Carbon Dioxide Fixation by an Unprecedented Hydroxo Lead−Chromium Carbonyl Complex: Synthesis, Reactivity, and Theoretical Calculations
Hsu, Miao-Hsing; Chen, Rung-Tsang; Sheu, Wen-Shyan; Shieh, Minghuey; Inorganic Chemistry 45 (2006) 6740–6747; doi:10.1021/ic060554o

data_4332608
_publ_section_title
;
 Carbon Dioxide Fixation by an Unprecedented Hydroxo Lead&#x2212;Chromium
 Carbonyl Complex:&#x00A0; Synthesis, Reactivity, and Theoretical
 Calculations
;
_journal_issue                   17
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6740
_journal_page_last               6747
_journal_paper_doi               10.1021/ic060554o
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C46 H46 Cr4 N2 O22 Pb2'
_chemical_formula_sum            'C46 H46 Cr4 N2 O22 Pb2'
_chemical_formula_weight         1601.26
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                83.05(3)
_cell_angle_beta                 78.77(3)
_cell_angle_gamma                69.06(4)
_cell_formula_units_Z            1
_cell_length_a                   10.283(6)
_cell_length_b                   12.198(3)
_cell_length_c                   12.236(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      15.49
_cell_measurement_theta_min      11.43
_cell_volume                     1403.8(11)
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Enraf Nonius TurboCAD4'
_diffrn_measurement_method       'non-profiled omega/2theta scans'
_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  0.0167
_diffrn_reflns_av_sigmaI/netI    0.0247
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5186
_diffrn_reflns_theta_full        24.92
_diffrn_reflns_theta_max         24.92
_diffrn_reflns_theta_min         1.70
_diffrn_standards_decay_%        4
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.798
_exptl_absorpt_correction_T_max  0.1586
_exptl_absorpt_correction_T_min  0.0856
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
 ?
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.894
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.27
_refine_diff_density_max         2.898
_refine_diff_density_min         -1.408
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    fixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         4933
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0333
_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^)+(0.0571P)^2^+1.5854P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.0907
_reflns_number_gt                4393
_reflns_number_total             4933
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060554osup1.cif
_cod_data_source_block           '[TEBA]2[1]'
_cod_original_cell_volume        1403.8(10)
_cod_database_code               4332608