Crystallography Open Database

Information card for entry 7212650

Preview

Coordinates	7212650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 Cl2 Cu2 N6 O15
Calculated formula	C30 H30 Cl2 Cu2 N6 O15
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	13.9131 ± 0.0008 Å
b	14.4528 ± 0.0009 Å
c	20.545 ± 0.001 Å
α	76.206 ± 0.001°
β	74.406 ± 0.001°
γ	64.936 ± 0.001°
Cell volume	3567.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1626
Weighted residual factors for all reflections included in the refinement	0.1835
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
180457 (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 7/21/26.	7212650.cif
93187	2014-01-12	cif/ Adding structures of 7212650, 7212651, 7212652, 7212653, 7212654, 7212655 via cif-deposit CGI script.	7212650.cif