Crystallography Open Database

Information card for entry 4319790

4319789 << 4319790 >> 4319791

Preview

Coordinates	4319790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Cu N2 O10.5 V4
Calculated formula	C10 H8 Cu N2 O10.5 V4
Title of publication	Hydrothermal Syntheses and Structural Characterizations of Organic-Inorganic Hybrid Materials of the M(II)-Ligand/Vanadium Oxide System (M(II) = Cu(II) and Zn(II); Ligand = 2,2'-Bipyridine and 2,2':6',2''-Terpyridine)
Authors of publication	Pamela J. Hagrman; Jon Zubieta
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2800 - 2809
a	8.0679 ± 0.0002 Å
b	9.6449 ± 0.0003 Å
c	11.6379 ± 0.0003 Å
α	85.648 ± 0.001°
β	72.627 ± 0.001°
γ	72.734 ± 0.001°
Cell volume	825.25 ± 0.04 Å³
Cell temperature	120 ± 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	0.043
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4319790.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319790.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319790.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4319790.cif
16591	2011-03-25	../uploads/cif-deposit/cod/cif Adding structures of 4319790 via cif-deposit CGI script.	4319790.cif