Bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(ethyl)(triphenylphosphine)rhodium(III)
Kettmann, V.; Dunaj-Jurυ co, M.; Steinborn, D.; Ludwig, M.; Acta Crystallographica Section C 50 (1994) 1239–1241; doi:10.1107/S0108270194000107

data_2009969
_publ_section_title
Bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(ethyl)(triphenylphosphine)rhodium(III)
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1239
_journal_page_last               1241
_journal_paper_doi               10.1107/S0108270194000107
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C28 H34 N4 O4 P Rh'
_chemical_formula_weight         624.5
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 105.74(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.707(4)
_cell_length_b                   15.490(10)
_cell_length_c                   10.476(5)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293
_cell_measurement_theta_max      16
_cell_measurement_theta_min      8
_cell_volume                     1359.9(13)
_diffrn_measurement_device       'Syntex P21'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3442
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        <4
_diffrn_standards_interval_time  90
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.71
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.71
_exptl_absorpt_correction_type   'empirical \y scan'
_exptl_crystal_colour            'Brownish yellow'
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_meas      1.53
_exptl_crystal_density_method    ' flotation in CHBr3/cyclohexane'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.96
_refine_diff_density_min         -0.85
_refine_ls_goodness_of_fit_obs   1.42
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     343
_refine_ls_number_reflns         1841
_refine_ls_R_factor_obs          0.052
_refine_ls_shift/esd_max         0.06
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~) + 0.0009(F~o~)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.050
_reflns_number_observed          1841
_reflns_number_total             3256
_reflns_observed_criterion       I>=2\s(I)
_cod_data_source_file            ka1050.cif
_cod_data_source_block           ka1050_structure_1_of_1
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-28

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F~o~) +
0.0009(F~o~)^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(F~o~) + 0.0009(F~o~)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1360(2)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C28 H34 N4 O4 P1 Rh1'
_cod_database_code               2009969