Crystallography Open Database

Information card for entry 7208114

7208113 << 7208114 >> 7208115

Preview

Coordinates	7208114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H54 Cd2 N6 O29
Calculated formula	C54 H44 Cd2 N6 O29
Title of publication	Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers
Authors of publication	Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	13
Pages of publication	4312
a	20.7 ± 0.005 Å
b	11.623 ± 0.003 Å
c	29.216 ± 0.006 Å
α	90°
β	118.682 ± 0.013°
γ	90°
Cell volume	6167 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1355
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.2369
Weighted residual factors for all reflections included in the refinement	0.2763
Goodness-of-fit parameter for all reflections included in the refinement	0.93
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
180412 (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 7/20/81.	7208114.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208114.cif
62793	2012-07-09	cif/ Adding structures of 7208108, 7208109, 7208110, 7208111, 7208112, 7208113, 7208114, 7208115, 7208116 via cif-deposit CGI script.	7208114.cif