Crystallography Open Database

Information card for entry 7211347

Preview

Coordinates	7211347.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ca(H2alend).H2O
Formula	C4 H13 Ca N O8 P2
Calculated formula	C4 H11 Ca N O8 P2
Title of publication	A biocompatible calcium bisphosphonate coordination polymer: towards a metal-linker synergistic therapeutic effect?
Authors of publication	Alvarez, Elsa; Marquez, Alfonso Garcia; Devic, Thomas; Steunou, Nathalie; Serre, Christian; Bonhomme, Christian; Gervais, Christel; Izquierdo-Barba, Isabel; Vallet-Regi, Maria; Laurencin, Danielle; Mauri, Francesco; Horcajada, Patricia
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	46
Pages of publication	9899
a	5.832 ± 0.001 Å
b	13.649 ± 0.002 Å
c	13.79 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1097.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1139
Residual factor for significantly intense reflections	0.094
Weighted residual factors for significantly intense reflections	0.235
Weighted residual factors for all reflections included in the refinement	0.2476
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
180444 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/13.	7211347.cif
91434	2013-12-13	cif/ Adding structures of 7211347 via cif-deposit CGI script.	7211347.cif