{4-t-Bu-2,6-[P(O)(O-i-Pr)2]2C6H2Sn}2: An Intramolecularly Coordinated Organotin(I) Compound with a Sn-Sn Single Bond, Its Disproportionation toward a Diorganostannylene and Elemental Tin, and Its Oxidation with PhI(OAc)2
Michael Wagner; Christina Dietz; Stefan Krabbe; Stephan G. Koller; Carsten Strohmann; Klaus Jurkschat; Inorganic Chemistry 51 (2012) 6851–6859; doi:10.1021/ic3005954

data_4329511
_publ_contact_author_address
;Lehrstuhl f\"ur Anorganische Chemie II
Technische Universit\"at Dortmund
44221 Dortmund
Germany
;
_publ_contact_author_email       klaus.jurkschat@tu-dortmund.de
_publ_contact_author_name        'Klaus Jurkschat'
_publ_section_title
;
 {4-t-Bu-2,6-[P(O)(O-i-Pr)2]2C6H2Sn}2: An Intramolecularly Coordinated
 Organotin(I) Compound with a Sn-Sn Single Bond, Its Disproportionation
 toward a Diorganostannylene and Elemental Tin, and Its Oxidation with
 PhI(OAc)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6851
_journal_page_last               6859
_journal_paper_doi               10.1021/ic3005954
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C44 H78 O12 P4 Sn, C7 H8'
_chemical_formula_sum            'C51 H86 O12 P4 Sn'
_chemical_formula_weight         1133.77
_chemical_name_systematic
; 
Bis-{[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyl}tin(II) 
;
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_computing_cell_refinement
"'CrysAlis CCD, Oxford Diffraction Ltd., Version 1.171.32.37'"
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"'CrysAlis CCD, Oxford Diffraction Ltd., Version 1.171.32.37'"
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"'CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.32.37'"
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_diffrn_ambient_temperature      173(2)
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_diffrn_measurement_device       'XcaliburS CCD Diffractometer'
_diffrn_measurement_method       '\w und \y scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
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_exptl_absorpt_correction_type   multi-scan
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;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
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_exptl_crystal_description       column
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_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_platon_squeeze_details
;
;
_refine_diff_density_max         0.335
_refine_diff_density_min         -0.255
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.824
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         5385
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.824
_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_gt           0.0238
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0472P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0660
_reflns_number_gt                4245
_reflns_number_total             5385
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3005954_si_002_4.cif
_cod_data_source_block           compound3*toluene
_cod_original_cell_volume        5779.9(3)
_cod_database_code               4329511