Crystallography Open Database

Information card for entry 4500532

Preview

Coordinates	4500532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H10 Ca4 Na2 O27 P4
Calculated formula	C8 H10 Ca4 Na2 O27 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	6.64 ± 0.0007 Å
b	8.7164 ± 0.0009 Å
c	11.5047 ± 0.0012 Å
α	76.174 ± 0.001°
β	89.574 ± 0.001°
γ	75.524 ± 0.001°
Cell volume	625.07 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.194
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
179536 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/05.	4500532.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500532.cif
34533	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500529, 4500530, 4500531, 4500532 via cif-deposit CGI script.	4500532.cif