Crystallography Open Database

Information card for entry 4317893

Preview

Coordinates	4317893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 Cu2 Mo2 N2 O11
Calculated formula	C10 H8 Cu2 Mo2 N2 O11
Title of publication	Ligand Influences on Copper Molybdate Networks: The Structures and Magnetism of [Cu(3,4'-bpy)MoO4], [Cu(3,3'-bpy)0.5MoO4], and [Cu(4,4'-bpy)0.5MoO4].1.5H2O
Authors of publication	Randy S. Rarig,; Robert Lam; Peter Y. Zavalij; J. Katana Ngala; Robert L. LaDuca,; John E. Greedan; Jon Zubieta
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	2124 - 2133
a	7.4273 ± 0.0007 Å
b	9.2314 ± 0.0008 Å
c	13.8806 ± 0.0012 Å
α	71.411 ± 0.002°
β	88.528 ± 0.002°
γ	73.65 ± 0.002°
Cell volume	863.43 ± 0.13 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0783
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179258 (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 4/31/78.	4317893.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317893.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317893.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' ) &	4317893.cif
14175	2011-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4317893 via cif-deposit CGI script.	4317893.cif