Crystallography Open Database

Information card for entry 7029197

Preview

Coordinates	7029197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H74 N16 O17 Zn4
Calculated formula	C100 H74 N16 O17 Zn4
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	18.737 ± 0.002 Å
b	20.667 ± 0.003 Å
c	23.441 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	9077 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1901
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.199
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
179997 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/91.	7029197.cif
105537	2014-03-12	cif/ Adding structures of 7029194, 7029195, 7029196, 7029197, 7029198 via cif-deposit CGI script.	7029197.cif