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_4075769
_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         'C36 H35 N2 O3 P2 Rh2 Si '
_chemical_formula_sum            'C36 H35 N2 O3 P2 Rh2 Si'
_chemical_formula_weight         839.53
_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                98.98(2)
_cell_angle_beta                 89.908(7)
_cell_angle_gamma                65.347(4)
_cell_formula_units_Z            4
_cell_length_a                   17.660(4)
_cell_length_b                   19.519(4)
_cell_length_c                   11.385(2)
_cell_measurement_reflns_used    13215
_cell_measurement_temperature    213.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.3
_cell_volume                     3513.3(13)
_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       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            21956
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.100
_exptl_absorpt_correction_T_max  0.896
_exptl_absorpt_correction_T_min  0.621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         5.06
_refine_diff_density_min         -2.30
_refine_ls_extinction_coef       0.0000
_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   1.540
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     825
_refine_ls_number_reflns         8728
_refine_ls_R_factor_gt           0.1033
_refine_ls_shift/su_max          -0.0710
_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         0.2692
_reflns_number_gt                8728
_reflns_number_total             13506
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            om049427vsi20040726_024341.cif
_cod_data_source_block           compound_2b
_cod_original_cell_volume        3513(1)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C36 H35 N2 O3 P2 Rh2 Si '
_cod_database_code               4075769