Crystallography Open Database

Information card for entry 4336331

Preview

Coordinates	4336331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16.67 Cu O5.67 Si0.67
Calculated formula	C24 H16.66 Cu O5.66667 Si0.666667
Title of publication	A "Strongly" Self-Catenated Metal-Organic Framework with the Highest Topological Density among 3,4-Coordinated Nets
Authors of publication	Huiqing Ma; Di Sun; Liangliang Zhang; Rongming Wang; Vladislav A. Blatov; Jie Guo; Daofeng Sun
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10732 - 10734
a	33.4952 ± 0.0007 Å
b	33.4952 ± 0.0007 Å
c	33.4952 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	37579.2 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	209
Hermann-Mauguin space group symbol	F 4 3 2
Hall space group symbol	F 4 2 3
Residual factor for all reflections	0.1429
Residual factor for significantly intense reflections	0.0966
Weighted residual factors for significantly intense reflections	0.2879
Weighted residual factors for all reflections included in the refinement	0.3218
Goodness-of-fit parameter for all reflections included in the refinement	0.951
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179466 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/63.	4336331.cif
102309	2014-02-19	cif/ Adding structures of 4336331 via cif-deposit CGI script.	4336331.cif