#------------------------------------------------------------------------------
#$Date: 2025-03-04 20:09:12 +0200 (Tue, 04 Mar 2025) $
#$Revision: 297990 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/40/7134098.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_7134098
loop_
_publ_author_name
'Wetzel, Philipp'
'Maichle-Mössmer, Cäcilia'
'Anwander, Reiner'
_publ_section_title
;
 A homoleptic rare-earth-metal tetramethylindate.
;
_journal_issue                   10
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2123
_journal_page_last               2126
_journal_paper_doi               10.1039/d4cc06213b
_journal_volume                  61
_journal_year                    2025
_chemical_formula_sum            'C31 H71 In7 La4'
_chemical_formula_weight         1803.25
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-11-18 deposited with the CCDC.	2024-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.459(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.1039(7)
_cell_length_b                   22.1363(17)
_cell_length_c                   12.8721(10)
_cell_measurement_reflns_used    931
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.75
_cell_measurement_theta_min      4.413
_cell_volume                     2445.9(3)
_computing_cell_refinement       'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_data_collection       'APEX3 v2019.11-0'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Bruker APEX II DUO'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0537
_diffrn_reflns_av_unetI/netI     0.0339
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            59742
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.682
_diffrn_reflns_theta_min         2.373
_diffrn_source                   'ImuS-focus sealed tube'
_exptl_absorpt_coefficient_mu    6.657
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.448
_exptl_crystal_description       needle
_exptl_crystal_F_000             1656
_exptl_crystal_size_max          0.157
_exptl_crystal_size_mid          0.116
_exptl_crystal_size_min          0.071
_exptl_transmission_factor_max   0.7463
_exptl_transmission_factor_min   0.5890
_refine_diff_density_max         5.589
_refine_diff_density_min         -2.276
_refine_diff_density_rms         0.233
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         8048
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      1.127
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0237P)²+24.9032P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0897
_refine_ls_wR_factor_ref         0.0912
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7470
_reflns_number_total             8048
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc06213b2.cif
_cod_data_source_block           4a_mo_PW198_VT_0m_a
_cod_depositor_comments
'Adding full bibliography for 7134096--7134101.cif.'
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               7134098
_shelx_shelxl_version_number     2019/3
_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   0.421
_shelx_estimated_absorpt_t_max   0.649
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1535(7) 0.1560(3) 0.6915(5) 0.0288(13) Uani 1 1 d . . . . .
H1A H 0.087408 0.188440 0.648831 0.043 Uiso 1 1 calc R U . . .
H1B H 0.240454 0.173530 0.751096 0.043 Uiso 1 1 calc R U . . .
H1C H 0.091988 0.129986 0.723002 0.043 Uiso 1 1 calc R U . . .
C2 C 0.0447(8) 0.250000 0.4288(6) 0.0128(11) Uani 1 2 d S T P . .
H2 H -0.018(8) 0.287(3) 0.448(5) 0.019 Uiso 1 1 d . U . . .
C3 C 0.0294(7) 0.0748(3) 0.4406(5) 0.0259(12) Uani 1 1 d . . . . .
H3A H -0.037834 0.110335 0.417117 0.039 Uiso 1 1 calc R U . . .
H3B H -0.026491 0.043252 0.465516 0.039 Uiso 1 1 calc R U . . .
H3C H 0.058379 0.059698 0.378490 0.039 Uiso 1 1 calc R U . . .
C4 C 0.3673(8) 0.0211(3) 0.6636(6) 0.0364(16) Uani 1 1 d . . . . .
H4A H 0.291801 -0.007101 0.675939 0.055 Uiso 1 1 calc R U . . .
H4B H 0.443819 0.032603 0.734511 0.055 Uiso 1 1 calc R U . . .
H4C H 0.420843 0.001571 0.617858 0.055 Uiso 1 1 calc R U . . .
C5 C 0.3845(6) 0.1687(2) 0.5078(4) 0.0146(9) Uani 1 1 d D . . . .
H5 H 0.417(8) 0.139(2) 0.465(5) 0.022 Uiso 1 1 d D U . . .
C6 C 0.7401(9) 0.250000 0.6221(6) 0.0194(14) Uani 1 2 d DS T P . .
H6A H 0.822(6) 0.250000 0.691(3) 0.029 Uiso 1 2 d DS U P . .
H6B H 0.770(4) 0.250000 0.558(2) 0.029 Uiso 1 2 d DS U P . .
C7 C 0.7409(8) 0.0794(3) 0.6241(6) 0.0323(13) Uani 1 1 d . . . . .
H7A H 0.661920 0.048337 0.592808 0.048 Uiso 1 1 calc R U . . .
H7B H 0.812863 0.065519 0.695093 0.048 Uiso 1 1 calc R U . . .
H7C H 0.798890 0.087162 0.573543 0.048 Uiso 1 1 calc R U . . .
C8 C 0.5863(8) 0.1712(4) 0.8062(5) 0.0330(14) Uani 1 1 d . . . . .
H8A H 0.497551 0.198233 0.796797 0.050 Uiso 1 1 calc R U . . .
H8B H 0.679180 0.188057 0.861508 0.050 Uiso 1 1 calc R U . . .
H8C H 0.563363 0.131441 0.830675 0.050 Uiso 1 1 calc R U . . .
C9 C 0.2666(8) 0.250000 0.2496(6) 0.0135(12) Uani 1 2 d S T P . .
C10 C 0.6276(6) 0.3407(3) 0.3138(5) 0.0220(11) Uani 1 1 d . . . . .
H10A H 0.682643 0.372632 0.288917 0.033 Uiso 1 1 calc R U . . .
H10B H 0.684373 0.302515 0.319589 0.033 Uiso 1 1 calc R U . . .
H10C H 0.621175 0.351416 0.385994 0.033 Uiso 1 1 calc R U . . .
C11 C 0.4008(9) 0.3367(4) 0.0283(6) 0.0397(17) Uani 1 1 d . . . . .
H11A H 0.296968 0.342442 -0.026147 0.060 Uiso 1 1 calc R U . . .
H11B H 0.446771 0.299430 0.011576 0.060 Uiso 1 1 calc R U . . .
H11C H 0.467237 0.371081 0.025747 0.060 Uiso 1 1 calc R U . . .
C12 C 0.2747(6) 0.4162(3) 0.2278(5) 0.0237(11) Uani 1 1 d . . . . .
H12A H 0.321801 0.451206 0.204400 0.036 Uiso 1 1 calc R U . . .
H12B H 0.293527 0.418720 0.307193 0.036 Uiso 1 1 calc R U . . .
H12C H 0.162249 0.415921 0.188116 0.036 Uiso 1 1 calc R U . . .
C13 C -0.1148(6) 0.1736(3) 0.1297(5) 0.0212(10) Uani 1 1 d . . . . .
H13A H -0.211367 0.170400 0.066650 0.032 Uiso 1 1 calc R U . . .
H13B H -0.140070 0.181626 0.196690 0.032 Uiso 1 1 calc R U . . .
H13C H -0.056652 0.135616 0.138230 0.032 Uiso 1 1 calc R U . . .
C14 C 0.0285(11) 0.250000 -0.0684(7) 0.036(2) Uani 1 2 d S T P . .
H14A H -0.058588 0.274817 -0.113504 0.054 Uiso 0.5 1 calc R U P . .
H14B H 0.015798 0.208528 -0.096637 0.054 Uiso 0.5 1 calc R U P . .
H14C H 0.126639 0.266655 -0.071503 0.054 Uiso 0.5 1 calc R U P . .
C15 C -0.0461(13) 0.5402(5) 0.0674(8) 0.063(2) Uani 1 1 d . U . . .
H15 H -0.075120 0.568188 0.113065 0.075 Uiso 1 1 calc R U . . .
C16 C 0.0907(12) 0.5462(4) 0.0461(7) 0.0552(18) Uani 1 1 d . U . . .
H16 H 0.155425 0.579298 0.079729 0.066 Uiso 1 1 calc R U . . .
C17 C 0.1429(13) 0.5095(5) -0.0183(8) 0.061(2) Uani 1 1 d D U . . .
H17 H 0.239(3) 0.512(5) -0.036(5) 0.074 Uiso 0.5 1 d D U P A 2
C18 C 0.293(2) 0.5169(11) -0.0355(19) 0.077(5) Uani 0.5 1 d D U P . .
H18A H 0.293(11) 0.490(6) -0.095(10) 0.115 Uiso 0.5 1 d D U P B 1
H18B H 0.376(5) 0.507(8) 0.032(6) 0.115 Uiso 0.5 1 d D U P C 1
H18C H 0.303(11) 0.558(2) -0.055(15) 0.115 Uiso 0.5 1 d D U P D 1
In1 In 0.24728(4) 0.10081(2) 0.58051(3) 0.02170(9) Uani 1 1 d . . . . .
In2 In 0.62838(4) 0.16179(2) 0.64807(3) 0.02022(8) Uani 1 1 d . . . . .
In3 In 0.38233(4) 0.33013(2) 0.18995(3) 0.01970(8) Uani 1 1 d . . . . .
In4 In 0.03181(6) 0.250000 0.10077(4) 0.01605(10) Uani 1 2 d S T P . .
La1 La 0.29782(5) 0.250000 0.61070(3) 0.01544(8) Uani 1 2 d S T P . .
La2 La 0.13507(3) 0.16733(2) 0.33031(2) 0.01201(6) Uani 1 1 d . . . . .
La3 La 0.52529(4) 0.250000 0.42352(3) 0.01061(7) Uani 1 2 d DS T P . .
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'
In In -0.7276 1.3100 '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'
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
In1 C1 La1 81.11(17) . . ?
In1 C1 H1A 109.5 . . ?
La1 C1 H1A 61.9 . . ?
In1 C1 H1B 109.5 . . ?
La1 C1 H1B 69.2 . . ?
H1A C1 H1B 109.5 . . ?
In1 C1 H1C 109.5 . . ?
La1 C1 H1C 168.7 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
La2 C2 La2 93.3(2) . 4_565 ?
La2 C2 La1 96.29(18) . . ?
La2 C2 La1 96.29(18) 4_565 . ?
La2 C2 H2 164(4) . . ?
La2 C2 H2 82(4) 4_565 . ?
La1 C2 H2 100(4) . . ?
In1 C3 La2 82.05(17) . . ?
In1 C3 H3A 109.5 . . ?
La2 C3 H3A 63.1 . . ?
In1 C3 H3B 109.5 . . ?
La2 C3 H3B 168.3 . . ?
H3A C3 H3B 109.5 . . ?
In1 C3 H3C 109.5 . . ?
La2 C3 H3C 67.1 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
In1 C4 H4A 109.5 . . ?
In1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
In1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
In1 C5 In2 98.29(18) . . ?
In1 C5 La1 86.88(16) . . ?
In2 C5 La1 91.33(17) . . ?
In1 C5 La2 85.34(15) . . ?
In2 C5 La2 170.5(2) . . ?
La1 C5 La2 97.70(16) . . ?
In1 C5 La3 176.5(2) . . ?
In2 C5 La3 84.06(15) . . ?
La1 C5 La3 90.49(16) . . ?
La2 C5 La3 92.74(15) . . ?
In1 C5 H5 96(4) . . ?
In2 C5 H5 90(4) . . ?
La1 C5 H5 177(4) . . ?
La2 C5 H5 81(4) . . ?
La3 C5 H5 87(4) . . ?
In2 C6 In2 118.1(3) . 4_565 ?
In2 C6 La3 85.4(2) . . ?
In2 C6 La3 85.4(2) 4_565 . ?
In2 C6 H6A 96(2) . . ?
In2 C6 H6A 96(2) 4_565 . ?
La3 C6 H6A 176(4) . . ?
In2 C6 H6B 113.5(9) . . ?
In2 C6 H6B 113.5(8) 4_565 . ?
La3 C6 H6B 60(2) . . ?
H6A C6 H6B 117(4) . . ?
In2 C7 H7A 109.5 . . ?
In2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
In2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
In2 C8 H8A 109.5 . . ?
In2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
In2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
In3 C9 In3 99.7(3) . 4_565 ?
In3 C9 In4 96.9(2) . . ?
In3 C9 In4 96.9(2) 4_565 . ?
In3 C9 La2 174.6(3) . . ?
In3 C9 La2 85.07(3) 4_565 . ?
In4 C9 La2 84.85(18) . . ?
In3 C9 La2 85.07(3) . 4_565 ?
In3 C9 La2 174.6(3) 4_565 4_565 ?
In4 C9 La2 84.85(18) . 4_565 ?
La2 C9 La2 90.1(2) . 4_565 ?
In3 C9 La3 84.61(18) . . ?
In3 C9 La3 84.61(18) 4_565 . ?
In4 C9 La3 177.6(3) . . ?
La2 C9 La3 93.48(18) . . ?
La2 C9 La3 93.48(18) 4_565 . ?
In3 C10 La3 82.29(16) . . ?
In3 C10 H10A 109.5 . . ?
La3 C10 H10A 168.2 . . ?
In3 C10 H10B 109.5 . . ?
La3 C10 H10B 66.3 . . ?
H10A C10 H10B 109.5 . . ?
In3 C10 H10C 109.5 . . ?
La3 C10 H10C 63.8 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
In3 C11 H11A 109.5 . . ?
In3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
In3 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
In3 C12 La2 80.98(16) . 4_565 ?
In3 C12 H12A 109.5 . . ?
La2 C12 H12A 167.7 4_565 . ?
In3 C12 H12B 109.5 . . ?
La2 C12 H12B 59.8 4_565 . ?
H12A C12 H12B 109.5 . . ?
In3 C12 H12C 109.5 . . ?
La2 C12 H12C 71.5 4_565 . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
In4 C13 La2 81.20(15) . . ?
In4 C13 H13A 109.5 . . ?
La2 C13 H13A 169.2 . . ?
In4 C13 H13B 109.5 . . ?
La2 C13 H13B 63.7 . . ?
H13A C13 H13B 109.5 . . ?
In4 C13 H13C 109.5 . . ?
La2 C13 H13C 67.3 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
In4 C14 H14A 109.5 . . ?
In4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
In4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
In4 C14 H14A 109.5(16) . 4_565 ?
H14A C14 H14A 68.2 . 4_565 ?
H14B C14 H14A 44.2 . 4_565 ?
H14C C14 H14A 139.0 . 4_565 ?
In4 C14 H14B 109.5(4) . 4_565 ?
H14A C14 H14B 44.2 . 4_565 ?
H14B C14 H14B 139.0 . 4_565 ?
H14C C14 H14B 68.2 . 4_565 ?
H14A C14 H14B 109.5 4_565 4_565 ?
In4 C14 H14C 109.5(13) . 4_565 ?
H14A C14 H14C 139.0 . 4_565 ?
H14B C14 H14C 68.2 . 4_565 ?
H14C C14 H14C 44.2 . 4_565 ?
H14A C14 H14C 109.5 4_565 4_565 ?
H14B C14 H14C 109.5 4_565 4_565 ?
C16 C15 C17 117.2(11) . 3_565 ?
C16 C15 H15 121.4 . . ?
C17 C15 H15 121.4 3_565 . ?
C17 C16 C15 126.4(10) . . ?
C17 C16 H16 116.8 . . ?
C15 C16 H16 116.8 . . ?
C16 C17 C15 116.4(10) . 3_565 ?
C16 C17 C18 124.1(14) . . ?
C15 C17 C18 119.5(15) 3_565 . ?
C16 C17 H17 129(6) . . ?
C15 C17 H17 115(6) 3_565 . ?
C18 C17 H17 5(5) . . ?
C17 C18 H17 10(10) . . ?
C17 C18 H18A 107(3) . . ?
C17 C18 H18B 109(4) . . ?
H18A C18 H18B 111(4) . . ?
C17 C18 H18C 109(3) . . ?
H18A C18 H18C 111(4) . . ?
H18B C18 H18C 110(4) . . ?
C4 In1 C1 111.4(3) . . ?
C4 In1 C3 110.5(2) . . ?
C1 In1 C3 103.1(2) . . ?
C4 In1 C5 118.2(2) . . ?
C1 In1 C5 105.8(2) . . ?
C3 In1 C5 106.70(19) . . ?
C4 In1 La1 136.3(2) . . ?
C1 In1 La1 57.08(16) . . ?
C3 In1 La1 113.19(15) . . ?
C5 In1 La1 48.73(13) . . ?
C4 In1 La2 140.4(2) . . ?
C1 In1 La2 108.09(16) . . ?
C3 In1 La2 56.30(14) . . ?
C5 In1 La2 50.96(12) . . ?
La1 In1 La2 70.470(11) . . ?
C7 In2 C8 116.6(3) . . ?
C7 In2 C6 116.5(2) . . ?
C8 In2 C6 106.2(3) . . ?
C7 In2 C5 108.4(2) . . ?
C8 In2 C5 107.0(2) . . ?
C6 In2 C5 100.7(2) . . ?
C7 In2 La3 112.19(19) . . ?
C8 In2 La3 131.0(2) . . ?
C6 In2 La3 52.01(18) . . ?
C5 In2 La3 51.64(12) . . ?
C7 In2 La1 151.77(19) . . ?
C8 In2 La1 70.52(19) . . ?
C6 In2 La1 84.65(17) . . ?
C5 In2 La1 46.16(12) . . ?
La3 In2 La1 64.765(11) . . ?
C11 In3 C12 109.3(3) . . ?
C11 In3 C10 107.2(3) . . ?
C12 In3 C10 99.0(2) . . ?
C11 In3 C9 124.3(3) . . ?
C12 In3 C9 107.15(19) . . ?
C10 In3 C9 107.1(2) . . ?
C11 In3 La2 144.2(2) . 4_565 ?
C12 In3 La2 56.62(14) . 4_565 ?
C10 In3 La2 107.51(15) . 4_565 ?
C9 In3 La2 50.85(13) . 4_565 ?
C11 In3 La3 140.4(2) . . ?
C12 In3 La3 108.53(15) . . ?
C10 In3 La3 55.36(14) . . ?
C9 In3 La3 51.91(16) . . ?
La2 In3 La3 69.685(12) 4_565 . ?
C14 In4 C13 110.7(2) . . ?
C14 In4 C13 110.7(2) . 4_565 ?
C13 In4 C13 96.8(3) . 4_565 ?
C14 In4 C9 121.6(3) . . ?
C13 In4 C9 107.02(17) . . ?
C13 In4 C9 107.02(17) 4_565 . ?
C14 In4 La2 142.74(11) . . ?
C13 In4 La2 56.71(14) . . ?
C13 In4 La2 105.81(14) 4_565 . ?
C9 In4 La2 50.61(12) . . ?
C14 In4 La2 142.74(11) . 4_565 ?
C13 In4 La2 105.81(14) . 4_565 ?
C13 In4 La2 56.71(14) 4_565 4_565 ?
C9 In4 La2 50.61(12) . 4_565 ?
La2 In4 La2 66.595(14) . 4_565 ?
C5 La1 C5 91.5(2) 4_565 . ?
C5 La1 C2 82.49(15) 4_565 . ?
C5 La1 C2 82.49(15) . . ?
C5 La1 C1 169.69(17) 4_565 . ?
C5 La1 C1 86.16(18) . . ?
C2 La1 C1 87.24(16) . . ?
C5 La1 C1 86.16(18) 4_565 4_565 ?
C5 La1 C1 169.69(17) . 4_565 ?
C2 La1 C1 87.24(16) . 4_565 ?
C1 La1 C1 94.4(3) . 4_565 ?
C5 La1 In1 44.40(11) 4_565 4_565 ?
C5 La1 In1 134.62(11) . 4_565 ?
C2 La1 In1 81.573(10) . 4_565 ?
C1 La1 In1 134.87(13) . 4_565 ?
C1 La1 In1 41.80(14) 4_565 4_565 ?
C5 La1 In1 134.62(11) 4_565 . ?
C5 La1 In1 44.40(11) . . ?
C2 La1 In1 81.573(10) . . ?
C1 La1 In1 41.80(14) . . ?
C1 La1 In1 134.86(13) 4_565 . ?
In1 La1 In1 163.002(19) 4_565 . ?
C5 La1 In2 93.77(11) 4_565 . ?
C5 La1 In2 42.50(11) . . ?
C2 La1 In2 124.89(10) . . ?
C1 La1 In2 91.28(13) . . ?
C1 La1 In2 147.63(13) 4_565 . ?
In1 La1 In2 130.514(14) 4_565 . ?
In1 La1 In2 62.672(10) . . ?
C5 La1 In2 42.50(11) 4_565 4_565 ?
C5 La1 In2 93.77(11) . 4_565 ?
C2 La1 In2 124.89(11) . 4_565 ?
C1 La1 In2 147.64(13) . 4_565 ?
C1 La1 In2 91.28(13) 4_565 4_565 ?
In1 La1 In2 62.672(10) 4_565 4_565 ?
In1 La1 In2 130.514(14) . 4_565 ?
In2 La1 In2 68.183(17) . 4_565 ?
C5 La1 La3 46.18(11) 4_565 . ?
C5 La1 La3 46.18(11) . . ?
C2 La1 La3 86.31(14) . . ?
C1 La1 La3 132.34(14) . . ?
C1 La1 La3 132.34(14) 4_565 . ?
In1 La1 La3 90.552(10) 4_565 . ?
In1 La1 La3 90.552(10) . . ?
In2 La1 La3 55.888(10) . . ?
In2 La1 La3 55.888(10) 4_565 . ?
C5 La1 La2 86.39(11) 4_565 . ?
C5 La1 La2 42.29(11) . . ?
C2 La1 La2 40.21(10) . . ?
C1 La1 La2 85.13(14) . . ?
C1 La1 La2 127.45(13) 4_565 . ?
In1 La1 La2 111.326(13) 4_565 . ?
In1 La1 La2 55.200(9) . . ?
In2 La1 La2 84.756(10) . . ?
In2 La1 La2 115.985(13) 4_565 . ?
La3 La1 La2 60.777(10) . . ?
C5 La1 La2 42.29(11) 4_565 4_565 ?
C5 La1 La2 86.39(11) . 4_565 ?
C2 La1 La2 40.21(10) . 4_565 ?
C1 La1 La2 127.45(13) . 4_565 ?
C1 La1 La2 85.13(14) 4_565 4_565 ?
In1 La1 La2 55.200(9) 4_565 4_565 ?
In1 La1 La2 111.327(13) . 4_565 ?
In2 La1 La2 115.986(13) . 4_565 ?
In2 La1 La2 84.755(10) 4_565 4_565 ?
La3 La1 La2 60.777(9) . 4_565 ?
La2 La1 La2 56.379(11) . 4_565 ?
C2 La2 C9 87.76(16) . . ?
C2 La2 C5 83.51(19) . . ?
C9 La2 C5 87.68(18) . . ?
C2 La2 C12 172.14(18) . 4_565 ?
C9 La2 C12 86.25(17) . 4_565 ?
C5 La2 C12 91.17(16) . 4_565 ?
C2 La2 C13 97.26(19) . . ?
C9 La2 C13 86.43(18) . . ?
C5 La2 C13 174.02(16) . . ?
C12 La2 C13 87.44(17) 4_565 . ?
C2 La2 C3 92.89(18) . . ?
C9 La2 C3 172.49(19) . . ?
C5 La2 C3 84.96(16) . . ?
C12 La2 C3 92.39(19) 4_565 . ?
C13 La2 C3 100.90(17) . . ?
C2 La2 In3 131.02(12) . 4_565 ?
C9 La2 In3 44.08(11) . 4_565 ?
C5 La2 In3 85.79(11) . 4_565 ?
C12 La2 In3 42.39(13) 4_565 4_565 ?
C13 La2 In3 89.27(11) . 4_565 ?
C3 La2 In3 133.50(13) . 4_565 ?
C2 La2 In4 90.26(13) . . ?
C9 La2 In4 44.54(15) . . ?
C5 La2 In4 132.10(11) . . ?
C12 La2 In4 89.04(13) 4_565 . ?
C13 La2 In4 42.09(11) . . ?
C3 La2 In4 142.89(12) . . ?
In3 La2 In4 63.315(12) 4_565 . ?
C2 La2 In1 83.24(13) . . ?
C9 La2 In1 131.18(15) . . ?
C5 La2 In1 43.70(11) . . ?
C12 La2 In1 96.92(13) 4_565 . ?
C13 La2 In1 142.26(11) . . ?
C3 La2 In1 41.64(12) . . ?
In3 La2 In1 118.790(13) 4_565 . ?
In4 La2 In1 172.571(13) . . ?
C2 La2 La2 43.34(11) . 4_565 ?
C9 La2 La2 44.97(11) . 4_565 ?
C5 La2 La2 89.36(11) . 4_565 ?
C12 La2 La2 131.16(13) 4_565 4_565 ?
C13 La2 La2 87.18(12) . 4_565 ?
C3 La2 La2 136.23(14) . 4_565 ?
In3 La2 La2 89.031(8) 4_565 4_565 ?
In4 La2 La2 56.703(7) . 4_565 ?
In1 La2 La2 115.868(9) . 4_565 ?
C2 La2 La3 85.37(14) . . ?
C9 La2 La3 43.95(15) . . ?
C5 La2 La3 43.76(11) . . ?
C12 La2 La3 86.78(12) 4_565 . ?
C13 La2 La3 130.31(11) . . ?
C3 La2 La3 128.62(12) . . ?
In3 La2 La3 55.580(10) 4_565 . ?
In4 La2 La3 88.484(11) . . ?
In1 La2 La3 87.425(10) . . ?
La2 La2 La3 61.352(5) 4_565 . ?
C2 La2 La1 43.50(15) . . ?
C9 La2 La1 87.44(13) . . ?
C5 La2 La1 40.01(11) . . ?
C12 La2 La1 131.00(12) 4_565 . ?
C13 La2 La1 140.50(12) . . ?
C3 La2 La1 87.88(14) . . ?
In3 La2 La1 112.359(12) 4_565 . ?
In4 La2 La1 118.285(11) . . ?
In1 La2 La1 54.330(10) . . ?
La2 La2 La1 61.811(5) 4_565 . ?
La3 La2 La1 56.879(9) . . ?
C2 La2 H5 104.6(6) . . ?
C9 La2 H5 87.2(15) . . ?
C5 La2 H5 21.1(5) . . ?
C12 La2 H5 70.1(5) 4_565 . ?
C13 La2 H5 157.0(7) . . ?
C3 La2 H5 85.4(15) . . ?
In3 La2 H5 71.0(12) 4_565 . ?
In4 La2 H5 129.4(15) . . ?
In1 La2 H5 49.8(14) . . ?
La2 La2 H5 103.7(12) 4_565 . ?
La3 La2 H5 46.4(15) . . ?
La1 La2 H5 61.1(5) . . ?
C5 La3 C5 85.9(2) 4_565 . ?
C5 La3 C6 84.68(16) 4_565 . ?
C5 La3 C6 84.68(16) . . ?
C5 La3 C9 86.03(15) 4_565 . ?
C5 La3 C9 86.03(15) . . ?
C6 La3 C9 167.3(2) . . ?
C5 La3 C10 171.14(15) 4_565 4_565 ?
C5 La3 C10 90.40(17) . 4_565 ?
C6 La3 C10 102.99(16) . 4_565 ?
C9 La3 C10 85.70(15) . 4_565 ?
C5 La3 C10 90.40(17) 4_565 . ?
C5 La3 C10 171.14(15) . . ?
C6 La3 C10 102.99(16) . . ?
C9 La3 C10 85.70(15) . . ?
C10 La3 C10 92.1(3) 4_565 . ?
C5 La3 In2 44.30(10) 4_565 4_565 ?
C5 La3 In2 94.46(11) . 4_565 ?
C6 La3 In2 42.61(8) . 4_565 ?
C9 La3 In2 129.94(10) . 4_565 ?
C10 La3 In2 144.24(11) 4_565 4_565 ?
C10 La3 In2 88.43(13) . 4_565 ?
C5 La3 In2 94.46(11) 4_565 . ?
C5 La3 In2 44.30(10) . . ?
C6 La3 In2 42.61(9) . . ?
C9 La3 In2 129.94(10) . . ?
C10 La3 In2 88.43(13) 4_565 . ?
C10 La3 In2 144.24(11) . . ?
In2 La3 In2 71.239(17) 4_565 . ?
C5 La3 In3 84.90(11) 4_565 . ?
C5 La3 In3 129.12(10) . . ?
C6 La3 In3 143.59(8) . . ?
C9 La3 In3 43.48(9) . . ?
C10 La3 In3 91.26(13) 4_565 . ?
C10 La3 In3 42.36(11) . . ?
In2 La3 In3 112.210(12) 4_565 . ?
In2 La3 In3 173.401(14) . . ?
C5 La3 In3 129.12(10) 4_565 4_565 ?
C5 La3 In3 84.90(11) . 4_565 ?
C6 La3 In3 143.59(8) . 4_565 ?
C9 La3 In3 43.48(9) . 4_565 ?
C10 La3 In3 42.36(11) 4_565 4_565 ?
C10 La3 In3 91.26(13) . 4_565 ?
In2 La3 In3 173.401(14) 4_565 4_565 ?
In2 La3 In3 112.211(12) . 4_565 ?
In3 La3 In3 63.782(17) . 4_565 ?
C5 La3 La1 43.33(11) 4_565 . ?
C5 La3 La1 43.33(11) . . ?
C6 La3 La1 76.29(17) . . ?
C9 La3 La1 91.01(15) . . ?
C10 La3 La1 133.71(12) 4_565 . ?
C10 La3 La1 133.71(12) . . ?
In2 La3 La1 59.348(10) 4_565 . ?
In2 La3 La1 59.347(10) . . ?
In3 La3 La1 116.973(13) . . ?
In3 La3 La1 116.973(13) 4_565 . ?
C5 La3 La2 85.86(10) 4_565 . ?
C5 La3 La2 43.50(10) . . ?
C6 La3 La2 127.85(13) . . ?
C9 La3 La2 42.57(10) . . ?
C10 La3 La2 85.91(11) 4_565 . ?
C10 La3 La2 128.26(11) . . ?
In2 La3 La2 120.941(13) 4_565 . ?
In2 La3 La2 87.461(10) . . ?
In3 La3 La2 85.942(11) . . ?
In3 La3 La2 54.737(9) 4_565 . ?
La1 La3 La2 62.344(10) . . ?
C5 La3 H6B 99.8(4) 4_565 . ?
C5 La3 H6B 99.8(4) . . ?
C6 La3 H6B 20.8(5) . . ?
C9 La3 H6B 171.9(6) . . ?
C10 La3 H6B 88.7(4) 4_565 . ?
C10 La3 H6B 88.7(4) . . ?
In2 La3 H6B 55.6(4) 4_565 . ?
In2 La3 H6B 55.6(4) . . ?
In3 La3 H6B 131.0(4) . . ?
In3 La3 H6B 131.0(4) 4_565 . ?
La1 La3 H6B 97.1(6) . . ?
La2 La3 H6B 142.8(3) . . ?
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
C1 In1 2.253(7) . ?
C1 La1 2.837(6) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 La2 2.516(5) . ?
C2 La2 2.516(5) 4_565 ?
C2 La1 2.683(7) . ?
C2 H2 1.07(7) . ?
C3 In1 2.265(6) . ?
C3 La2 2.835(6) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 In1 2.162(6) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 In1 2.340(5) . ?
C5 In2 2.354(5) . ?
C5 La1 2.513(5) . ?
C5 La2 2.630(5) . ?
C5 La3 2.643(5) . ?
C5 H5 0.97(2) . ?
C6 In2 2.277(4) . ?
C6 In2 2.277(4) 4_565 ?
C6 La3 2.651(7) . ?
C6 H6A 0.96(2) . ?
C6 H6B 0.95(2) . ?
C7 In2 2.163(7) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 In2 2.203(6) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 In3 2.320(4) . ?
C9 In3 2.321(4) 4_565 ?
C9 In4 2.348(7) . ?
C9 La2 2.587(5) . ?
C9 La2 2.587(5) 4_565 ?
C9 La3 2.654(7) . ?
C10 In3 2.283(5) . ?
C10 La3 2.787(5) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 In3 2.147(7) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 In3 2.269(6) . ?
C12 La2 2.810(5) 4_565 ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 In4 2.261(6) . ?
C13 La2 2.820(5) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 In4 2.167(9) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C14 H14A 0.98(8) 4_565 ?
C14 H14B 0.980(18) 4_565 ?
C14 H14C 0.98(6) 4_565 ?
C15 C16 1.368(15) . ?
C15 C17 1.420(15) 3_565 ?
C15 H15 0.9500 . ?
C16 C17 1.355(15) . ?
C16 H16 0.9500 . ?
C17 C18 1.462(19) . ?
C17 H17 0.974(18) . ?
C18 H17 0.5000(11) . ?
C18 H18A 0.969(19) . ?
C18 H18B 0.965(19) . ?
C18 H18C 0.966(19) . ?
In1 La1 3.3393(5) . ?
In1 La2 3.3753(5) . ?
In2 La3 3.3527(5) . ?
In2 La1 3.4836(5) . ?
In3 La2 3.3233(5) 4_565 ?
In3 La3 3.3575(5) . ?
In4 La2 3.3334(5) . ?
In4 La2 3.3335(5) 4_565 ?
La1 La3 3.6630(6) . ?
La1 La2 3.8740(5) . ?
La1 La2 3.8740(5) 4_565 ?
La2 La2 3.6600(6) 4_565 ?
La2 La3 3.8170(5) . ?
La2 H5 2.65(7) . ?
La3 H6B 2.32(4) . ?
