Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]
Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka; Organometallics 24 (2005) 163–; doi:10.1021/om049427v

data_4075770
_publ_section_title
;
 Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand:&#x00A0;
 Dynamic and Diverse M&#x00B7;&#x00B7;&#x00B7;M Interactions in
 [(\m-X)Rh2(PNNP)(CO)2]n+and [(\m4-X)Rh4(PNNP)2(CO)4]n+[X = H, O,
 C&#x22EE;C&#x2212;R, R&#x2212;C&#x22EE;C&#x2212;R, C&#x22EE;C, CHCH2,
 SMe2;n= 0, 1:&#x00A0; PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              163
_journal_paper_doi               10.1021/om049427v
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C37 H34 N2 O2 P2 Rh2 '
_chemical_formula_sum            'C37 H34 N2 O2 P2 Rh2'
_chemical_formula_weight         806.45
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.166(3)
_cell_angle_beta                 113.280(5)
_cell_angle_gamma                70.131(2)
_cell_formula_units_Z            2
_cell_length_a                   12.826(1)
_cell_length_b                   13.777(2)
_cell_length_c                   12.640(1)
_cell_measurement_reflns_used    5432
_cell_measurement_temperature    213.2
_cell_measurement_theta_max      55.0
_cell_measurement_theta_min      4.2
_cell_volume                     1913.7(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SHELXS86
_diffrn_detector_area_resol_mean 10.00
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7924
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.975
_exptl_absorpt_correction_T_max  0.907
_exptl_absorpt_correction_T_min  0.619
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.88
_refine_diff_density_min         -0.81
_refine_ls_extinction_coef       0.0111
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.185
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     407
_refine_ls_number_reflns         4890
_refine_ls_R_factor_gt           0.0710
_refine_ls_shift/su_max          -0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2193
_reflns_number_gt                4890
_reflns_number_total             7924
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            om049427vsi20040726_024341.cif
_cod_data_source_block           compound_2c
_cod_original_cell_volume        1913.8(4)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C37 H34 N2 O2 P2 Rh2 '
_cod_database_code               4075770