Crystallography Open Database

Information card for entry 4319475

4319474 << 4319475 >> 4319476

Preview

Coordinates	4319475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H15 N4 O8 Ru2
Calculated formula	C12 H12 N4 O8 Ru2
Title of publication	Metal-Metal Bonded Diruthenium(II, III) Assemblies with the Polycyano Anionic Linkers N(CN)2-, C(CN)3-, and 1,4-Dicyanamido-2,5-dimethylbenzene (DM-Dicyd2-): Syntheses, Structures, and Magnetic Properties
Authors of publication	Hitoshi Miyasaka; Rodolphe Clérac; Cristian S. Campos-Fernández; Kim R. Dunbar
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	1663 - 1671
a	10.174 ± 0.002 Å
b	13.016 ± 0.003 Å
c	7.075 ± 0.0014 Å
α	90°
β	101.83 ± 0.03°
γ	90°
Cell volume	917 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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
179274 (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 4/31/94.	4319475.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319475.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319475.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' ) &	4319475.cif
16207	2011-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4319475 via cif-deposit CGI script.	4319475.cif