Crystallography Open Database

Information card for entry 2228546

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Structure parameters

Chemical name	<i>catena</i>-Poly[[trimethyltin(IV)]-μ-2-phenylbutanoato]
Formula	C13 H20 O2 Sn
Calculated formula	C13 H20 O2 Sn
SMILES	[Sn](OC(=O)[C@H](c1ccccc1)CC)(C)(C)(C)[O]=C(O[Sn](C)(C)C)[C@H](c1ccccc1)CC.[Sn](OC(=O)[C@@H](c1ccccc1)CC)(C)(C)(C)[O]=C(O[Sn](C)(C)C)[C@@H](c1ccccc1)CC
Title of publication	<i>catena</i>-Poly[[trimethyltin(IV)]-μ-2-phenylbutanoato]
Authors of publication	Zhang, Baoying; Zhang, Rufen
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	12
Pages of publication	m1627
a	11.0872 ± 0.0012 Å
b	10.0385 ± 0.0009 Å
c	13.2736 ± 0.0015 Å
α	90°
β	103.828 ± 0.001°
γ	90°
Cell volume	1434.5 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0506
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181206 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/85.	2228546.cif 2228546.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2228546.cif 2228546.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2228546.cif 2228546.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2228546.cif 2228546.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2228546.cif 2228546.hkl
11387	2011-02-15	hkl/: Adding Reflection data for the recently deposited IUCr-originating structures.	2228546.cif 2228546.hkl
5798	2011-01-06	../uploads/cif-deposit/cod/cif Adding structures of 2228542, 2228543, 2228544, 2228545, 2228546, 2228547, 2228548, 2228549, 2228550, 2228551 via cif-deposit CGI script.	2228546.cif