Crystallography Open Database

Information card for entry 4322146

Preview

Coordinates	4322146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 O Re2 S5
Calculated formula	C16 H18 O Re2 S5
SMILES	[Re]12(S[Re]3([S]1Cc1ccccc1S2)(SCc1ccccc1S3)C)(=O)C
Title of publication	Synthesis and Structural Characterization of Novel Terminal and Bridging Re(V)-Sulfido Complexes
Authors of publication	Josemon Jacob; Ilia A. Guzei; James H. Espenson
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	3266 - 3267
a	11.2214 ± 0.0006 Å
b	12.8234 ± 0.0007 Å
c	13.7784 ± 0.0008 Å
α	90°
β	90.423 ± 0.001°
γ	90°
Cell volume	1982.61 ± 0.19 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
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	0.0269
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0449
Weighted residual factors for all reflections included in the refinement	0.0466
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
179324 (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 4/32/21.	4322146.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322146.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322146.cif
20395	2011-06-05	../uploads/cif-deposit/cod/cif Adding structures of 4322146 via cif-deposit CGI script.	4322146.cif