Crystallography Open Database

Information card for entry 7212652

Preview

Coordinates	7212652.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Cu2Cl(OX1)2](ClO4)-9/4(H2O)-3/4(CH3CN)
Formula	C31.5 H36.75 Cl2 Cu2 N6.75 O12.25
Calculated formula	C31.5 H32.25 Cl2 Cu2 N6.75 O12.25
Title of publication	Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio
Authors of publication	Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	12
Pages of publication	4328
a	22.988 ± 0.011 Å
b	25.016 ± 0.012 Å
c	13.119 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	7544 ± 6 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	59
Hermann-Mauguin space group symbol	P m m n :2
Hall space group symbol	-P 2ab 2a
Residual factor for all reflections	0.2272
Residual factor for significantly intense reflections	0.1452
Weighted residual factors for significantly intense reflections	0.3738
Weighted residual factors for all reflections included in the refinement	0.4192
Goodness-of-fit parameter for all reflections included in the refinement	1.299
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7212652.cif
93187	2014-01-12	cif/ Adding structures of 7212650, 7212651, 7212652, 7212653, 7212654, 7212655 via cif-deposit CGI script.	7212652.cif