Crystallography Open Database

Information card for entry 7214439

Preview

Coordinates	7214439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H35 Cd N9 O6
Calculated formula	C27 H22 Cd N7 O
Title of publication	Spontaneous chiral resolution of a 3D (3,12)-connected MOF with an unprecedented ttt topology consisting of cubic [Cd4(μ3-OH)4] clusters and propeller-like ligands
Authors of publication	Yuan, Shuai; Deng, Yong-Kai; Xuan, Wei-Min; Wang, Xing-Po; Wang, Su-Na; Dou, Jian-Min; Sun, Di
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	19
Pages of publication	3829
a	25.3961 ± 0.0009 Å
b	25.3961 ± 0.0009 Å
c	25.3961 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	16379.5 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	196
Hermann-Mauguin space group symbol	F 2 3
Hall space group symbol	F 2 2 3
Residual factor for all reflections	0.0955
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1884
Weighted residual factors for all reflections included in the refinement	0.2091
Goodness-of-fit parameter for all reflections included in the refinement	0.809
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
180475 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/44.	7214439.cif
109536	2014-04-16	cif/ Adding structures of 7214439, 7214440 via cif-deposit CGI script.	7214439.cif