Yttrium germole dianion complexes with Y-Ge bonds.
Liu, Jingjing; Singh, Kalyan; Dutta, Sayan; Feng, Zhongtao; Koley, Debasis; Tan, Gengwen; Wang, Xinping; Dalton transactions (Cambridge, England : 2003) 50 (2021) 5552–5556; doi:10.1039/d1dt00798j

data_7706880
_publ_section_title
;
 Yttrium germole dianion complexes with Y-Ge bonds.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5552
_journal_page_last               5556
_journal_paper_doi               10.1039/d1dt00798j
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C62 H112 Ge4 K2 Si8 Y2'
_chemical_formula_weight         1628.61
_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   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-03-08 deposited with the CCDC.	2021-03-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.2220(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.7531(6)
_cell_length_b                   18.6849(5)
_cell_length_c                   22.8277(6)
_cell_measurement_reflns_used    4386
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      2.61
_cell_volume                     8390.4(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0570
_diffrn_reflns_av_unetI/netI     0.0434
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            41120
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.996
_diffrn_reflns_theta_min         2.266
_exptl_absorpt_coefficient_mu    3.026
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4341
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_description       plate
_exptl_crystal_F_000             3360
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.240
_refine_diff_density_max         1.074
_refine_diff_density_min         -0.922
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         8227
_refine_ls_number_restraints     260
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0448
_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^)+(0.0823P)^2^+18.9796P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1379
_refine_ls_wR_factor_ref         0.1451
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6656
_reflns_number_total             8227
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00798j2.cif
_cod_data_source_block           c2c_a_sq
_cod_depositor_comments
'Adding full bibliography for 7706878--7706880.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7706880
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.393
_shelx_estimated_absorpt_t_max   0.530
_shelx_res_checksum              9806
_shelx_fab_checksum              8272