Crystal structures of 1-(2-(dicyclohexylphosphinophenyl)-pyrol-2- dicyclohexylphosphino-rhodium(I) norborna-2,5-diene tetrafluoroborate tetrahydrofuran hemisolvate, [Rh(C~34~H~51~NP~2~)(C~7~H~8~)][BF~4~] · 0.5C~4~H~8~O, and 1-(2-(dicyclohexylphosphinophenyl)-pyrol-2-dicyclohexyl- phosphino-rhodium(I) (Z,Z)-cycloocta-1,5-diene tetrafluoroborate, [Rh(C~34~H~51~NP~2~)(C~8~H~12~)][BF~4~]
Jackstell, Ralf; Dai, Zhenya; Schmidt, Thomas; Heller, Detlef; Drexler, Hans-Joachim; Zeitschrift für Kristallographie - New Crystal Structures 222 (2007) 458–462; doi:

data_8102179
_publ_section_title
;
Crystal structures of 1-(2-(dicyclohexylphosphinophenyl)-pyrol-2-
dicyclohexylphosphino-rhodium(I) norborna-2,5-diene tetrafluoroborate 
tetrahydrofuran hemisolvate, [Rh(C~34~H~51~NP~2~)(C~7~H~8~)][BF~4~] &#x00B7; 
0.5C~4~H~8~O, and 1-(2-(dicyclohexylphosphinophenyl)-pyrol-2-dicyclohexyl-
phosphino-rhodium(I) (Z,Z)-cycloocta-1,5-diene tetrafluoroborate, 
[Rh(C~34~H~51~NP~2~)(C~8~H~12~)][BF~4~]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              458
_journal_page_last               462
_journal_volume                  222
_journal_year                    2007
_chemical_formula_structural
'[Rh(C34H51NP2)(C7H8)][BF4] &#x00B7; 0.5C4H8O'
_chemical_formula_sum            'C43 H63 B F4 N O0.5 P2 Rh'
_chemical_formula_weight         853.60
_chemical_name_systematic
; 
1-(2-(dicyclohexylphosphinophenyl)pyrol-2-dicyclohexylphosphino-rhodium(I) 
norborna-2,5-diene tetrafluoroborate tetrahydrofuran hemisolvate 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.76(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.341(2)
_cell_length_b                   16.063(3)
_cell_length_c                   27.425(5)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      4
_cell_volume                     4502.4(15)
_computing_cell_refinement       STOE-CELL
_computing_data_collection       STOE-EXPOSE
_computing_data_reduction        STOE-INTEGRATE
_computing_molecular_graphics    'XP (Siemens)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Stoe IPDS I'
_diffrn_measurement_method       phi
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0945
_diffrn_reflns_av_sigmaI/netI    0.1559
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            11957
_diffrn_reflns_theta_full        21.03
_diffrn_reflns_theta_max         21.03
_diffrn_reflns_theta_min         1.97
_diffrn_standards_interval_time  360
_diffrn_standards_number         50-200
_exptl_absorpt_coefficient_mu    0.497
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1792
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.748
_refine_diff_density_min         -1.177
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.886
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     455
_refine_ls_number_reflns         4730
_refine_ls_number_restraints     64
_refine_ls_restrained_S_all      0.901
_refine_ls_R_factor_all          0.1007
_refine_ls_R_factor_gt           0.0596
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0631P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1336
_refine_ls_wR_factor_ref         0.1433
_reflns_number_gt                2750
_reflns_number_total             4730
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2093.cff
_cod_data_source_block           289
_cod_original_sg_symbol_H-M      P12(1)/n1
_cod_original_formula_sum        'C43 H63 B F4 N O0.50 P2 Rh'
_cod_database_code               8102179