Crystallography Open Database

Information card for entry 4319791

4319790 << 4319791 >> 4319792

Preview

Coordinates	4319791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 Cu N3 O6 V2
Calculated formula	C15 H11 Cu N3 O6 V2
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	16.2789 ± 0.0004 Å
b	10.5658 ± 0.0003 Å
c	18.8712 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3245.84 ± 0.15 Å³
Cell temperature	96 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0933
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
179277 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/97.	4319791.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319791.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319791.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' ) &	4319791.cif
16592	2011-03-25	../uploads/cif-deposit/cod/cif Adding structures of 4319791 via cif-deposit CGI script.	4319791.cif