Crystallography Open Database

Information card for entry 7004440

Preview

Coordinates	7004440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H60 F12 O2 P4 Re6 Sb2 Se8
Calculated formula	C26 H60 F12 O2 P4 Re6 Sb2 Se8
Title of publication	Cluster carbonyls of the [Re6(μ3-Se)8]2+ core: synthesis, structural characterization, and computational analysis
Authors of publication	Orto, Peter J.; Nichol, Gary S.; Okumura, Noriko; Evans, Dennis H.; Arratia-Pérez, Ramiro; Ramirez-Tagle, Rodrigo; Wang, Ruiyao; Zheng, Zhiping
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	32
Pages of publication	4247 - 4253
a	12.6671 ± 0.0013 Å
b	14.7698 ± 0.0015 Å
c	30.224 ± 0.003 Å
α	90°
β	94.217 ± 0.002°
γ	90°
Cell volume	5639.3 ± 1 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	8
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	0.0728
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179748 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/44.	7004440.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004440.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004440.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7004440.cif