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Information card for entry 2022352
Preview
Coordinates | 2022352.cif |
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Structure factors | 2022352.hkl |
Original IUCr paper | HTML |
Chemical name | Aquadibenzylbis(4-{(<i>E</i>)-[(Z)-4-hydroxypent-3-en-2-ylidene]amino}benzoato)tin(IV) benzene disolvate |
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Formula | C50 H52 N2 O7 Sn |
Calculated formula | C38 H40 N2 O7 Sn |
SMILES | [Sn]12([O]=C(O1)c1ccc(N/C(=C\C(=O)C)C)cc1)([O]=C(O2)c1ccc(N/C(=C\C(=O)C)C)cc1)([OH2])(Cc1ccccc1)Cc1ccccc1 |
Title of publication | Structural diversity among some dialkyltin(IV) benzoate and related derivatives |
Authors of publication | Linden, Anthony; Basu Baul, Tushar S. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2021 |
Journal volume | 77 |
Journal issue | 5 |
Pages of publication | 209 - 220 |
a | 23.653 ± 0.0005 Å |
b | 10.1034 ± 0.0002 Å |
c | 20.5952 ± 0.0004 Å |
α | 90° |
β | 115.072 ± 0.0012° |
γ | 90° |
Cell volume | 4458.02 ± 0.16 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0765 |
Residual factor for significantly intense reflections | 0.0559 |
Weighted residual factors for significantly intense reflections | 0.137 |
Weighted residual factors for all reflections included in the refinement | 0.1483 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
266200 (current) | 2021-06-06 | cif/ Updating files of 2022350, 2022351, 2022352, 2022353, 2022354 Original log message: Adding full bibliography for 2022350--2022354.cif. |
2022352.cif 2022352.hkl |
264028 | 2021-04-10 | cif/ hkl/ Adding structures of 2022350, 2022351, 2022352, 2022353, 2022354 via cif-deposit CGI script. |
2022352.cif 2022352.hkl |
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Users of the data should acknowledge the original authors of the
structural data.