Crystallography Open Database

Information card for entry 4324418

Preview

Coordinates	4324418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 O16 P2 S2 Sn3
Calculated formula	C16 H32 O16 P2 S2 Sn3
SMILES	P12(=[O][Sn](C)(C)(OP(CCC(=O)OC)(=[O][Sn](O1)(OS(=O)(C)=O)(C)C)O[Sn](C)(C)O2)OS(=O)(C)=O)CCC(=O)OC
Title of publication	Diorganotin-Based Coordination Polymers Derived from Sulfonate/Phosphonate/Phosphonocarboxylate Ligands
Authors of publication	Ravi Shankar; Archana Jain; Gabriele Kociok-Köhn; Kieran C. Molloy
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1339 - 1350
a	10.6136 ± 0.0001 Å
b	10.6136 ± 0.0001 Å
c	28.7211 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3235.39 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	91
Hermann-Mauguin space group symbol	P 41 2 2
Hall space group symbol	P 4w 2c
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179347 (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 4/32/44.	4324418.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324418.cif
41126	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324418 via cif-deposit CGI script.	4324418.cif