Reactions of C,N-chelated Tin(II) and Lead(II) Compounds with Zirconocene Dichloride Derivatives
Bareš, Josef; Richard, Philippe; Meunier, Philippe; Pirio, Nadine; Padělková, Zdeňka; Černošek, Zdeněk; Císařová, Ivana; Růžička, Aleš; Organometallics 28 (2009) 3105–; doi:10.1021/om801120a

data_4068832
_publ_section_title
;
 Reactions of C,N-chelated Tin(II) and Lead(II) Compounds with Zirconocene
 Dichloride Derivatives
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              3105
_journal_paper_doi               10.1021/om801120a
_journal_volume                  28
_journal_year                    2009
_chemical_compound_source        'synthesized by the authors'
_chemical_formula_moiety         'C46 H58 N4 Sn2 Zr, C4 H10 O'
_chemical_formula_sum            'C50 H68 N4 O Sn2 Zr'
_chemical_formula_weight         1069.68
_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                86.818(5)
_cell_angle_beta                 87.759(6)
_cell_angle_gamma                73.511(5)
_cell_formula_units_Z            2
_cell_length_a                   10.5104(6)
_cell_length_b                   11.8483(7)
_cell_length_c                   20.4351(17)
_cell_measurement_reflns_used    10297
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.5
_cell_measurement_theta_min      2.5
_cell_volume                     2435.6(3)
_computing_cell_refinement
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.29.2a (release 23-01-2006 CrysAlis171 .NET)
(compiled Feb  1 2006,14:41:00)
;
_computing_data_collection
;
 CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.29.2a (release 23-01-2006 CrysAlis171 .NET)
(compiled Feb  1 2006,14:41:00)
;
_computing_data_reduction
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.29.2a (release 23-01-2006 CrysAlis171 .NET)
(compiled Feb  1 2006,14:41:00)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.343
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'KM4 CCD'
_diffrn_measurement_method       '\f and \w scans to fill the Ewald sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0940
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            27986
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.55
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.266
_exptl_absorpt_correction_T_max  0.949
_exptl_absorpt_correction_T_min  0.807
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.29.8 (release 17-03-2006 CrysAlis171 .NET)
(compiled Mar 17 2006,10:57:34)
Analytical numeric absorption correction using a multifaceted crystal
                model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.123
_exptl_crystal_size_mid          0.026
_exptl_crystal_size_min          0.017
_refine_diff_density_max         0.990
_refine_diff_density_min         -0.428
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.802
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     533
_refine_ls_number_reflns         9526
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.802
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0265
_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^)+(0.0146P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0414
_refine_ls_wR_factor_ref         0.0434
_reflns_number_gt                5952
_reflns_number_total             9526
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om801120a_si_001.cif
_cod_data_source_block           cp2zrii_Cpd._4
_cod_database_code               4068832