Crystallography Open Database

Information card for entry 4109632

Preview

Coordinates	4109632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 Cu O7
Calculated formula	C9 H12 Cu O7
Title of publication	Probing the Lewis Acid Sites and CO Catalytic Oxidation Activity of the Porous Metal-Organic Polymer [Cu(5-methylisophthalate)]
Authors of publication	Ru-Qiang Zou; Hiroaki Sakurai; Song Han; Rui-Qin Zhong; Qiang Xu
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8402 - 8403
a	19.0403 ± 0.0007 Å
b	19.0403 ± 0.0007 Å
c	6.8527 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2484.33 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1387
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178842 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/96.	4109632.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109632.cif
58409	2012-05-28	cif/ Adding structures of 4109632 via cif-deposit CGI script.	4109632.cif