Crystallography Open Database

Information card for entry 4316399

Preview

Coordinates	4316399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Na O12 Y
Calculated formula	C12 H12 Na O12 Y
Title of publication	Metal Organic Frameworks Assembled from Y(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates
Authors of publication	Zakariae Amghouz; Laura Roces; Santiago García-Granda; José R. García; Badredine Souhail; Luís Mafra; Fa-nian Shi; João Rocha
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	7917 - 7926
a	6.8854 ± 0.0002 Å
b	30.3859 ± 0.0007 Å
c	7.4741 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1563.72 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179243 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/63.	4316399.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316399.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316399.cif
9595	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316399 via cif-deposit CGI script.	4316399.cif