Crystallography Open Database

Information card for entry 4322219

Preview

Coordinates	4322219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H43 O5 Re2 S7
Calculated formula	C25 H43 O5 Re2 S7
Title of publication	Monomerization of a Rhenium(V) Dimer by Ligation
Authors of publication	Josemon Jacob; Gábor Lente; Ilia A. Guzei; James H. Espenson
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	3762 - 3763
a	14.1515 ± 0.0012 Å
b	10.8017 ± 0.0009 Å
c	22.9054 ± 0.0019 Å
α	90°
β	101.503 ± 0.002°
γ	90°
Cell volume	3431 ± 0.5 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1012
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1504
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
179325 (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 4/32/22.	4322219.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322219.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322219.cif
20480	2011-06-09	../uploads/cif-deposit/cod/cif Adding structures of 4322219 via cif-deposit CGI script.	4322219.cif