Crystallography Open Database

Information card for entry 4321755

Preview

Coordinates	4321755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H55 N2 O2 P Ru S3
Calculated formula	C33 H55 N2 O2 P Ru S3
Title of publication	Transition-Metal Complexes with Sulfur Ligands. 132.1 Electron-Rich Fe and Ru Complexes with [MN~2~S~3~] Cores Containing the New Pentadentate Ligand 'N~2~H~2~S~3~'^2-^ (= 2,2'-Bis(2-mercaptophenylamino)diethyl Sulfide(2-))
Authors of publication	Dieter Sellmann; Jürgen Utz; Frank W. Heinemann
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	459 - 466
a	10.537 ± 0.003 Å
b	24.437 ± 0.007 Å
c	14.531 ± 0.007 Å
α	90°
β	102.35 ± 0.03°
γ	90°
Cell volume	3655 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.091
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for all reflections	0.0889
Weighted residual factors for significantly intense reflections	0.0823
Goodness-of-fit parameter for all reflections	0.716
Goodness-of-fit parameter for significantly intense reflections	0.984
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
179320 (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 4/32/17.	4321755.cif
131580	2015-02-08	cif/ (antanas@koala.ibt.lt) Replacing typo ".." values with ".".	4321755.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321755.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321755.cif
19566	2011-05-21	../uploads/cif-deposit/cod/cif Adding structures of 4321755 via cif-deposit CGI script.	4321755.cif