Crystallography Open Database

Information card for entry 4511024

Preview

Coordinates	4511024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 O10 Sr
Calculated formula	C8 H12 O10 Sr
SMILES	C(=O)([O-])[C@H]([C@H](C(=O)[O-])CC(=O)O)CC(=O)O.[Sr+2].O.O
Title of publication	Novel calcium carboxyphosphonate/polycarboxylate inorganic-organic hybrid materials from demineralization of calcitic biomineral surfaces.
Authors of publication	Demadis, Konstantinos D.; Anagnostou, Zafeiria; Zhao, Hong
Journal of publication	ACS applied materials & interfaces
Year of publication	2009
Journal volume	1
Journal issue	1
Pages of publication	35 - 38
a	11.286 ± 0.003 Å
b	9.1194 ± 0.0017 Å
c	11.107 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1143.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
179657 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/10.	4511024.cif
114666	2014-05-29	cif/ Adding structures of 4511022, 4511023, 4511024 via cif-deposit CGI script.	4511024.cif