Synthesis of a rhodium(i) germyl complex: a useful tool for C-H and C-F bond activation reactions.
Ahrens, Theresia; Ahrens, Mike; Braun, Thomas; Braun, Beatrice; Herrmann, Roy; Dalton transactions (Cambridge, England : 2003) 45 (2016) 4716–4728; doi:10.1039/c5dt04845a

data_7038365
_publ_section_title
;
 Synthesis of a rhodium(i) germyl complex: a useful tool for C-H and C-F
 bond activation reactions.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4716
_journal_page_last               4728
_journal_paper_doi               10.1039/c5dt04845a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C36 H62 Ge P3 Rh'
_chemical_formula_sum            'C36 H62 Ge P3 Rh'
_chemical_formula_weight         763.26
_chemical_name_systematic
;
 ?
;
_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   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-11-23 deposited with the CCDC.
2016-02-02 downloaded from the CCDC.
;
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_cell_angle_beta                 97.339(6)
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_cell_formula_units_Z            12
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_cell_measurement_reflns_used    9905
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_cell_volume                     11248(3)
_computing_cell_refinement       'Bruker SAINT'
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_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1079
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_l_max       42
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_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         41.232
_diffrn_reflns_theta_min         2.128
_exptl_absorpt_coefficient_mu    1.393
_exptl_absorpt_correction_T_max  0.7481
_exptl_absorpt_correction_T_min  0.6139
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
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_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.360
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     1159
_refine_ls_number_reflns         74954
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.1140
_refine_ls_R_factor_gt           0.0526
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0289P)^2^+8.4068P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0960
_reflns_Friedel_coverage         0.000
_reflns_number_gt                47292
_reflns_number_total             74954
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt04845a2.cif
_cod_data_source_block           ta59h2_complex2
_cod_depositor_comments
'Adding full bibliography for 7038365--7038369.cif.'
_cod_database_code               7038365
_shelx_estimated_absorpt_t_min   0.543
_shelx_estimated_absorpt_t_max   0.649
_shelxl_version_number           2013-4
_shelx_res_checksum              43809