Crystallography Open Database

Information card for entry 4311526

Preview

Coordinates	4311526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H7 Cu N2 O8 Re
Calculated formula	C5 H7 Cu N2 O8 Re
Title of publication	Synthesis and Characterization of ReO4-Containing Microporous and Open Framework Structures
Authors of publication	Junhua Luo; Ben Alexander; Timothy R. Wagner; Paul A. Maggard
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	5537 - 5542
a	8.5878 ± 0.0009 Å
b	12.9197 ± 0.0013 Å
c	9.7408 ± 0.001 Å
α	90°
β	92.83 ± 0.002°
γ	90°
Cell volume	1079.44 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.021
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0525
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179154 (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 4/31/15.	4311526.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311526.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311526.cif
3025	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311526 via cif-deposit CGI script.	4311526.cif