<i>trans</i>-Dichlorooxo(2-propoxido)bis(triphenylphosphine)rhenium(V)
Abram, S.; Abram, U.; Schulz-Lang, E.; Strähle, J.; Acta Crystallographica Section C 51 (1995) 1078–1080; doi:10.1107/S0108270194013314

data_2003572
_publ_section_title
;
 <i>trans</i>-Dichlorooxo(2-propoxido)bis(triphenylphosphine)rhenium(V)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1078
_journal_page_last               1080
_journal_paper_doi               10.1107/S0108270194013314
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C39 H37 Cl2 O2 P2 Re1'
_chemical_formula_sum            'C39 H37 Cl2 O2 P2 Re'
_chemical_formula_weight         856.73
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                109.71(2)
_cell_angle_beta                 99.13(3)
_cell_angle_gamma                105.90(3)
_cell_formula_units_Z            2
_cell_length_a                   9.594(5)
_cell_length_b                   12.430(5)
_cell_length_c                   16.893(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      14
_cell_measurement_theta_min      8
_cell_volume                     1752.4(16)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0164
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       1
_diffrn_reflns_number            8360
_diffrn_reflns_theta_max         27
_diffrn_standards_decay_%        2.3
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.754
_exptl_absorpt_correction_T_max  0.9996
_exptl_absorpt_correction_T_min  0.8959
_exptl_absorpt_correction_type   'empirical via \y scan'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_description       column
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.685
_refine_diff_density_min         -0.638
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.108
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     535
_refine_ls_number_reflns         7580
_refine_ls_R_factor_obs          0.0207
_refine_ls_shift/esd_max         0.000
_refine_ls_structure_factor_coef F^2^
_refine_ls_weighting_scheme
;
w = 1/[\s^2^(F~o~^2^) + (0.0282P)^2^ + 0.8269P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_obs         0.0509
_reflns_number_observed          7115
_reflns_number_total             7580
_reflns_observed_criterion       I>=2\s(I)
_cod_data_source_file            jz1019.cif
_cod_data_source_block           jz1019a
_cod_original_cell_volume        1753(2)
_cod_original_formula_sum        'C39 H37 Cl2 O2 P2 Re1'
_cod_database_code               2003572