Crystallography Open Database

Information card for entry 4511022

Preview

Coordinates	4511022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H9 Ca O7 P
Calculated formula	C3 H9 Ca O7 P
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	5.5362 ± 0.0006 Å
b	18.135 ± 0.004 Å
c	7.915 ± 0.002 Å
α	90°
β	95.013 ± 0.017°
γ	90°
Cell volume	791.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0278
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0702
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	4511022.cif
114666	2014-05-29	cif/ Adding structures of 4511022, 4511023, 4511024 via cif-deposit CGI script.	4511022.cif