Synthesis and Characterization of a Stable Organolead(II) Compound: Bis[2-(N,N-dimethylaminomethyl)ferrocenyl]lead†
Seidel, Naka; Jacob, Klaus; van der Zeijden, Adolphus A. H.; Menge, Heike; Merzweiler, Kurt; Wagner, Christoph; Organometallics 19 (2000) 1438–; doi:10.1021/om990614g

data_4077658
_publ_section_title
;
 Synthesis and Characterization of a Stable Organolead(II)
 Compound:&#x00A0; Bis[2-(N,N-dimethylaminomethyl)ferrocenyl]lead&#x2020;
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1438
_journal_paper_doi               10.1021/om990614g
_journal_volume                  19
_journal_year                    2000
_chemical_formula_moiety         '[(C5H5)Fe(C5H3CH2NMe2)]2Pb'
_chemical_formula_sum            'C26 H32 Fe2 N2 Pb'
_chemical_formula_weight         691.43
_chemical_melting_point          396
_chemical_name_common            '[2-(dimethylaminomethyl)ferrocenyl]lead(II)'
_chemical_name_systematic
;[2-(dimethylaminomethyl)ferrocenyl)]lead(II)  
 ? 
;
_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                 103.95(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.239(5)
_cell_length_b                   10.6280(19)
_cell_length_c                   24.756(6)
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26.07
_cell_measurement_theta_min      2.18
_cell_volume                     4913(2)
_computing_cell_refinement       STOE-STADI4
_computing_data_collection       STOE-STADI4
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7103
_diffrn_reflns_av_R_equivalents  0.0685
_diffrn_reflns_av_sigmaI/netI    0.0484
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            16388
_diffrn_reflns_theta_full        26.07
_diffrn_reflns_theta_max         26.07
_diffrn_reflns_theta_min         2.18
_exptl_absorpt_coefficient_mu    8.018
_exptl_absorpt_correction_type   numeric
_exptl_crystal_colour            deep-red
_exptl_crystal_density_diffrn    1.870
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2688
_exptl_crystal_size_max          '0.4 mm'
_exptl_crystal_size_mid          '0.3 mm'
_exptl_crystal_size_min          '0.1 mm'
_refine_diff_density_max         1.049
_refine_diff_density_min         -1.680
_refine_diff_density_rms         0.251
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         4773
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0290
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0388P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0692
_refine_ls_wR_factor_ref         0.0723
_reflns_number_gt                4009
_reflns_number_total             4773
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om990614g.cif
_cod_data_source_block           polymorph2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_ambient_temperature' value '193(2) K' was changed to
'193(2)' - the value should be numeric and without a unit
designator.

'_chemical_melting_point' value '396 K' was changed to
'396' - the value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4077658