Oxidative Additions of Homoleptic Tin(II) Amidinate
Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Alonso, Mercedes; De Proft, Frank; Kampová, Hana; Brus, Jiří; Růžička, Aleš; Organometallics 34 (2015) 606–; doi:10.1021/om501074m

data_4085342
_publ_section_title
;
 Oxidative Additions of Homoleptic Tin(II) Amidinate
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              606
_journal_paper_doi               10.1021/om501074m
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C68 H124 N8 O2 Sn2, 4 (C6 H14)'
_chemical_formula_sum            'C92 H155 N8 O2 Sn2'
_chemical_formula_weight         1642.61
_chemical_name_systematic
;
 ?
;
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_space_group_name_Hall           'P 2 2ab'
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_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
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_cell_angle_alpha                90.000(7)
_cell_angle_beta                 90.000(9)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
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_cell_length_b                   33.1790(12)
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_cell_measurement_reflns_used    62469
_cell_measurement_temperature    150(1)
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'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
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_computing_molecular_graphics    'PLATON (Spek, 2003)'
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_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker Nonius KappaCCD area detector'
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.0875
_diffrn_reflns_av_unetI/netI     0.0625
_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_point_group_measured_fraction_full 0.996
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_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         1.768
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_exptl_absorpt_coefficient_mu    0.591
_exptl_absorpt_correction_T_max  0.899
_exptl_absorpt_correction_T_min  0.772
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            colourless
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_exptl_crystal_description       block
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_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.722
_refine_diff_density_min         -2.683
_refine_diff_density_rms         0.175
_refine_ls_abs_structure_details
;
 Refined as a perfect inversion twin.
;
_refine_ls_abs_structure_Flack   0.5
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         20212
_refine_ls_number_restraints     55
_refine_ls_restrained_S_all      1.141
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0831
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0598P)^2^+69.4451P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1983
_refine_ls_wR_factor_ref         0.2025
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_reflns_Friedel_fraction_max     0.993
_reflns_number_gt                19018
_reflns_number_total             20212
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om501074m_si_001.cif
_cod_data_source_block           tch130430Sn1FINFIN
_cod_depositor_comments
'Adding full bibliography for 4085339--4085346.cif.'
_cod_original_cell_volume        9199(3)
_cod_database_code               4085342