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Information card for entry 4320053
Preview
Coordinates | 4320053.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H10 O4 Sn |
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Calculated formula | C14 H10 O4 Sn |
SMILES | [Sn]12(OC3=CC=CC=CC3=[O]1)OC1=CC=CC=CC1=[O]2 |
Title of publication | Synthesis and Structural Characterization of Tin(II) and Zinc(II) Derivatives of Cyclic α-Hydroxyketones, Including the Structures of Sn(maltol)2, Sn(tropolone)2, Zn(tropolone)2, and Zn(hinokitiol)2 |
Authors of publication | Marie C Barret; Mary F Mahon; Kieran C Molloy; Jonathan W Steed; Philip Wright |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 4384 - 4388 |
a | 7.4934 ± 0.0007 Å |
b | 7.5027 ± 0.001 Å |
c | 12.026 ± 0.002 Å |
α | 78.14 ± 0.006° |
β | 84.493 ± 0.006° |
γ | 74.096 ± 0.005° |
Cell volume | 635.78 ± 0.15 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1044 |
Residual factor for significantly intense reflections | 0.0987 |
Weighted residual factors for significantly intense reflections | 0.2524 |
Weighted residual factors for all reflections included in the refinement | 0.255 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179303 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/00. |
4320053.cif |
120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320053.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320053.cif |
16898 | 2011-03-29 | ../uploads/cif-deposit/cod/cif Adding structures of 4320053 via cif-deposit CGI script. |
4320053.cif |
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Users of the data should acknowledge the original authors of the
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