Anilido-pyrazole ligand supported germylenes: synthesis, structure, and catalytic <i>N</i>-formylation of amines using CO<sub>2</sub>.
Barik, Jogendrananda; Rit, Arnab; Chemical communications (Cambridge, England) 62 (2026) 4131–4134; doi:10.1039/d5cc07160g

data_7135404
_publ_section_title
;
 Anilido-pyrazole ligand supported germylenes: synthesis, structure, and
 catalytic <i>N</i>-formylation of amines using CO<sub>2</sub>.
;
_journal_issue                   13
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4131
_journal_page_last               4134
_journal_paper_doi               10.1039/d5cc07160g
_journal_volume                  62
_journal_year                    2026
_chemical_formula_sum            'C3.38 H4.92 Ge0.15 N0.62 Si0.31'
_chemical_formula_weight         74.04
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2025-10-21 deposited with the CCDC.	2026-01-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.816(2)
_cell_angle_gamma                90
_cell_formula_units_Z            26
_cell_length_a                   9.2899(5)
_cell_length_b                   13.6579(9)
_cell_length_c                   19.1626(13)
_cell_measurement_reflns_used    3722
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      28.39
_cell_measurement_theta_min      3.74
_cell_volume                     2370.8(3)
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 7.41
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Four-circle Kappa diffractometer'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_av_unetI/netI     0.0197
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            83556
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.307
_diffrn_reflns_theta_min         2.180
_exptl_absorpt_coefficient_mu    1.409
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.348
_exptl_crystal_description       block
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.357
_refine_diff_density_min         -0.344
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     269
_refine_ls_number_reflns         5893
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0239
_refine_ls_R_factor_gt           0.0218
_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^)+(0.0372P)^2^+0.9433P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0630
_refine_ls_wR_factor_ref         0.0640
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5465
_reflns_number_total             5893
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc07160g2.cif
_cod_data_source_block           mo_Jogendra_Pyge_a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7135404
_shelx_shelxl_version_number     2019/1
_shelx_estimated_absorpt_t_min   0.661
_shelx_estimated_absorpt_t_max   0.896
_shelx_res_checksum              52403