Stabilization of bis(chlorogermyliumylidene)s within bifunctional PNNP ligand frameworks and their reactivity studies.
Sahoo, Padmini; Raut, Ravindra K.; Maurya, Devesh; Kumar, Vikas; Rani, Pooja; Gonnade, Rajesh G.; Majumdar, Moumita; Dalton transactions (Cambridge, England : 2003) 48 (2019) 7344–7351; doi:10.1039/c9dt00109c

data_7049286
_publ_section_title
;
 Stabilization of bis(chlorogermyliumylidene)s within bifunctional PNNP
 ligand frameworks and their reactivity studies.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7344
_journal_page_last               7351
_journal_paper_doi               10.1039/c9dt00109c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C23 H23 Cl3 F3 Ge N O3 P S'
_chemical_formula_weight         660.39
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-02-20 deposited with the CCDC.    2019-03-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.808(3)
_cell_angle_gamma                90
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_cell_length_b                   17.6150(9)
_cell_length_c                   14.8147(8)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      66.95
_cell_measurement_theta_min      3.90
_cell_volume                     2821.7(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1023
_diffrn_reflns_av_unetI/netI     0.0829
_diffrn_reflns_Laue_measured_fraction_full 0.973
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_diffrn_reflns_limit_k_min       -21
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_diffrn_reflns_number            16690
_diffrn_reflns_point_group_measured_fraction_full 0.973
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_diffrn_reflns_theta_full        67.221
_diffrn_reflns_theta_max         67.221
_diffrn_reflns_theta_min         3.899
_exptl_absorpt_coefficient_mu    5.730
_exptl_absorpt_correction_T_max  0.564
_exptl_absorpt_correction_T_min  0.271
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_description       block
_exptl_crystal_F_000             1332
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_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.714
_refine_diff_density_min         -1.402
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         4915
_refine_ls_number_restraints     90
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.1094
_refine_ls_R_factor_gt           0.0733
_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^)+(0.0731P)^2^+21.8397P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1698
_refine_ls_wR_factor_ref         0.1893
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3488
_reflns_number_total             4915
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00109c5.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7049285--7049289.cif.'
_cod_database_code               7049286
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              77691