Crystallography Open Database

Information card for entry 4503166

Preview

Coordinates	4503166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 Ca O5
Calculated formula	C14 H8 Ca O5
Title of publication	Hydrothermal Crystallization of Three Calcium-Based Hybrid Solids with 2,6-Naphthalene- or 4,4′-Biphenyl-Dicarboxylates
Authors of publication	Volkringer, Christophe; Marrot, Jérôme; Férey, Gérard; Loiseau, Thierry
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	685
a	5.8237 ± 0.0004 Å
b	6.9339 ± 0.0005 Å
c	14.7231 ± 0.0011 Å
α	90°
β	93.588 ± 0.003°
γ	90°
Cell volume	593.37 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
179562 (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 4/50/31.	4503166.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503166.cif
41394	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503166 via cif-deposit CGI script.	4503166.cif