Crystallography Open Database

Information card for entry 7029195

Preview

Coordinates	7029195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H45.5 Cu3 N9 O12
Calculated formula	C54 H45.58 Cu3 N9 O12
Title of publication	Five metal-organic frameworks from 3,4-dimethylphenyl substituted imidazole dicarboxylate: syntheses, structures and properties.
Authors of publication	Jia, Hongliang; Li, Yanlin; Xiong, Zhifang; Wang, Chengjie; Li, Gang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	9
Pages of publication	3704 - 3715
a	11.107 ± 0.0016 Å
b	13.386 ± 0.002 Å
c	18.061 ± 0.003 Å
α	88.704 ± 0.002°
β	77.557 ± 0.002°
γ	81.91 ± 0.002°
Cell volume	2596 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1631
Residual factor for significantly intense reflections	0.0992
Weighted residual factors for significantly intense reflections	0.1952
Weighted residual factors for all reflections included in the refinement	0.2206
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7029195.cif
105537	2014-03-12	cif/ Adding structures of 7029194, 7029195, 7029196, 7029197, 7029198 via cif-deposit CGI script.	7029195.cif