Crystallography Open Database

Information card for entry 7029198

Preview

Coordinates	7029198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H55 Mn3 N10 O16
Calculated formula	C65 H56 Mn3 N10 O16
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	33.287 ± 0.004 Å
b	7.5503 ± 0.0008 Å
c	25.231 ± 0.003 Å
α	90°
β	95.425 ± 0.002°
γ	90°
Cell volume	6312.8 ± 1.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1121
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.1664
Weighted residual factors for all reflections included in the refinement	0.1885
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
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.	7029198.cif
105537	2014-03-12	cif/ Adding structures of 7029194, 7029195, 7029196, 7029197, 7029198 via cif-deposit CGI script.	7029198.cif