Crystallography Open Database

Information card for entry 4320982

4320981 << 4320982 >> 4320983

Preview

Coordinates	4320982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 F12 N4 O2 P2 Ru S3
Calculated formula	C22 H30 F12 N4 O2 P2 Ru S3
Title of publication	Controlling Substitution Chemistry in Ruthenium(II) Systems. Synthesis of Heteroleptic Complexes Incorporating the [Ru([9]aneS3)]2+ Metal Center
Authors of publication	Sue Roche; Harry Adams; Sharon E. Spey; James A. Thomas
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2385 - 2390
a	23.267 ± 0.005 Å
b	11.5457 ± 0.0018 Å
c	26.192 ± 0.005 Å
α	90°
β	114.836 ± 0.01°
γ	90°
Cell volume	6385 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.0512
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179312 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/09.	4320982.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320982.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320982.cif
18306	2011-04-28	../uploads/cif-deposit/cod/cif Adding structures of 4320982 via cif-deposit CGI script.	4320982.cif