Crystallography Open Database

Information card for entry 7008131

Preview

Coordinates	7008131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H14 Cl2 F6 N O9 Re S5
Calculated formula	C11.01 H12 Cl2 F6 N0.99 O9 Re S5
Title of publication	The chemistry of the fac-[Re(CO)2(NO)]2+ fragment in aqueous solution.
Authors of publication	Kurz, Philipp; Rattat, Dirk; Angst, Daniela; Schmalle, Helmut; Spingler, Bernhard; Alberto, Roger; Berke, Heinz; Beck, Wolfgang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	4
Pages of publication	804 - 810
a	8.9563 ± 0.0006 Å
b	9.5622 ± 0.0006 Å
c	14.9054 ± 0.001 Å
α	96.921 ± 0.008°
β	98.735 ± 0.008°
γ	91.503 ± 0.008°
Cell volume	1251.24 ± 0.15 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
179785 (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 7/00/81.	7008131.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008131.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008131.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008131.cif