<i>catena</i>-Poly[[tricarbonyl-1κ^3^<i>C</i>-(1η^5^-cyclopentadienyl)lead(II)molybdenum(0)](<i>Mo</i>—<i>Pb</i>)-μ~3~-acetato-2':2:2''κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>']
Gerdes, Eberhard; Merzweiler, Kurt; Acta Crystallographica Section E 68 (2012) m869–; doi:10.1107/S1600536812024737

data_2235667
_publ_section_title
;
 <i>catena</i>-Poly[[tricarbonyl-1\k^3^<i>C</i>-(1\h^5^-cyclopentadienyl)lead(II)molybdenum(0)](<i>Mo</i>---<i>Pb</i>)-\m~3~-acetato-2':2:2''\k^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>']
;
_journal_coeditor_code           WM2639
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m869
_journal_paper_doi               10.1107/S1600536812024737
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Mo Pb (C5 H5) (C2 H3 O2) (C O)3]'
_chemical_formula_moiety         'C10 H8 Mo O5 Pb'
_chemical_formula_sum            'C10 H8 Mo O5 Pb'
_chemical_formula_weight         511.29
_chemical_name_systematic
;
<i>catena</i>-Poly[[tricarbonyl-1\k^3^<i>C</i>-(1\h^5^-
cyclopentadienyl)lead(II)molybdenum(0)](<i>Mo</i>---<i>Pb</i>)-\m~3~-acetato-
2':2:2''\k^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>']
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 98.660(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.4813(6)
_cell_length_b                   14.9431(12)
_cell_length_c                   11.3323(9)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      25.9
_cell_measurement_theta_min      2.3
_cell_volume                     1252.44(18)
_computing_cell_refinement
'<i>IPDS Program Package</i> (Stoe & Cie, 1999)'
_computing_data_collection
'<i>IPDS Program Package</i> (Stoe & Cie, 1999)'
_computing_data_reduction
'<i>IPDS Program Package</i> (Stoe & Cie, 1999)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2009)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Stoe IPDS I'
_diffrn_measurement_method       '\f oscillation'
_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  0.0660
_diffrn_reflns_av_sigmaI/netI    0.0432
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9600
_diffrn_reflns_theta_full        25.91
_diffrn_reflns_theta_max         25.91
_diffrn_reflns_theta_min         2.27
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    14.430
_exptl_absorpt_correction_T_max  0.2625
_exptl_absorpt_correction_T_min  0.1117
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'(<i>IPDS Program Package</i>; Stoe & Cie, 1999)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.712
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             928
_exptl_crystal_size_max          .19
_exptl_crystal_size_mid          .19
_exptl_crystal_size_min          .08
_refine_diff_density_max         1.291
_refine_diff_density_min         -1.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     154
_refine_ls_number_reflns         2417
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0242
_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^)+(0.0275P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0548
_refine_ls_wR_factor_ref         0.0562
_reflns_number_gt                2130
_reflns_number_total             2417
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            wm2639.cif
_cod_data_source_block           I
_cod_original_cell_volume        1252.44(17)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2235667
_cod_database_fobs_code          2235667