Dichloro(η^5^-pentamethylcyclopentadienyl)(pyridine-<i>N</i>)rhodium
Therrien, Bruno; Burrell, Anthony K.; Acta Crystallographica Section E 57 (2001) m259–m260; doi:10.1107/S160053680100736X

data_2200270
_publ_section_title
;
 Dichloro(\h^5^-pentamethylcyclopentadienyl)(pyridine-<i>N</i>)rhodium
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m259
_journal_page_last               m260
_journal_paper_doi               10.1107/S160053680100736X
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Rh Cl2 (C10 H15) (C5 H5 N1)]'
_chemical_formula_moiety         'C15 H20 Cl2 N Rh'
_chemical_formula_sum            'C15 H20 Cl2 N Rh'
_chemical_formula_weight         388.13
_chemical_name_common            RhCl~2~(Cp^*^)(pyridine)
_chemical_name_systematic
;
Dichloro(\h^5^-pentamethylcyclopentadienyl)(pyridine-N)rhodium
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.45(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.1501(14)
_cell_length_b                   13.185(3)
_cell_length_c                   8.4979(17)
_cell_measurement_reflns_used    4203
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      2.50
_cell_volume                     768.3(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SHELXTL (Bruker, 1998)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  SHELXL97
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full .992
_diffrn_measured_fraction_theta_max .992
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0132
_diffrn_reflns_av_sigmaI/netI    .0165
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4626
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         2.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.445
_exptl_absorpt_correction_T_max  .9313
_exptl_absorpt_correction_T_min  .6098
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             392
_exptl_crystal_size_max          .38
_exptl_crystal_size_mid          .06
_exptl_crystal_size_min          .05
_refine_diff_density_max         .421
_refine_diff_density_min         -.403
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     96
_refine_ls_number_reflns         1631
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          .0179
_refine_ls_R_factor_gt           .0165
_refine_ls_shift/su_max          .024
_refine_ls_shift/su_mean         .004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0240P)^2^+0.3726P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0456
_reflns_number_gt                1549
_reflns_number_total             1631
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt6035.cif
_cod_data_source_block           I
_cod_original_cell_volume        768.4(3)
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               2200270
_cod_database_fobs_code          2200270