Crystallography Open Database

Information card for entry 4500530

Preview

Coordinates	4500530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 Ca5 O30 P4
Calculated formula	C8 Ca5 O30 P4
Title of publication	Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening
Authors of publication	Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	5
Pages of publication	1713
a	29.7116 ± 0.0004 Å
b	8.84842 ± 0.00009 Å
c	11.31039 ± 0.00009 Å
α	90°
β	93.24 ± 0.0008°
γ	90°
Cell volume	2968.76 ± 0.06 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
RFsqd	0.13181
Goodness-of-fit parameter for all reflections	4.02
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.2998 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4500530.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500530.cif
34533	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500529, 4500530, 4500531, 4500532 via cif-deposit CGI script.	4500530.cif