A novel coordination mode for a phospholyl ligand: μ-phosphindolyl-κ^2^<i>P</i>:<i>P</i>-μ-1-phenyl-phosphindolyl-κ^2^<i>C</i>^2^:<i>P</i>-bis[tetracarbonylmanganese(I)]
Andreas Decken; Wilkins, Brianne E.; Bottomley, Frank; Acta Crystallographica Section E 60 (2004) m1985–m1986; doi:10.1107/S1600536804030892

data_2204622
_publ_section_title
;A novel coordination mode for a phospholyl ligand:
 \m-phosphindolyl-\k^2^<i>P</i>:<i>P</i>-\m-1-phenyl-phosphindolyl-\k^2^<i>C</i>^2^:<i>P</i>-bis[tetracarbonylmanganese(I)]
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1985
_journal_page_last               m1986
_journal_paper_doi               10.1107/S1600536804030892
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Mn2 (C8 H6 P) (C14 H11 P) (C O)8]'
_chemical_formula_moiety         'C30 H16 Mn2 O8 P2'
_chemical_formula_sum            'C30 H16 Mn2 O8 P2'
_chemical_formula_weight         676.25
_chemical_name_systematic
;
(\m~2~-phosphindolyl)(\m~2~-1-phenyl-phosphind-2-yl-C,P)bis(manganese-
tetracarbonyl)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 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                 100.368(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.681(2)
_cell_length_b                   9.8850(9)
_cell_length_c                   28.440(2)
_cell_measurement_reflns_used    4864
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.475
_cell_measurement_theta_min      2.184
_cell_volume                     5719.1(9)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1997--1999)'
_computing_data_reduction        'SAINT (Bruker, 1997--2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997a)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997b)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997b)'
_diffrn_ambient_temperature      173.0(10)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0669
_diffrn_reflns_av_sigmaI/netI    0.0972
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            18319
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.46
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.046
_exptl_absorpt_correction_T_max  0.903
_exptl_absorpt_correction_T_min  0.765
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1997a)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Irregular
_exptl_crystal_F_000             2720
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.213
_refine_diff_density_min         -0.512
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5036
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.1235
_refine_ls_R_factor_gt           0.0723
_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^)+(0.097P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1690
_refine_ls_wR_factor_ref         0.1811
_reflns_number_gt                2916
_reflns_number_total             5036
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bv6005.cif
_cod_data_source_block           I
_cod_original_cell_volume        5719.2(9)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2204622
_cod_database_fobs_code          2204622