A homoleptic rare-earth-metal tetramethylindate.
Wetzel, Philipp; Maichle-Mössmer, Cäcilia; Anwander, Reiner; Chemical communications (Cambridge, England) 61 (2025) 2123–2126; doi:10.1039/d4cc06213b

data_7134100
_publ_section_title
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 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            'C30 H78 In9 La5'
_chemical_formula_weight         2166.85
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 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                 102.265(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.745(3)
_cell_length_b                   12.5180(16)
_cell_length_c                   23.970(3)
_cell_measurement_reflns_used    625
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.31
_cell_measurement_theta_min      2.430
_cell_volume                     6375.8(14)
_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)'
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_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 0.999
_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  0.0450
_diffrn_reflns_av_unetI/netI     0.0256
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
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_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            71587
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         30.522
_diffrn_reflns_theta_min         1.888
_diffrn_source                   'ImuS-focus sealed tube'
_exptl_absorpt_coefficient_mu    6.466
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            orang
_exptl_crystal_density_diffrn    2.257
_exptl_crystal_description       needle
_exptl_crystal_F_000             3936
_exptl_crystal_size_max          0.920
_exptl_crystal_size_mid          0.102
_exptl_crystal_size_min          0.090
_exptl_transmission_factor_max   0.7461
_exptl_transmission_factor_min   0.6980
_refine_diff_density_max         12.583
_refine_diff_density_min         -5.040
_refine_diff_density_rms         0.465
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         9723
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0692
_refine_ls_R_factor_gt           0.0639
_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/[\s^2^(Fo^2^)+(0.1175P)^2^+275.1648P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1887
_refine_ls_wR_factor_ref         0.1952
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8700
_reflns_number_total             9723
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4cc06213b2.cif
_cod_data_source_block           4b_mo_PW176Uer_2_0m_a_sq
_cod_depositor_comments
'Adding full bibliography for 7134096--7134101.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7134100
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.066
_shelx_estimated_absorpt_t_max   0.594
_shelx_res_checksum              5759
_shelx_hkl_checksum              91202
_shelx_fab_checksum              51439