4007 0.2848 0.054 Uiso 1 1 calc R . .
C27 C 0.60147(19) 0.4603(3) 0.2828(2) 0.0482(13) Uani 1 1 d . . .
H27 H 0.622 0.5101 0.293 0.058 Uiso 1 1 calc R . .
C28 C 0.53776(19) 0.4511(3) 0.2723(2) 0.0460(12) Uani 1 1 d . . .
C29 C 0.51194(18) 0.3775(3) 0.25859(19) 0.0422(11) Uani 1 1 d . A .
H29 H 0.4683 0.3709 0.251 0.051 Uiso 1 1 calc R . .
C30 C 0.4985(2) 0.5200(3) 0.2759(3) 0.0805(17) Uani 1 1 d . . .
H30A H 0.5119 0.5677 0.2622 0.121 Uiso 1 1 calc R . .
H30B H 0.5057 0.5268 0.3184 0.121 Uiso 1 1 calc R . .
H30C H 0.4525 0.5102 0.2493 0.121 Uiso 1 1 calc R . .
C31 C 0.66073(19) 0.1461(2) 0.32540(18) 0.0390(12) Uani 1 1 d . A .
C32 C 0.7152(2) 0.1053(3) 0.3636(2) 0.0519(14) Uani 1 1 d . . .
H32 H 0.7531 0.1101 0.3583 0.062 Uiso 1 1 calc R . .
C33 C 0.7160(3) 0.0577(3) 0.4095(2) 0.0613(17) Uani 1 1 d . . .
H33 H 0.7538 0.0288 0.4347 0.074 Uiso 1 1 calc R . .
C34 C 0.6619(3) 0.0525(3) 0.4186(2) 0.0621(17) Uani 1 1 d . . .
C35 C 0.6090(2) 0.0933(3) 0.3785(2) 0.0607(16) Uani 1 1 d . A .
H35 H 0.5707 0.0892 0.3834 0.073 Uiso 1 1 calc R . .
C36 C 0.6604(3) 0.0048(4) 0.4703(3) 0.101(3) Uani 1 1 d . . .
H36A H 0.6828 -0.0451 0.4739 0.152 Uiso 1 1 calc R . .
H36B H 0.6155 -0.0053 0.4615 0.152 Uiso 1 1 calc R . .
H36C H 0.6822 0.034 0.5089 0.152 Uiso 1 1 calc R . .
C37 C 0.2894(3) 0.0256(4) 0.3707(3) 0.0894(10) Uani 1 1 d U . .
H37 H 0.3312 0.0476 0.3841 0.107 Uiso 1 1 calc R . .
C38 C 0.2380(3) 0.0578(4) 0.3785(3) 0.0894(10) Uani 1 1 d U . .
H38 H 0.2386 0.106 0.3983 0.107 Uiso 1 1 calc R . .
C39 C 0.1879(3) 0.0084(4) 0.3531(3) 0.0894(10) Uani 1 1 d U . .
H39 H 0.1469 0.0161 0.3521 0.107 Uiso 1 1 calc R . .
C40 C 0.2044(3) -0.0546(4) 0.3287(3) 0.0894(10) Uani 1 1 d U . .
H40 H 0.1772 -0.0976 0.3079 0.107 Uiso 1 1 calc R . .
C41 C 0.2672(3) -0.0449(4) 0.3395(3) 0.0894(10) Uani 1 1 d U . .
H41 H 0.2915 -0.08 0.3278 0.107 Uiso 1 1 calc R . .
C42 C 0.1916(2) -0.0617(3) 0.1785(2) 0.0642(16) Uani 1 1 d . . .
H42 H 0.2182 -0.1044 0.2008 0.077 Uiso 1 1 calc R . .
C43 C 0.2089(2) -0.0018(3) 0.1508(2) 0.0595(15) Uani 1 1 d . . .
H43 H 0.2495 0.0039 0.1505 0.071 Uiso 1 1 calc R . .
C44 C 0.1568(3) 0.0482(3) 0.1236(2) 0.0640(17) Uani 1 1 d . . .
H44 H 0.1556 0.0944 0.1014 0.077 Uiso 1 1 calc R . .
C45 C 0.1068(2) 0.0204(3) 0.1339(2) 0.0690(18) Uani 1 1 d . . .
H45 H 0.0654 0.0438 0.1203 0.083 Uiso 1 1 calc R . .
C46 C 0.1281(3) -0.0483(3) 0.1681(3) 0.0771(17) Uani 1 1 d . . .
H46 H 0.1037 -0.0804 0.1819 0.092 Uiso 1 1 calc R . .
C47 C 0.1323(2) 0.2146(3) 0.1920(2) 0.0522(14) Uani 1 1 d . . .
H47 H 0.1189 0.2166 0.149 0.063 Uiso 1 1 calc R . .
C48 C 0.1904(2) 0.2417(3) 0.2378(2) 0.0518(13) Uani 1 1 d . . .
H48 H 0.2243 0.2652 0.2319 0.062 Uiso 1 1 calc R . .
C49 C 0.1903(2) 0.2285(3) 0.2935(2) 0.0595(16) Uani 1 1 d . . .
H49 H 0.2241 0.2416 0.3327 0.071 Uiso 1 1 calc R . .
C50 C 0.1320(2) 0.1926(3) 0.2822(2) 0.0573(13) Uani 1 1 d . . .
H50 H 0.1189 0.177 0.3122 0.069 Uiso 1 1 calc R . .
C51 C 0.0973(2) 0.1839(2) 0.2206(2) 0.0497(14) Uani 1 1 d . . .
H51 H 0.0557 0.1606 0.2002 0.06 Uiso 1 1 calc R . .
C52 C 0.7329(3) 0.3170(4) 0.1278(2) 0.080(2) Uani 1 1 d . . .
H52 H 0.7174 0.2733 0.1008 0.096 Uiso 1 1 calc R . .
C53 C 0.7912(3) 0.3518(4) 0.1471(2) 0.0779(17) Uani 1 1 d . . .
H53 H 0.8232 0.3371 0.1347 0.093 Uiso 1 1 calc R . .
C54 C 0.7974(3) 0.4113(3) 0.1870(3) 0.079(2) Uani 1 1 d . . .
H54 H 0.8342 0.4437 0.2081 0.095 Uiso 1 1 calc R . .
C55 C 0.7396(3) 0.4151(3) 0.1909(2) 0.0752(18) Uani 1 1 d . . .
H55 H 0.729 0.4514 0.2144 0.09 Uiso 1 1 calc R . .
C56 C 0.7005(3) 0.3561(4) 0.1541(3) 0.0725(19) Uani 1 1 d . . .
H56 H 0.658 0.3447 0.1481 0.087 Uiso 1 1 calc R . .
C57 C 0.8287(2) 0.3926(3) 0.3478(2) 0.0604(16) Uani 1 1 d . . .
H57 H 0.803 0.4386 0.3348 0.072 Uiso 1 1 calc R . .
C58 C 0.8140(2) 0.3258(4) 0.3713(2) 0.0623(16) Uani 1 1 d . . .
H58 H 0.7765 0.3179 0.377 0.075 Uiso 1 1 calc R . .
C59 C 0.8646(3) 0.2718(4) 0.3854(2) 0.0661(17) Uani 1 1 d . . .
H59 H 0.8675 0.2211 0.4027 0.079 Uiso 1 1 calc R . .
C60 C 0.9099(2) 0.3059(4) 0.3696(2) 0.0660(17) Uani 1 1 d . . .
H60 H 0.9488 0.2823 0.3739 0.079 Uiso 1 1 calc R . .
C61 C 0.8881(3) 0.3805(4) 0.3465(2) 0.0670(16) Uani 1 1 d . . .
H61 H 0.9094 0.4169 0.3323 0.08 Uiso 1 1 calc R . .
C62 C 0.8852(4) 0.1406(5) 0.2839(4) 0.0402(12) Uani 0.443(5) 1 d PDU A 3
H62 H 0.9207 0.143 0.3238 0.048 Uiso 0.443(5) 1 calc PR A 3
C63 C 0.8277(4) 0.1082(5) 0.2703(4) 0.0402(12) Uani 0.443(5) 1 d PDU A 3
H63 H 0.8165 0.0832 0.299 0.048 Uiso 0.443(5) 1 calc PR A 3
C64 C 0.7870(4) 0.1164(6) 0.2084(4) 0.0402(12) Uani 0.443(5) 1 d PDU A 3
H64 H 0.7431 0.1003 0.1873 0.048 Uiso 0.443(5) 1 calc PR A 3
C65 C 0.8236(4) 0.1535(5) 0.1829(4) 0.0402(12) Uani 0.443(5) 1 d PDU A 3
H65 H 0.8093 0.1653 0.1407 0.048 Uiso 0.443(5) 1 calc PR A 3
C66 C 0.8852(4) 0.1701(5) 0.2311(4) 0.0402(12) Uani 0.443(5) 1 d PDU A 3
H66 H 0.9197 0.1963 0.228 0.048 Uiso 0.443(5) 1 calc PR A 3
C62F C 0.8959(3) 0.1622(5) 0.2657(3) 0.0407(10) Uani 0.557(5) 1 d PDU A 4
H62F H 0.9394 0.1788 0.2887 0.049 Uiso 0.557(5) 1 calc PR A 4
C63F C 0.8579(3) 0.1241(5) 0.2897(3) 0.0407(10) Uani 0.557(5) 1 d PDU A 4
H63F H 0.8716 0.1119 0.3317 0.049 Uiso 0.557(5) 1 calc PR A 4
C64F C 0.7966(3) 0.1072(5) 0.2411(4) 0.0407(10) Uani 0.557(5) 1 d PDU A 4
H64F H 0.7621 0.0804 0.2439 0.049 Uiso 0.557(5) 1 calc PR A 4
C65F C 0.7968(3) 0.1389(5) 0.1856(3) 0.0407(10) Uani 0.557(5) 1 d PDU A 4
H65F H 0.7617 0.1381 0.1455 0.049 Uiso 0.557(5) 1 calc PR A 4
C66F C 0.8584(3) 0.1712(5) 0.2022(3) 0.0407(10) Uani 0.557(5) 1 d PDU A 4
H66F H 0.8722 0.1949 0.1749 0.049 Uiso 0.557(5) 1 calc PR A 4
C70 C 0.3889(5) 0.5148(7) 0.9770(5) 0.146(3) Uiso 0.470(7) 1 d PGD B 5
H70 H 0.3592 0.5234 0.9352 0.176 Uiso 0.470(7) 1 calc PR B 5
C71 C 0.3928(6) 0.5680(7) 1.0217(5) 0.146(3) Uiso 0.470(7) 1 d PGD B 5
H71 H 0.3658 0.613 1.0104 0.176 Uiso 0.470(7) 1 calc PR B 5
C72 C 0.4361(7) 0.5553(8) 1.0829(5) 0.146(3) Uiso 0.470(7) 1 d PGD B 5
H72 H 0.4388 0.5916 1.1135 0.176 Uiso 0.470(7) 1 calc PR B 5
C73 C 0.4756(6) 0.4894(9) 1.0995(5) 0.146(3) Uiso 0.470(7) 1 d PGD B 5
H73 H 0.5053 0.4807 1.1413 0.176 Uiso 0.470(7) 1 calc PR B 5
C74 C 0.4718(6) 0.4362(8) 1.0548(6) 0.146(3) Uiso 0.470(7) 1 d PGD B 5
C75 C 0.4284(6) 0.4489(7) 0.9936(5) 0.146(3) Uiso 0.470(7) 1 d PGD B 5
H75 H 0.4258 0.4125 0.963 0.176 Uiso 0.470(7) 1 calc PR B 5
C76 C 0.5132(9) 0.3573(12) 1.0755(8) 0.146(3) Uiso 0.470(7) 1 d PD B 5
H76A H 0.5581 0.37 1.1039 0.22 Uiso 0.470(7) 1 calc PR B 5
H76B H 0.5117 0.3307 1.0393 0.22 Uiso 0.470(7) 1 calc PR B 5
H76C H 0.4952 0.3228 1.0961 0.22 Uiso 0.470(7) 1 calc PR B 5
C70F C 0.4433(4) 0.4114(6) 0.9821(4) 0.127(3) Uiso 0.530(7) 1 d PGD B 6
H70F H 0.4347 0.3861 0.9445 0.153 Uiso 0.530(7) 1 calc PR B 6
C71F C 0.4869(5) 0.3785(6) 1.0375(4) 0.127(3) Uiso 0.530(7) 1 d PGD B 6
H71F H 0.5082 0.3308 1.0378 0.153 Uiso 0.530(7) 1 calc PR B 6
C72F C 0.4995(5) 0.4155(7) 1.0926(4) 0.127(3) Uiso 0.530(7) 1 d PGD B 6
H72F H 0.5293 0.393 1.1305 0.153 Uiso 0.530(7) 1 calc PR B 6
C73F C 0.4684(6) 0.4853(7) 1.0922(4) 0.127(3) Uiso 0.530(7) 1 d PGD B 6
H73F H 0.477 0.5106 1.1298 0.153 Uiso 0.530(7) 1 calc PR B 6
C74F C 0.4247(6) 0.5181(6) 1.0367(5) 0.127(3) Uiso 0.530(7) 1 d PGD B 6
C75F C 0.4122(4) 0.4812(6) 0.9817(4) 0.127(3) Uiso 0.530(7) 1 d PGD B 6
H75F H 0.3823 0.5036 0.9438 0.153 Uiso 0.530(7) 1 calc PR B 6
C76F C 0.3911(7) 0.6010(10) 1.0428(7) 0.127(3) Uiso 0.530(7) 1 d PD B 6
H76D H 0.4169 0.6238 1.0835 0.191 Uiso 0.530(7) 1 calc PR B 6
H76E H 0.3473 0.5906 1.0371 0.191 Uiso 0.530(7) 1 calc PR B 6
H76F H 0.3893 0.6379 1.0112 0.191 Uiso 0.530(7) 1 calc PR B 6
C80 C 0.6558(3) 0.0895(3) 0.9525(2) 0.1202(12) Uani 1 1 d D . .
C81 C 0.6905(3) 0.0849(4) 1.0158(2) 0.1202(12) Uani 1 1 d D . .
H81 H 0.6891 0.1258 1.0416 0.144 Uiso 1 1 calc R . .
C82 C 0.7271(3) 0.0184(3) 1.0397(3) 0.1202(12) Uani 1 1 d D . .
H82 H 0.7507 0.0141 1.0831 0.144 Uiso 1 1 calc R . .
C83 C 0.7314(3) -0.0428(4) 1.0040(2) 0.1202(12) Uani 1 1 d D . .
H83 H 0.758 -0.0874 1.0214 0.144 Uiso 1 1 calc R . .
C84 C 0.6941(3) -0.0340(4) 0.9410(2) 0.1202(12) Uani 1 1 d D . .
H84 H 0.6937 -0.0754 0.9147 0.144 Uiso 1 1 calc R . .
C85 C 0.6575(3) 0.0326(4) 0.9148(3) 0.1202(12) Uani 1 1 d D . .
H85 H 0.6342 0.0379 0.8714 0.144 Uiso 1 1 calc R . .
C86 C 0.6213(3) 0.1660(4) 0.9289(3) 0.1202(12) Uani 1 1 d D . .
H86A H 0.6307 0.1857 0.8961 0.18 Uiso 1 1 calc R . .
H86B H 0.6359 0.2042 0.9625 0.18 Uiso 1 1 calc R . .
H86C H 0.5746 0.1579 0.9127 0.18 Uiso 1 1 calc R . .
C87 C 0.3096(4) 0.2676(4) 0.4919(4) 0.1704(19) Uani 1 1 d D . .
H87 H 0.268 0.2477 0.4652 0.205 Uiso 1 1 calc R . .
C88 C 0.3239(3) 0.3461(4) 0.4901(4) 0.1704(19) Uani 1 1 d D . .
H88 H 0.2939 0.3804 0.46 0.205 Uiso 1 1 calc R . .
C89 C 0.3837(3) 0.3731(3) 0.5337(4) 0.1704(19) Uani 1 1 d D . .
C90 C 0.4312(4) 0.3226(3) 0.5725(4) 0.1704(19) Uani 1 1 d D . .
H90 H 0.4722 0.3427 0.6005 0.205 Uiso 1 1 calc R . .
C91 C 0.4193(3) 0.2430(4) 0.5707(4) 0.1704(19) Uani 1 1 d D . .
H91 H 0.4525 0.2069 0.594 0.205 Uiso 1 1 calc R . .
C92 C 0.3571(4) 0.2183(5) 0.5336(4) 0.1704(19) Uani 1 1 d D . .
H92 H 0.3461 0.1653 0.5365 0.205 Uiso 1 1 calc R . .
C93 C 0.3960(5) 0.4587(4) 0.5360(5) 0.212(6) Uiso 1 1 d D . .
H93A H 0.4426 0.4681 0.5542 0.318 Uiso 1 1 calc R . .
H93B H 0.3782 0.4843 0.561 0.318 Uiso 1 1 calc R . .
H93C H 0.3752 0.4801 0.4942 0.318 Uiso 1 1 calc R . .
C94 C 0.4977(3) 0.0682(4) 0.4698(3) 0.110(3) Uiso 1 1 d D . .
H94 H 0.4955 0.116 0.449 0.132 Uiso 1 1 calc R . .
C95 C 0.4737(3) 0.0013(3) 0.4366(3) 0.118(3) Uiso 1 1 d D C .
H95 H 0.4563 0.0021 0.3931 0.141 Uiso 1 1 calc R . .
C97 C 0.4444(8) -0.1403(5) 0.4322(7) 0.178(9) Uiso 0.5 1 d PD C 1
H97A H 0.464 -0.1861 0.4582 0.267 Uiso 0.5 1 calc PR C 1
H97B H 0.4512 -0.1432 0.3954 0.267 Uiso 0.5 1 calc PR C 1
H97C H 0.398 -0.1394 0.42 0.267 Uiso 0.5 1 calc PR C 1
C96 C 0.4749(4) -0.0676(4) 0.4669(3) 0.121(3) Uiso 1 1 d D . .
H96 H 0.457 -0.1143 0.4443 0.145 Uiso 0.5 1 calc PRD C 2
N1 N 0.38764(16) 0.2201(2) 0.17560(15) 0.0411(10) Uani 1 1 d . . .
N2 N 0.46737(16) 0.2182(2) 0.33403(15) 0.0418(10) Uani 1 1 d . . .
N3 N 0.45751(14) 0.0458(2) 0.25221(15) 0.0373(9) Uani 1 1 d . . .
N4 N 0.53142(15) 0.1458(2) 0.17005(15) 0.0420(10) Uani 1 1 d . . .
N5 N 0.54474(15) 0.3132(2) 0.25508(15) 0.0395(9) Uani 1 1 d . . .
N6 N 0.60664(16) 0.1390(2) 0.33266(16) 0.0457(11) Uani 1 1 d . . .
Sn1 Sn 0.337386(12) 0.128961(17) 0.257218(11) 0.03103(7) Uani 1 1 d . . .
Sn2 Sn 0.664495(12) 0.224236(17) 0.254649(13) 0.03533(7) Uani 1 1 d . . .
La1 La 0.197183(10) 0.072619(14) 0.251191(10) 0.03303(6) Uani 1 1 d . A .
La2 La 0.803186(10) 0.276328(14) 0.254395(11) 0.03364(6) Uani 1 1 d . A .
Yb1 Yb 0.499051(8) 0.180255(10) 0.252081(8) 0.03194(5) Uani 1 1 d . A .
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.385 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
N1 C1 C2 119.4(4) . .
N1 C1 Sn1 121.8(2) . .
C2 C1 Sn1 118.8(3) . .
C3 C2 C1 120.5(4) . .
C3 C2 H2 119.7 . .
C1 C2 H2 119.7 . .
C4 C3 C2 119.9(4) . .
C4 C3 H3 120 . .
C2 C3 H3 120 . .
C3 C4 C5 117.0(5) . .
C3 C4 C6 120.0(6) . .
C5 C4 C6 121.0(6) . .
C3 C4 C6F 121.7(7) . .
C5 C4 C6F 118.9(7) . .
C6 C4 C6F 28.9(8) . .
N1 C5 C4 124.4(5) . .
N1 C5 H5 117.8 . .
C4 C5 H5 117.8 . .
C4 C6 H6A 109.5 . .
C4 C6 H6B 109.5 . .
C4 C6 H6C 109.5 . .
C4 C6F H6F1 109.5 . .
C4 C6F H6F2 109.5 . .
H6F1 C6F H6F2 109.5 . .
C4 C6F H6F3 109.5 . .
H6F1 C6F H6F3 109.5 . .
H6F2 C6F H6F3 109.5 . .
N2 C7 C8 119.3(4) . .
N2 C7 Sn1 122.2(3) . .
C8 C7 Sn1 118.5(3) . .
C9 C8 C7 120.7(5) . .
C9 C8 H8 119.6 . .
C7 C8 H8 119.6 . .
C10 C9 C8 120.2(5) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
C9 C10 C11 116.7(4) . .
C9 C10 C12 123.0(5) . .
C11 C10 C12 120.3(6) . .
N2 C11 C10 124.5(5) . .
N2 C11 H11 117.7 . .
C10 C11 H11 117.7 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N3 C13 C14 118.2(4) . .
N3 C13 Sn1 124.8(3) . .
C14 C13 Sn1 116.9(3) . .
C15 C14 C13 121.9(4) . .
C15 C14 H14 119 . .
C13 C14 H14 119 . .
C14 C15 C16 119.4(4) . .
C14 C15 H15 120.3 . .
C16 C15 H15 120.3 . .
C17 C16 C15 116.7(4) . .
C17 C16 C18 120.8(4) . .
C15 C16 C18 122.4(4) . .
N3 C17 C16 124.0(4) . .
N3 C17 H17 118 . .
C16 C17 H17 118 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N4 C19 C20 118.5(4) . .
N4 C19 Sn2 122.7(3) . .
C20 C19 Sn2 118.8(3) . .
C21 C20 C19 121.4(5) . .
C21 C20 H20 119.3 . .
C19 C20 H20 119.3 . .
C22 C21 C20 120.2(5) . .
C22 C21 H21 119.9 . .
C20 C21 H21 119.9 . .
C21 C22 C23 115.6(4) . .
C21 C22 C24 123.0(5) . .
C23 C22 C24 121.5(5) . .
N4 C23 C22 124.6(4) . .
N4 C23 H23 117.7 . .
C22 C23 H23 117.7 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
N5 C25 C26 118.5(4) . .
N5 C25 Sn2 123.5(3) . .
C26 C25 Sn2 118.1(3) . .
C25 C26 C27 122.6(4) . .
C25 C26 H26 118.7 . .
C27 C26 H26 118.7 . .
C26 C27 C28 118.3(4) . .
C26 C27 H27 120.8 . .
C28 C27 H27 120.8 . .
C29 C28 C27 117.4(4) . .
C29 C28 C30 121.3(4) . .
C27 C28 C30 121.3(4) . .
N5 C29 C28 124.1(4) . .
N5 C29 H29 117.9 . .
C28 C29 H29 117.9 . .
C28 C30 H30A 109.5 . .
C28 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C28 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
N6 C31 C32 119.4(4) . .
N6 C31 Sn2 121.5(3) . .
C32 C31 Sn2 119.1(4) . .
C31 C32 C33 121.5(5) . .
C31 C32 H32 119.3 . .
C33 C32 H32 119.3 . .
C34 C33 C32 119.5(4) . .
C34 C33 H33 120.3 . .
C32 C33 H33 120.3 . .
C35 C34 C33 116.2(5) . .
C35 C34 C36 121.4(6) . .
C33 C34 C36 122.4(5) . .
N6 C35 C34 125.3(5) . .
N6 C35 H35 117.4 . .
C34 C35 H35 117.4 . .
C34 C36 H36A 109.5 . .
C34 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C34 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C41 C37 C38 106.6(6) . .
C41 C37 La1 76.2(3) . .
C38 C37 La1 74.7(3) . .
C41 C37 H37 126.7 . .
C38 C37 H37 126.7 . .
La1 C37 H37 114.8 . .
C39 C38 C37 107.7(7) . .
C39 C38 La1 75.9(4) . .
C37 C38 La1 76.6(3) . .
C39 C38 H38 126.1 . .
C37 C38 H38 126.1 . .
La1 C38 H38 113.7 . .
C38 C39 C40 109.9(7) . .
C38 C39 La1 76.5(4) . .
C40 C39 La1 76.8(4) . .
C38 C39 H39 125 . .
C40 C39 H39 125 . .
La1 C39 H39 113.6 . .
C39 C40 C41 107.7(7) . .
C39 C40 La1 75.2(4) . .
C41 C40 La1 76.9(4) . .
C39 C40 H40 126.1 . .
C41 C40 H40 126.1 . .
La1 C40 H40 114.2 . .
C40 C41 C37 108.0(7) . .
C40 C41 La1 75.3(4) . .
C37 C41 La1 75.5(3) . .
C40 C41 H41 126 . .
C37 C41 H41 126 . .
La1 C41 H41 115.4 . .
C43 C42 C46 107.8(5) . .
C43 C42 La1 76.7(3) . .
C46 C42 La1 74.4(3) . .
C43 C42 H42 126.1 . .
C46 C42 H42 126.1 . .
La1 C42 H42 115.1 . .
C44 C43 C42 107.9(5) . .
C44 C43 La1 74.8(3) . .
C42 C43 La1 75.5(3) . .
C44 C43 H43 126.1 . .
C42 C43 H43 126.1 . .
La1 C43 H43 115.9 . .
C45 C44 C43 109.1(5) . .
C45 C44 La1 74.9(3) . .
C43 C44 La1 77.3(3) . .
C45 C44 H44 125.5 . .
C43 C44 H44 125.5 . .
La1 C44 H44 114.4 . .
C44 C45 C46 107.4(5) . .
C44 C45 La1 77.0(3) . .
C46 C45 La1 76.0(3) . .
C44 C45 H45 126.3 . .
C46 C45 H45 126.3 . .
La1 C45 H45 113.2 . .
C45 C46 C42 107.9(5) . .
C45 C46 La1 75.4(3) . .
C42 C46 La1 77.2(3) . .
C45 C46 H46 126.1 . .
C42 C46 H46 126.1 . .
La1 C46 H46 113.7 . .
C48 C47 C51 107.3(4) . .
C48 C47 La1 77.2(3) . .
C51 C47 La1 73.9(2) . .
C48 C47 H47 126.4 . .
C51 C47 H47 126.4 . .
La1 C47 H47 114.9 . .
C49 C48 C47 107.9(5) . .
C49 C48 La1 75.6(3) . .
C47 C48 La1 75.0(3) . .
C49 C48 H48 126.1 . .
C47 C48 H48 126.1 . .
La1 C48 H48 115.5 . .
C48 C49 C50 108.0(4) . .
C48 C49 La1 76.9(3) . .
C50 C49 La1 74.3(3) . .
C48 C49 H49 126 . .
C50 C49 H49 126 . .
La1 C49 H49 115.1 . .
C51 C50 C49 107.8(5) . .
C51 C50 La1 75.4(3) . .
C49 C50 La1 77.5(3) . .
C51 C50 H50 126.1 . .
C49 C50 H50 126.1 . .
La1 C50 H50 113.4 . .
C50 C51 C47 109.0(4) . .
C50 C51 La1 77.0(3) . .
C47 C51 La1 77.8(3) . .
C50 C51 H51 125.5 . .
C47 C51 H51 125.5 . .
La1 C51 H51 112.1 . .
C53 C52 C56 107.4(6) . .
C53 C52 La2 74.8(3) . .
C56 C52 La2 77.1(3) . .
C53 C52 H52 126.3 . .
C56 C52 H52 126.3 . .
La2 C52 H52 114.3 . .
C52 C53 C54 109.9(6) . .
C52 C53 La2 77.7(4) . .
C54 C53 La2 75.1(3) . .
C52 C53 H53 125.1 . .
C54 C53 H53 125.1 . .
La2 C53 H53 114.2 . .
C53 C54 C55 106.8(5) . .
C53 C54 La2 76.7(3) . .
C55 C54 La2 77.9(3) . .
C53 C54 H54 126.6 . .
C55 C54 H54 126.6 . .
La2 C54 H54 111.7 . .
C56 C55 C54 107.1(6) . .
C56 C55 La2 77.0(3) . .
C54 C55 La2 73.7(3) . .
C56 C55 H55 126.5 . .
C54 C55 H55 126.5 . .
La2 C55 H55 115.2 . .
C52 C56 C55 108.8(6) . .
C52 C56 La2 75.4(3) . .
C55 C56 La2 75.1(3) . .
C52 C56 H56 125.6 . .
C55 C56 H56 125.6 . .
La2 C56 H56 116 . .
C58 C57 C61 108.4(5) . .
C58 C57 La2 76.1(3) . .
C61 C57 La2 74.6(3) . .
C58 C57 H57 125.8 . .
C61 C57 H57 125.8 . .
La2 C57 H57 115.6 . .
C57 C58 C59 107.8(5) . .
C57 C58 La2 76.0(3) . .
C59 C58 La2 74.9(3) . .
C57 C58 H58 126.1 . .
C59 C58 H58 126.1 . .
La2 C58 H58 115.2 . .
C60 C59 C58 107.9(5) . .
C60 C59 La2 74.7(3) . .
C58 C59 La2 76.7(3) . .
C60 C59 H59 126 . .
C58 C59 H59 126 . .
La2 C59 H59 114.8 . .
C61 C60 C59 108.1(5) . .
C61 C60 La2 76.4(3) . .
C59 C60 La2 76.7(3) . .
C61 C60 H60 126 . .
C59 C60 H60 126 . .
La2 C60 H60 113.3 . .
C60 C61 C57 107.8(5) . .
C60 C61 La2 75.2(3) . .
C57 C61 La2 76.9(3) . .
C60 C61 H61 126.1 . .
C57 C61 H61 126.1 . .
La2 C61 H61 114.1 . .
C63 C62 C66 109.7(6) . .
C63 C62 La2 78.3(5) . .
C66 C62 La2 75.6(5) . .
C63 C62 H62 125.2 . .
C66 C62 H62 125.2 . .
La2 C62 H62 113.1 . .
C62 C63 C64 110.0(8) . .
C62 C63 La2 74.9(5) . .
C64 C63 La2 76.0(5) . .
C62 C63 H63 125 . .
C64 C63 H63 125 . .
La2 C63 H63 116 . .
C63 C64 C65 106.1(7) . .
C63 C64 La2 76.6(5) . .
C65 C64 La2 75.5(5) . .
C63 C64 H64 126.9 . .
C65 C64 H64 126.9 . .
La2 C64 H64 113.6 . .
C64 C65 C66 107.9(7) . .
C64 C65 La2 76.4(5) . .
C66 C65 La2 74.5(5) . .
C64 C65 H65 126 . .
C66 C65 H65 126 . .
La2 C65 H65 115.3 . .
C62 C66 C65 106.2(7) . .
C62 C66 La2 76.5(6) . .
C65 C66 La2 77.2(5) . .
C62 C66 H66 126.9 . .
C65 C66 H66 126.9 . .
La2 C66 H66 112.3 . .
C66F C62F C63F 108.4(5) . .
C66F C62F La2 75.6(4) . .
C63F C62F La2 76.6(4) . .
C66F C62F H62F 125.8 . .
C63F C62F H62F 125.8 . .
La2 C62F H62F 114.3 . .
C64F C63F C62F 109.1(6) . .
C64F C63F La2 77.9(4) . .
C62F C63F La2 74.5(4) . .
C64F C63F H63F 125.5 . .
C62F C63F H63F 125.5 . .
La2 C63F H63F 114.3 . .
C63F C64F C65F 106.1(6) . .
C63F C64F La2 73.7(4) . .
C65F C64F La2 73.3(4) . .
C63F C64F H64F 126.9 . .
C65F C64F H64F 126.9 . .
La2 C64F H64F 118.2 . .
C66F C65F C64F 107.9(5) . .
C66F C65F La2 74.6(4) . .
C64F C65F La2 77.3(4) . .
C66F C65F H65F 126.1 . .
C64F C65F H65F 126.1 . .
La2 C65F H65F 114.4 . .
C62F C66F C65F 108.5(7) . .
C62F C66F La2 75.6(5) . .
C65F C66F La2 76.6(5) . .
C62F C66F H66F 125.8 . .
C65F C66F H66F 125.8 . .
La2 C66F H66F 114.2 . .
C71 C70 C75 120 . .
C71 C70 H70 120 . .
C75 C70 H70 120 . .
C72 C71 C70 120 . .
C72 C71 H71 120 . .
C70 C71 H71 120 . .
C71 C72 C73 120 . .
C71 C72 H72 120 . .
C73 C72 H72 120 . .
C74 C73 C72 120 . .
C74 C73 H73 120 . .
C72 C73 H73 120 . .
C73 C74 C75 120 . .
C73 C74 C76 119.0(9) . .
C75 C74 C76 120.8(9) . .
C74 C75 C70 120 . .
C74 C75 H75 120 . .
C70 C75 H75 120 . .
C71F C70F C75F 120 . .
C71F C70F H70F 120 . .
C75F C70F H70F 120 . .
C72F C71F C70F 120 . .
C72F C71F H71F 120 . .
C70F C71F H71F 120 . .
C71F C72F C73F 120 . .
C71F C72F H72F 120 . .
C73F C72F H72F 120 . .
C74F C73F C72F 120 . .
C74F C73F H73F 120 . .
C72F C73F H73F 120 . .
C73F C74F C75F 120 . .
C73F C74F C76F 115.1(7) . .
C75F C74F C76F 124.9(7) . .
C74F C75F C70F 120 . .
C74F C75F H75F 120 . .
C70F C75F H75F 120 . .
C85 C80 C81 122.5(5) . .
C85 C80 C86 122.6(5) . .
C81 C80 C86 114.7(6) . .
C82 C81 C80 117.2(6) . .
C82 C81 H81 121.4 . .
C80 C81 H81 121.4 . .
C81 C82 C83 123.7(6) . .
C81 C82 H82 118.1 . .
C83 C82 H82 118.1 . .
C84 C83 C82 115.3(6) . .
C84 C83 H83 122.4 . .
C82 C83 H83 122.4 . .
C83 C84 C85 122.9(6) . .
C83 C84 H84 118.6 . .
C85 C84 H84 118.6 . .
C80 C85 C84 118.3(6) . .
C80 C85 H85 120.8 . .
C84 C85 H85 120.8 . .
C80 C86 H86A 109.5 . .
C80 C86 H86B 109.5 . .
H86A C86 H86B 109.5 . .
C80 C86 H86C 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
C88 C87 C92 119.0(7) . .
C88 C87 H87 120.5 . .
C92 C87 H87 120.5 . .
C87 C88 C89 117.8(6) . .
C87 C88 H88 121.1 . .
C89 C88 H88 121.1 . .
C90 C89 C88 121.9(5) . .
C90 C89 C93 120.5(6) . .
C88 C89 C93 117.6(6) . .
C89 C90 C91 120.3(6) . .
C89 C90 H90 119.8 . .
C91 C90 H90 119.8 . .
C92 C91 C90 117.1(7) . .
C92 C91 H91 121.4 . .
C90 C91 H91 121.4 . .
C91 C92 C87 122.8(8) . .
C91 C92 H92 118.6 . .
C87 C92 H92 118.6 . .
C89 C93 H93A 109.5 . .
C89 C93 H93B 109.5 . .
H93A C93 H93B 109.5 . .
C89 C93 H93C 109.5 . .
H93A C93 H93C 109.5 . .
H93B C93 H93C 109.5 . .
C95 C94 C96 121.1(6) . 3_656
C95 C94 H94 119.5 . .
C96 C94 H94 119.5 3_656 .
C94 C95 C96 119.4(6) . .
C94 C95 H95 120.3 . .
C96 C95 H95 120.3 . .
C96 C97 H97A 109.5 . .
C96 C97 H97B 109.5 . .
C96 C97 H97C 109.5 . .
C94 C96 C95 119.5(6) 3_656 .
C94 C96 C97 119.5(8) 3_656 .
C95 C96 C97 120.9(8) . .
C94 C96 H96 120.2 3_656 .
C95 C96 H96 120.2 . .
C97 C96 H96 2.5 . .
C5 N1 C1 118.7(3) . .
C5 N1 Yb1 117.4(3) . .
C1 N1 Yb1 123.8(3) . .
C7 N2 C11 118.5(4) . .
C7 N2 Yb1 123.3(2) . .
C11 N2 Yb1 117.9(3) . .
C13 N3 C17 119.6(4) . .
C13 N3 Yb1 121.0(3) . .
C17 N3 Yb1 119.3(3) . .
C19 N4 C23 119.7(4) . .
C19 N4 Yb1 122.1(3) . .
C23 N4 Yb1 117.2(3) . .
C29 N5 C25 119.1(4) . .
C29 N5 Yb1 119.6(3) . .
C25 N5 Yb1 120.5(3) . .
C35 N6 C31 118.1(4) . .
C35 N6 Yb1 118.2(3) . .
C31 N6 Yb1 122.2(3) . .
C7 Sn1 C13 99.14(14) . .
C7 Sn1 C1 96.86(14) . .
C13 Sn1 C1 98.12(15) . .
C7 Sn1 La1 124.25(12) . .
C13 Sn1 La1 116.25(10) . .
C1 Sn1 La1 117.36(10) . .
C19 Sn2 C25 97.39(15) . .
C19 Sn2 C31 98.72(15) . .
C25 Sn2 C31 98.03(16) . .
C19 Sn2 La2 119.80(12) . .
C25 Sn2 La2 115.40(11) . .
C31 Sn2 La2 122.61(10) . .
C39 La1 C38 27.53(18) . .
C39 La1 C45 117.04(19) . .
C38 La1 C45 144.57(19) . .
C39 La1 C51 96.55(18) . .
C38 La1 C51 100.29(18) . .
C45 La1 C51 78.38(15) . .
C39 La1 C46 95.99(19) . .
C38 La1 C46 121.6(2) . .
C45 La1 C46 28.56(16) . .
C51 La1 C46 99.74(15) . .
C39 La1 C40 27.98(19) . .
C38 La1 C40 46.1(2) . .
C45 La1 C40 103.16(18) . .
C51 La1 C40 119.07(18) . .
C46 La1 C40 76.30(19) . .
C39 La1 C50 77.47(18) . .
C38 La1 C50 74.10(18) . .
C45 La1 C50 104.81(14) . .
C51 La1 C50 27.65(14) . .
C46 La1 C50 121.22(15) . .
C40 La1 C50 104.63(18) . .
C39 La1 C37 46.10(19) . .
C38 La1 C37 28.66(19) . .
C45 La1 C37 145.21(19) . .
C51 La1 C37 127.48(18) . .
C46 La1 C37 116.71(19) . .
C40 La1 C37 46.31(19) . .
C50 La1 C37 100.07(17) . .
C39 La1 C44 142.24(18) . .
C38 La1 C44 166.45(19) . .
C45 La1 C44 28.14(17) . .
C51 La1 C44 89.06(16) . .
C46 La1 C44 46.34(18) . .
C40 La1 C44 120.57(18) . .
C50 La1 C44 116.35(15) . .
C37 La1 C44 143.46(18) . .
C39 La1 C41 45.9(2) . .
C38 La1 C41 46.5(2) . .
C45 La1 C41 116.97(18) . .
C51 La1 C41 142.34(19) . .
C46 La1 C41 88.53(18) . .
C40 La1 C41 27.85(18) . .
C50 La1 C41 119.66(18) . .
C37 La1 C41 28.25(19) . .
C44 La1 C41 121.15(19) . .
C39 La1 C42 103.61(19) . .
C38 La1 C42 120.60(19) . .
C45 La1 C42 46.72(15) . .
C51 La1 C42 124.89(14) . .
C46 La1 C42 28.38(16) . .
C40 La1 C42 76.86(19) . .
C50 La1 C42 149.29(14) . .
C37 La1 C42 102.23(18) . .
C44 La1 C42 46.03(16) . .
C41 La1 C42 75.93(18) . .
C39 La1 C47 122.74(18) . .
C38 La1 C47 117.93(18) . .
C45 La1 C47 77.03(15) . .
C51 La1 C47 28.25(15) . .
C46 La1 C47 104.83(15) . .
C40 La1 C47 147.26(18) . .
C50 La1 C47 46.04(15) . .
C37 La1 C47 137.22(17) . .
C44 La1 C47 74.61(15) . .
C41 La1 C47 164.22(18) . .
C42 La1 C47 119.75(14) . .
C54 La2 C53 28.23(18) . .
C54 La2 C66F 99.7(2) . .
C53 La2 C66F 75.2(2) . .
C54 La2 C62F 117.2(2) . .
C53 La2 C62F 99.0(2) . .
C66F La2 C62F 28.7(2) . .
C54 La2 C60 103.01(17) . .
C53 La2 C60 121.10(18) . .
C66F La2 C60 100.94(18) . .
C62F La2 C60 74.90(19) . .
C54 La2 C61 77.41(17) . .
C53 La2 C61 101.01(17) . .
C66F La2 C61 117.43(19) . .
C62F La2 C61 97.41(18) . .
C60 La2 C61 28.41(16) . .
C54 La2 C65F 110.8(2) . .
C53 La2 C65F 82.6(2) . .
C66F La2 C65F 28.8(2) . .
C62F La2 C65F 47.44(19) . .
C60 La2 C65F 121.43(18) . .
C61 La2 C65F 144.40(18) . .
C54 La2 C63F 145.5(2) . .
C53 La2 C63F 122.7(2) . .
C66F La2 C63F 47.5(2) . .
C62F La2 C63F 28.9(2) . .
C60 La2 C63F 77.98(18) . .
C61 La2 C63F 106.03(18) . .
C65F La2 C63F 47.5(2) . .
C54 La2 C55 28.43(18) . .
C53 La2 C55 45.98(18) . .
C66F La2 C55 120.8(2) . .
C62F La2 C55 144.2(2) . .
C60 La2 C55 113.46(17) . .
C61 La2 C55 85.06(16) . .
C65F La2 C55 119.15(18) . .
C63F La2 C55 166.58(19) . .
C54 La2 C52 46.44(18) . .
C53 La2 C52 27.60(17) . .
C66F La2 C52 79.6(2) . .
C62F La2 C52 108.1(2) . .
C60 La2 C52 148.05(19) . .
C61 La2 C52 123.83(18) . .
C65F La2 C52 73.1(2) . .
C63F La2 C52 120.5(2) . .
C55 La2 C52 46.09(17) . .
C54 La2 C59 123.24(17) . .
C53 La2 C59 147.53(17) . .
C66F La2 C59 112.94(19) . .
C62F La2 C59 84.2(2) . .
C60 La2 C59 28.55(17) . .
C61 La2 C59 46.75(17) . .
C65F La2 C59 120.30(19) . .
C63F La2 C59 73.01(19) . .
C55 La2 C59 120.40(17) . .
C52 La2 C59 166.46(18) . .
C54 La2 C66 105.3(2) . .
C53 La2 C66 84.3(2) . .
C66F La2 C66 14.1(2) . .
C62F La2 C66 15.6(2) . .
C60 La2 C66 87.0(2) . .
C61 La2 C66 105.5(2) . .
C65F La2 C66 39.1(2) . .
C63F La2 C66 40.3(2) . .
C55 La2 C66 130.2(2) . .
C52 La2 C66 92.6(2) . .
C59 La2 C66 99.5(2) . .
N6 Yb1 N3 89.37(11) . .
N6 Yb1 N5 88.44(11) . .
N3 Yb1 N5 177.81(10) . .
N6 Yb1 N1 176.29(13) . .
N3 Yb1 N1 88.92(11) . .
N5 Yb1 N1 93.27(11) . .
N6 Yb1 N4 90.54(12) . .
N3 Yb1 N4 92.34(12) . .
N5 Yb1 N4 87.70(13) . .
N1 Yb1 N4 92.82(11) . .
N6 Yb1 N2 89.63(12) . .
N3 Yb1 N2 89.09(12) . .
N5 Yb1 N2 90.87(12) . .
N1 Yb1 N2 87.05(11) . .
N4 Yb1 N2 178.56(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.343(5) .
C1 C2 1.385(5) .
C1 Sn1 2.214(4) .
C2 C3 1.374(7) .
C2 H2 0.95 .
C3 C4 1.362(8) .
C3 H3 0.95 .
C4 C5 1.365(6) .
C4 C6 1.546(10) .
C4 C6F 1.551(12) .
C5 N1 1.341(6) .
C5 H5 0.95 .
C6 H6A 0.98 .
C6 H6B 0.98 .
C6 H6C 0.98 .
C6F H6F1 0.98 .
C6F H6F2 0.98 .
C6F H6F3 0.98 .
C7 N2 1.346(5) .
C7 C8 1.393(6) .
C7 Sn1 2.202(4) .
C8 C9 1.374(6) .
C8 H8 0.95 .
C9 C10 1.370(8) .
C9 H9 0.95 .
C10 C11 1.370(8) .
C10 C12 1.514(7) .
C11 N2 1.353(5) .
C11 H11 0.95 .
C12 H12A 0.98 .
C12 H12B 0.98 .
C12 H12C 0.98 .
C13 N3 1.350(5) .
C13 C14 1.402(6) .
C13 Sn1 2.207(4) .
C14 C15 1.377(6) .
C14 H14 0.95 .
C15 C16 1.386(7) .
C15 H15 0.95 .
C16 C17 1.384(6) .
C16 C18 1.530(7) .
C17 N3 1.357(6) .
C17 H17 0.95 .
C18 H18A 0.98 .
C18 H18B 0.98 .
C18 H18C 0.98 .
C19 N4 1.337(5) .
C19 C20 1.390(7) .
C19 Sn2 2.203(4) .
C20 C21 1.380(6) .
C20 H20 0.95 .
C21 C22 1.379(7) .
C21 H21 0.95 .
C22 C23 1.380(7) .
C22 C24 1.497(6) .
C23 N4 1.350(5) .
C23 H23 0.95 .
C24 H24A 0.98 .
C24 H24B 0.98 .
C24 H24C 0.98 .
C25 N5 1.360(5) .
C25 C26 1.376(6) .
C25 Sn2 2.210(4) .
C26 C27 1.388(6) .
C26 H26 0.95 .
C27 C28 1.390(6) .
C27 H27 0.95 .
C28 C29 1.366(6) .
C28 C30 1.513(7) .
C29 N5 1.360(6) .
C29 H29 0.95 .
C30 H30A 0.98 .
C30 H30B 0.98 .
C30 H30C 0.98 .
C31 N6 1.349(6) .
C31 C32 1.372(6) .
C31 Sn2 2.214(5) .
C32 C33 1.376(7) .
C32 H32 0.95 .
C33 C34 1.374(8) .
C33 H33 0.95 .
C34 C35 1.366(7) .
C34 C36 1.512(8) .
C35 N6 1.344(6) .
C35 H35 0.95 .
C36 H36A 0.98 .
C36 H36B 0.98 .
C36 H36C 0.98 .
C37 C41 1.390(9) .
C37 C38 1.402(9) .
C37 La1 2.844(5) .
C37 H37 0.95 .
C38 C39 1.340(9) .
C38 La1 2.820(6) .
C38 H38 0.95 .
C39 C40 1.365(10) .
C39 La1 2.812(6) .
C39 H39 0.95 .
C40 C41 1.368(9) .
C40 La1 2.833(6) .
C40 H40 0.95 .
C41 La1 2.853(6) .
C41 H41 0.95 .
C42 C43 1.381(8) .
C42 C46 1.396(8) .
C42 La1 2.863(5) .
C42 H42 0.95 .
C43 C44 1.380(7) .
C43 La1 2.879(5) .
C43 H43 0.95 .
C44 C45 1.378(8) .
C44 La1 2.847(5) .
C44 H44 0.95 .
C45 C46 1.393(8) .
C45 La1 2.821(5) .
C45 H45 0.95 .
C46 La1 2.828(5) .
C46 H46 0.95 .
C47 C48 1.385(6) .
C47 C51 1.391(8) .
C47 La1 2.872(4) .
C47 H47 0.95 .
C48 C49 1.378(8) .
C48 La1 2.899(5) .
C48 H48 0.95 .
C49 C50 1.395(7) .
C49 La1 2.882(5) .
C49 H49 0.95 .
C50 C51 1.354(7) .
C50 La1 2.842(5) .
C50 H50 0.95 .
C51 La1 2.823(4) .
C51 H51 0.95 .
C52 C53 1.353(8) .
C52 C56 1.364(9) .
C52 La2 2.852(5) .
C52 H52 0.95 .
C53 C54 1.369(9) .
C53 La2 2.817(6) .
C53 H53 0.95 .
C54 C55 1.387(9) .
C54 La2 2.797(6) .
C54 H54 0.95 .
C55 C56 1.380(8) .
C55 La2 2.849(5) .
C55 H55 0.95 .
C56 La2 2.873(5) .
C56 H56 0.95 .
C57 C58 1.386(8) .
C57 C61 1.408(8) .
C57 La2 2.874(5) .
C57 H57 0.95 .
C58 C59 1.407(8) .
C58 La2 2.876(5) .
C58 H58 0.95 .
C59 C60 1.401(8) .
C59 La2 2.854(5) .
C59 H59 0.95 .
C60 C61 1.392(8) .
C60 La2 2.828(5) .
C60 H60 0.95 .
C61 La2 2.844(5) .
C61 H61 0.95 .
C62 C63 1.341(12) .
C62 C66 1.383(13) .
C62 La2 2.874(9) .
C62 H62 0.95 .
C63 C64 1.380(12) .
C63 La2 2.915(9) .
C63 H63 0.95 .
C64 C65 1.409(14) .
C64 La2 2.908(9) .
C64 H64 0.95 .
C65 C66 1.410(11) .
C65 La2 2.898(10) .
C65 H65 0.95 .
C66 La2 2.863(10) .
C66 H66 0.95 .
C62F C66F 1.401(10) .
C62F C63F 1.417(12) .
C62F La2 2.821(8) .
C62F H62F 0.95 .
C63F C64F 1.410(9) .
C63F La2 2.847(8) .
C63F H63F 0.95 .
C64F C65F 1.460(12) .
C64F La2 2.900(8) .
C64F H64F 0.95 .
C65F C66F 1.409(10) .
C65F La2 2.847(8) .
C65F H65F 0.95 .
C66F La2 2.821(8) .
C66F H66F 0.95 .
C70 C71 1.39 .
C70 C75 1.39 .
C70 H70 0.95 .
C71 C72 1.39 .
C71 H71 0.95 .
C72 C73 1.39 .
C72 H72 0.95 .
C73 C74 1.39 .
C73 H73 0.95 .
C74 C75 1.39 .
C74 C76 1.60(2) .
C75 H75 0.95 .
C76 H76A 0.98 .
C76 H76B 0.98 .
C76 H76C 0.98 .
C70F C71F 1.39 .
C70F C75F 1.39 .
C70F H70F 0.95 .
C71F C72F 1.39 .
C71F H71F 0.95 .
C72F C73F 1.39 .
C72F H72F 0.95 .
C73F C74F 1.39 .
C73F H73F 0.95 .
C74F C75F 1.39 .
C74F C76F 1.653(19) .
C75F H75F 0.95 .
C76F H76D 0.98 .
C76F H76E 0.98 .
C76F H76F 0.98 .
C80 C85 1.350(9) .
C80 C81 1.384(6) .
C80 C86 1.503(7) .
C81 C82 1.378(7) .
C81 H81 0.95 .
C82 C83 1.394(7) .
C82 H82 0.95 .
C83 C84 1.389(6) .
C83 H83 0.95 .
C84 C85 1.390(7) .
C84 H84 0.95 .
C85 H85 0.95 .
C86 H86A 0.98 .
C86 H86B 0.98 .
C86 H86C 0.98 .
C87 C88 1.385(7) .
C87 C92 1.395(11) .
C87 H87 0.95 .
C88 C89 1.391(7) .
C88 H88 0.95 .
C89 C90 1.382(7) .
C89 C93 1.483(7) .
C90 C91 1.383(7) .
C90 H90 0.95 .
C91 C92 1.378(7) .
C91 H91 0.95 .
C92 H92 0.95 .
C93 H93A 0.98 .
C93 H93B 0.98 .
C93 H93C 0.98 .
C94 C95 1.365(7) .
C94 C96 1.379(9) 3_656
C94 H94 0.95 .
C95 C96 1.382(7) .
C95 H95 0.95 .
C97 C96 1.488(8) .
C97 H97A 0.98 .
C97 H97B 0.98 .
C97 H97C 0.98 .
C96 C94 1.379(9) 3_656
C96 H96 0.95 .
N1 Yb1 2.504(3) .
N2 Yb1 2.507(4) .
N3 Yb1 2.488(3) .
N4 Yb1 2.505(4) .
N5 Yb1 2.491(4) .
N6 Yb1 2.482(3) .
Sn1 La1 3.3303(4) .
Sn2 La2 3.3404(4) .
