Crystallography Open Database

Information card for entry 7202139

7202138 << 7202139 >> 7202140

Preview

Coordinates	7202139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H34 Cd3 N8 O12
Calculated formula	C46 H34 Cd3 N8 O12
Title of publication	Three-dimensional metal‒organic frameworks constructed from bix and 1,2,4-benzenetricarboxylate
Authors of publication	Yao, Jing; Lu, Zhen-Da; Li, Yi-Zhi; Lin, Jian-Guo; Duan, Xian-Ying; Gao, Song; Meng, Qing-Jin; Lu, Chang-Sheng
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	10
Pages of publication	1379
a	21.909 ± 0.006 Å
b	9.982 ± 0.003 Å
c	20.68 ± 0.006 Å
α	90°
β	110.377 ± 0.005°
γ	90°
Cell volume	4240 ± 2 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	0.0619
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0955
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
180352 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/21.	7202139.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202139.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202139.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7202139.cif