Bis[1,2-bis(dimethylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']rhodium(I) dichlorido[(1,2,5,6-η)-1,5-cyclooctadiene]rhodium(I)
Block, Michael; Gómez-Ruiz, Santiago; Steinborn, Dirk; Acta Crystallographica Section E 64 (2008) m1405–; doi:10.1107/S1600536808032509

data_2219965
_publ_section_title
;
 Bis[1,2-bis(dimethylphosphino)ethane-\k^2^<i>P</i>,<i>P</i>']rhodium(I)
 dichlorido[(1,2,5,6-\h)-1,5-cyclooctadiene]rhodium(I)
;
_journal_coeditor_code           PV2102
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1405
_journal_paper_doi               10.1107/S1600536808032509
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Rh (C6 H16 P2)2] [Rh Cl2 (C8 H12)]'
_chemical_formula_moiety         'C12 H32 P4 Rh +, C8 H12 Cl2 Rh -'
_chemical_formula_sum            'C20 H44 Cl2 P4 Rh2'
_chemical_formula_weight         685.15
_chemical_name_systematic
;
Bis[1,2-bis(dimethylphosphino)ethane-\k^2^P,P']rhodium(I)
dichlorido[(1,2,5,6-\h)-1,5-cyclooctadiene]rhodium(I)
;
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                71.657(3)
_cell_angle_beta                 80.388(2)
_cell_angle_gamma                68.346(3)
_cell_formula_units_Z            2
_cell_length_a                   10.4972(2)
_cell_length_b                   11.2873(4)
_cell_length_c                   13.0884(4)
_cell_measurement_reflns_used    19365
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      32.5116
_cell_measurement_theta_min      2.7239
_cell_volume                     1365.83(8)
_computing_cell_refinement
;
CrysAlis RED  (Oxford Diffraction, 2008)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2008)
;
_computing_data_reduction
;
CrysAlis RED (Oxford Diffraction, 2008)
;
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.356
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Diffraction CCD Xcalibur S'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            40667
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         2.73
_exptl_absorpt_coefficient_mu    1.645
_exptl_absorpt_correction_T_max  0.720
_exptl_absorpt_correction_T_min  0.648
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2008)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             696
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.061
_refine_diff_density_min         -0.739
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         8309
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0218
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0295P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0509
_refine_ls_wR_factor_ref         0.0521
_reflns_number_gt                6991
_reflns_number_total             8309
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            pv2102.cif
_cod_data_source_block           I
_cod_database_code               2219965
_cod_database_fobs_code          2219965