Crystallography Open Database

Information card for entry 4511023

Preview

Coordinates	4511023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H10 Ca O8
Calculated formula	C4 H4 Ca O8
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	6.32 ± 0.03 Å
b	7.5 ± 0.02 Å
c	9.06 ± 0.03 Å
α	97.4 ± 0.3°
β	97.2 ± 0.3°
γ	93.24 ± 0.18°
Cell volume	421 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.071
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1818
Weighted residual factors for all reflections included in the refinement	0.1868
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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.	4511023.cif
114666	2014-05-29	cif/ Adding structures of 4511022, 4511023, 4511024 via cif-deposit CGI script.	4511023.cif