Crystallography Open Database

Information card for entry 4319824

4319823 << 4319824 >> 4319825

Preview

Coordinates	4319824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H43 Cl Mo3 O3 P Rh S5
Calculated formula	C45.82 H43 Cl Mo3 O3 P2 Rh S4
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	10.0581 ± 0.0011 Å
b	13.925 ± 0.0015 Å
c	17.7511 ± 0.0018 Å
α	86.354 ± 0.004°
β	88.273 ± 0.004°
γ	69.43 ± 0.004°
Cell volume	2322.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1962
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	0.756
Diffraction radiation wavelength	0.71073 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.	4319824.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319824.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319824.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' ) &	4319824.cif
16629	2011-03-25	../uploads/cif-deposit/cod/cif Adding structures of 4319824 via cif-deposit CGI script.	4319824.cif