Structural diversity among some dialkyltin(IV) benzoate and related derivatives
Linden, Anthony; Basu Baul, Tushar S.; Acta Crystallographica Section C 77 (2021) 209–220; doi:10.1107/S2053229621003545

data_2022352
_publ_section_title
;
 Structural diversity among some dialkyltin(IV) benzoate and related
 derivatives
;
_journal_coeditor_code           OV3150
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              209
_journal_page_last               220
_journal_paper_doi               10.1107/S2053229621003545
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac
'[Sn (C7 H7)2 (C12 H12 N O3)2 (H2 O)], 2C6 H6'
_chemical_formula_moiety         'C38 H40 N2 O7 Sn, 2(C6 H6)'
_chemical_formula_sum            'C50 H52 N2 O7 Sn'
_chemical_formula_weight         911.62
_chemical_name_systematic
'Aquadibenzylbis(4-{(<i>E</i>)-[(Z)-4-hydroxypent-3-en-2-ylidene]amino}benzoato)tin(IV) benzene disolvate'
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
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_cell_formula_units_Z            4
_cell_length_a                   23.6530(5)
_cell_length_b                   10.1034(2)
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_computing_cell_refinement
;
DENZO-SMN (Otwinowski & Minor, 1997)
;
_computing_data_collection
;
COLLECT (Nonius, 2000)
;
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;
DENZO-SMN and SCALEPACK (Otwinowski & Minor, 1997)
;
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ORTEPII (Johnson, 1976)
;
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SHELXL2018 (Sheldrick, 2015), Mercury (Macrae <i>et al.</i>,
2020) and PLATON
(Spek, 2020)
;
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SHELXL2018 (Sheldrick, 2015)
;
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;
PATTY and DIRDIF94 (Beurskens <i>et al.</i>,  1992, 1994)
;
_diffrn_ambient_temperature      160(2)
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_diffrn_reflns_theta_min         2.183
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;
(SORTAV; Blessing, 1995)
;
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_exptl_crystal_F_000             1888
_exptl_crystal_size_max          0.25
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_refine_diff_density_min         -2.173
_refine_ls_extinction_method     none
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_refine_ls_number_restraints     2
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_refine_ls_R_factor_gt           0.0559
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0943P)^2^+4.7027P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 2022350--2022354.cif.'
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