Crystallography Open Database

Information card for entry 4311958

4311957 << 4311958 >> 4311959

Preview

Coordinates	4311958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H37 F6 N3 O3 P Ru S
Calculated formula	C31 H37 F6 N3 O3 P Ru S
SMILES	[Ru]123([S](=O)(C)C)(Oc4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)[n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	A Platinum-Ruthenium Dinuclear Complex Bridged by Bis(terpyridyl)xanthene
Authors of publication	Rei Okamura; Tohru Wada; Katsuji Aikawa; Toshi Nagata; Koji Tanaka
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7210 - 7217
a	8.972 ± 0.004 Å
b	12.609 ± 0.005 Å
c	15.791 ± 0.006 Å
α	70.94 ± 0.01°
β	73.23 ± 0.01°
γ	82.1 ± 0.02°
Cell volume	1614.8 ± 1.1 Å³
Cell temperature	173.1 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 significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4311958.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311958.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311958.cif
3460	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311958 via cif-deposit CGI script.	4311958.cif