Crystallography Open Database

Information card for entry 7027326

Preview

Coordinates	7027326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H102 B F24 N2 O3 P2 Re
Calculated formula	C93 H102.001 B F24.0012 N2 O3 P2 Re
Title of publication	Co-ordination chemistry of the [Re(NO)2(PR3)2]+ fragment: crystallographic and computational studies †
Authors of publication	Jacobsen, Heiko; Heinze, Katja; Llamazares, Angela; Schmalle, Helmut W.; Artus, Georg; Berke, Heinz
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	11
Pages of publication	1717
a	13.892 ± 0.003 Å
b	18.768 ± 0.003 Å
c	19.569 ± 0.003 Å
α	97.76 ± 0.02°
β	107.96 ± 0.02°
γ	102.88 ± 0.02°
Cell volume	4615.8 ± 1.7 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 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 significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.0385
Goodness-of-fit parameter for significantly intense reflections	0.9612
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7027326.cif
95269	2014-01-28	cif/ Adding structures of 7027324, 7027325, 7027326, 7027327 via cif-deposit CGI script.	7027326.cif