Crystallography Open Database

Information card for entry 8000159

Preview

Coordinates	8000159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22 Cu N5 O14.5 V5
Calculated formula	C25 H20 Cu N5 O14.5 V5
Title of publication	Inorganic‒Organic Hybrid with 3D Supramolecular Channel Assembled through C‒H···O Interactions Based on the Decavanadate
Authors of publication	Li, Taohai; Lü, Jian; Gao, Shuiying; Li, Feng; Cao, Rong
Journal of publication	Chemistry Letters
Year of publication	2007
Journal volume	36
Journal issue	3
Pages of publication	356
a	10.0057 ± 0.0005 Å
b	13.0461 ± 0.0006 Å
c	13.0849 ± 0.0006 Å
α	94.771 ± 0.001°
β	109.52°
γ	102.923 ± 0.001°
Cell volume	1545.74 ± 0.13 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0766
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.264
Diffraction radiation probe	x-ray
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8000159.cif
176466	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000159.cif
94300	2014-01-22	cif/ Adding structures of 8000159 via cif-deposit CGI script.	8000159.cif