Crystallography Open Database

Information card for entry 4336328

Preview

Coordinates	4336328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.5 H25.5 Cu1.5 O7.5
Calculated formula	C39 H21 Cu1.5 O7.5
Title of publication	Metastable Interwoven Mesoporous Metal-Organic Frameworks
Authors of publication	Yabing He; Zhiyong Guo; Shengchang Xiang; Zhangjing Zhang; Wei Zhou; Frank R. Fronczek; Sean Parkin; Stephen T. Hyde; Michael O'Keeffe; Banglin Chen
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11580 - 11584
a	32.99 ± 0.002 Å
b	32.99 ± 0.002 Å
c	32.99 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	35904 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	222
Hermann-Mauguin space group symbol	P n -3 n :2
Hall space group symbol	-P 4a 2bc 3
Residual factor for all reflections	0.1737
Residual factor for significantly intense reflections	0.0805
Weighted residual factors for significantly intense reflections	0.2385
Weighted residual factors for all reflections included in the refinement	0.2846
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4336328.cif
102306	2014-02-19	cif/ Adding structures of 4336328 via cif-deposit CGI script.	4336328.cif