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_4077657
_publ_section_title
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 Synthesis and Characterization of a Stable Organolead(II)
 Compound:&#x00A0; Bis[2-(N,N-dimethylaminomethyl)ferrocenyl]lead&#x2020;
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_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)  
 ? 
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_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 104.59(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.643(4)
_cell_length_b                   10.994(3)
_cell_length_c                   20.086(6)
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.97
_cell_measurement_theta_min      2.10
_cell_volume                     2488.2(14)
_computing_cell_refinement       STOE-STADI4
_computing_data_collection       STOE-STADI4
_computing_molecular_graphics    Diamond
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_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  0.0611
_diffrn_reflns_av_sigmaI/netI    0.0344
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            22778
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    7.916
_exptl_absorpt_correction_type   numeric
_exptl_crystal_colour            deep-red
_exptl_crystal_density_diffrn    1.846
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          '0.8 mm'
_exptl_crystal_size_mid          '0.6 mm'
_exptl_crystal_size_min          '0.3 mm'
_refine_diff_density_max         1.501
_refine_diff_density_min         -0.613
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         4664
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0268
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0459P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0657
_refine_ls_wR_factor_ref         0.0676
_reflns_number_gt                4130
_reflns_number_total             4664
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om990614g.cif
_cod_data_source_block           polymorph1
_cod_depositor_comments
;
The following automatic conversions were performed:

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

'_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_cell_volume        2488.1(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4077657