Cationic rhenium(iii) complexes: synthesis, characterization, and reactivity for hydrosilylation of aldehydes.
Pérez, Damaris E; Smeltz, Jessica L.; Sommer, Roger D.; Boyle, Paul D.; Ison, Elon A.; Dalton transactions (Cambridge, England : 2003) 46 (2017) 4609–4616; doi:10.1039/c7dt00271h

data_7042385
_publ_section_title
;
 Cationic rhenium(iii) complexes: synthesis, characterization, and
 reactivity for hydrosilylation of aldehydes.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4609
_journal_page_last               4616
_journal_paper_doi               10.1039/c7dt00271h
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C55 H31 B Cl2 F34 N5 O Re'
_chemical_formula_weight         1691.76
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-01-22 deposited with the CCDC.
2017-03-08 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 94.471(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.777(2)
_cell_length_b                   16.855(4)
_cell_length_c                   36.649(8)
_cell_measurement_reflns_used    9952
_cell_measurement_temperature    110
_cell_measurement_theta_max      27.13
_cell_measurement_theta_min      2.41
_cell_volume                     6021(2)
_computing_cell_refinement       SAINT
_computing_data_collection       Apex2
_computing_data_reduction        SAINT
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_computing_structure_refinement  XL
_computing_structure_solution    XS
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Bruker-Nonius Kappa Axis X8 Apex2'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_sigmaI/netI    0.0700
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_number            97273
_diffrn_reflns_theta_full        30.41
_diffrn_reflns_theta_max         31.64
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    2.259
_exptl_absorpt_correction_T_max  0.8295
_exptl_absorpt_correction_T_min  0.4721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3296
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.571
_refine_diff_density_min         -1.657
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     895
_refine_ls_number_reflns         19314
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0907
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0524P)^2^+8.3576P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1101
_refine_ls_wR_factor_ref         0.1242
_reflns_number_gt                12987
_reflns_number_total             19314
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7dt00271h2.cif
_cod_data_source_block           x12044
_cod_depositor_comments
'Adding full bibliography for 7042384--7042386.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7042385