Crystallography Open Database

Information card for entry 7114946

Preview

Coordinates	7114946.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{Cu6(tib)8(OH)4](OH)8.4CH3OH.22H2O
Formula	C37 H54 Cu1.5 N12 O9.5
Calculated formula	C37 H37 Cu1.5 N12 O9.5
Title of publication	Assembly of a 3D nanoporous framework [Cu6(OH)4(tib)8]n8+ from Cu(ii) and the flexible tripodal ligand tib
Authors of publication	Liu, Hong-Ke; Tan, Hai-Yan; Liao, Sen; Xiao, Wen; Zhang, Hua-Xin; Yu, Xiao-Lan; Kang, Bei-Sheng; Cai, Ji-Wen; Zhou, Zhong-Yuan; Chan, Albert S. C.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	11
Pages of publication	1008
a	13.662 ± 0.002 Å
b	23.197 ± 0.004 Å
c	18.914 ± 0.004 Å
α	90°
β	110.074 ± 0.003°
γ	90°
Cell volume	5630 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.167
Residual factor for significantly intense reflections	0.092
Weighted residual factors for significantly intense reflections	0.271
Weighted residual factors for all reflections included in the refinement	0.3207
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
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.	7114946.cif
118438	2014-06-30	cif/ Adding structures of 7114946 via cif-deposit CGI script.	7114946.cif