Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions
Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.; Organometallics 25 (2006) 5276–; doi:10.1021/om0604425

data_4074157
_publ_section_title
;
 Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in
 the Self-Assembly of the Organometallic Building Block
 [(\h6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5276
_journal_paper_doi               10.1021/om0604425
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C48 H40 B F4 O8 P2 Rh'
_chemical_formula_weight         996.46
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 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                 105.502(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.960(5)
_cell_length_b                   11.306(3)
_cell_length_c                   23.267(7)
_cell_measurement_temperature    100(2)
_cell_volume                     4553(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.2268
_diffrn_reflns_av_sigmaI/netI    0.2103
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            35882
_diffrn_reflns_theta_full        23.25
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.515
_exptl_absorpt_correction_T_max  0.9489
_exptl_absorpt_correction_T_min  0.9314
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2032
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.077
_refine_diff_density_min         -1.365
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     618
_refine_ls_number_reflns         6529
_refine_ls_number_restraints     730
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.1886
_refine_ls_R_factor_gt           0.1212
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1443P)^2^+16.7839P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2917
_refine_ls_wR_factor_ref         0.3183
_reflns_number_gt                3434
_reflns_number_total             6529
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0604425si20060816_092107.cif
_cod_data_source_block           ss44
_cod_database_code               4074157