Structure of <i>trans</i>-carbonyl(thiocyanato-<i>N</i>)bis(triethylphosphine)rhodium(I)
Blake, A. J.; Ebsworth, E. A. V.; Watson, P. G.; Acta Crystallographica Section C 49 (1993) 1773–1775; doi:10.1107/S0108270193002926

data_2016903
_publ_section_title
;
 Structure of
 <i>trans</i>-carbonyl(thiocyanato-<i>N</i>)bis(triethylphosphine)rhodium(I)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1773
_journal_page_last               1775
_journal_paper_doi               10.1107/S0108270193002926
_journal_volume                  49
_journal_year                    1993
_chemical_compound_source
;
metathesis of [RhCl(PEt~3~)~2~(CO)] with KNCS in acetone;
 crystals from hot petroleum ether
;
_chemical_formula_sum            'C14 H30 N O P2 Rh S'
_chemical_formula_weight         425.3
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source
; 
Cromer & Mann (1968) for Rh, others inlaid in SHELX76
;
_cell_angle_alpha                90.
_cell_angle_beta                 117.899(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   13.402(2)
_cell_length_b                   12.0313(17)
_cell_length_c                   13.983(2)
_cell_measurement_reflns_used    31
_cell_measurement_temperature    298
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      17.5
_cell_volume                     1992.6(5)
_diffrn_measurement_device       'Stoe STADI-4 four-circle'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.014
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1725
_diffrn_reflns_theta_max         60
_diffrn_standards_decay_%        'no significant variation'
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.576
_exptl_absorpt_correction_T_max  0.2938
_exptl_absorpt_correction_T_min  0.1708
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_description       Column
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.79
_refine_diff_density_min         -0.90
_refine_ls_extinction_coef       0.00000017(5)
_refine_ls_extinction_method     'secondary, isotropic'
_refine_ls_goodness_of_fit_obs   1.247
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     59
_refine_ls_number_reflns         1149
_refine_ls_R_factor_obs          0.0527
_refine_ls_shift/esd_max         0.005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s^2^(F) + 0.000315F^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0750
_reflns_number_observed          1149
_reflns_number_total             1297
_reflns_observed_criterion       F>=6\s(F)
_cod_data_source_file            ha1042.cif
_cod_data_source_block           ha1042_structure_1_of_1
_cod_original_cell_volume        1992.7
_cod_original_formula_sum        'C14 H30 N1 O1 P2 Rh1 S1'
_cod_database_code               2016903