Crystallography Open Database

Information card for entry 4319823

4319822 << 4319823 >> 4319824

Preview

Coordinates	4319823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H56 Mo6 O9 Ru2 S10
Calculated formula	C53 H56 Mo6 O9 Ru2 S10
Title of publication	Heterobimetallic, Cubane-like Mo3S4M' Cluster Cores Containing the Noble Metals M' = Ru, Os, Rh, Ir. Unprecedented Tri(μ-carbonyl) Bridge Between Ruthenium Atoms in [{(η5-Cp')3Mo3S4Ru}2(μ-CO)3]2+
Authors of publication	Konrad Herbst; Magda Monari; Michael Brorson
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2979 - 2985
a	23.909 ± 0.001 Å
b	17.497 ± 0.001 Å
c	15.854 ± 0.001 Å
α	90°
β	91.067 ± 0.002°
γ	90°
Cell volume	6631.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2087
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.1723
Weighted residual factors for all reflections included in the refinement	0.2364
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179278 (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 4/31/98.	4319823.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319823.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319823.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' ) &	4319823.cif
16628	2011-03-25	../uploads/cif-deposit/cod/cif Adding structures of 4319823 via cif-deposit CGI script.	4319823.cif