Crystal structure of (2,3-bis((2R,5R)-2,5-dimethyl-phosphonalyl)maleic anhydride)-(η^4^-norbornadiene)-rhodium(I) tetrafluoroborate, [Rh(C~7~H~8~)(C~16~H~24~O~3~P~2~)][BF~4~]
Holz, Jens; Börner, Armin; Heller, Detlef; Drexler, Hans-Joachim; Zeitschrift für Kristallographie - New Crystal Structures 222 (2007) 463–464; doi:

data_8102188
_publ_section_title
;
Crystal structure of (2,3-bis((2R,5R)-2,5-dimethyl-phosphonalyl)maleic 
anhydride)-(\h^4^-norbornadiene)-rhodium(I) tetrafluoroborate, 
[Rh(C~7~H~8~)(C~16~H~24~O~3~P~2~)][BF~4~]
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              463
_journal_page_last               464
_journal_volume                  222
_journal_year                    2007
_chemical_formula_structural     '[Rh(C7H8)(C16H24O3P2)][BF4]'
_chemical_formula_sum            'C23 H32 B F4 O3 P2 Rh'
_chemical_formula_weight         608.15
_chemical_name_common            '(R)-catASium M-Rh-NBD'
_chemical_name_systematic
; 
(2,3-bis((2R,5R)-2,5-dimethylphosphonalyl)maleic anhydride)-
(\h^4^-norbornadiene)-rhodium(I) tetrafluoroborate  
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.147(2)
_cell_length_b                   13.246(3)
_cell_length_c                   18.827(4)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.26
_cell_measurement_theta_min      1.49
_cell_volume                     2530.5(9)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       STOE-X-AREA
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'XP (Siemens)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Stoe IPDS 2'
_diffrn_measurement_method       omega/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  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0181
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            38897
_diffrn_reflns_theta_full        26.75
_diffrn_reflns_theta_max         26.75
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    0.854
_exptl_absorpt_correction_T_max  0.7968
_exptl_absorpt_correction_T_min  0.6743
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1240
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.819
_refine_diff_density_min         -0.601
_refine_diff_density_rms         0.067
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         5344
_refine_ls_number_restraints     87
_refine_ls_restrained_S_all      1.291
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0252
_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^)+(0.0507P)^2^+0.0070P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0665
_refine_ls_wR_factor_ref         0.0670
_reflns_number_gt                5037
_reflns_number_total             5344
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2110.cff
_cod_data_source_block           ks661abs
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               8102188