Crystallography Open Database

Information card for entry 4318699

Preview

Coordinates	4318699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H42 O23 Ru10 Sn2
Calculated formula	C64 H42 O23 Ru10 Sn2
SMILES	[Ru]123456789([Ru]%10%11%12([Ru]%13%14([Ru]1([Ru]2%10%13([C]4%12c1ccccc1)(C#[O])(C#[O])C#[O])([Sn]3%11%14c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O])[cH]1[cH]5[cH]6[cH]7[cH]8[cH]91.CCOCC
Title of publication	High Nuclearity Ruthenium-Tin Clusters from the Reactions of Triphenylstannane with Pentaruthenium Carbonyl Carbido Cluster Complexes
Authors of publication	Richard D. Adams; Burjor Captain; Wei Fu; Mark D. Smith
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	5593 - 5601
a	9.7219 ± 0.0007 Å
b	17.0961 ± 0.0012 Å
c	23.3176 ± 0.0016 Å
α	70.876 ± 0.002°
β	83.645 ± 0.002°
γ	76.101 ± 0.002°
Cell volume	3552.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1129
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
179266 (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 4/31/86.	4318699.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318699.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318699.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' ) &	4318699.cif
15420	2011-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4318699 via cif-deposit CGI script.	4318699.cif