Crystallography Open Database

Information card for entry 7027327

Preview

Coordinates	7027327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H97 B F24 N4 O4 P4
Calculated formula	C68 H97 B F24 N4 O4 P4 Re2
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	14.256 ± 0.002 Å
b	16.859 ± 0.002 Å
c	17.771 ± 0.002 Å
α	97.22 ± 0.01°
β	93.87 ± 0.01°
γ	96.11 ± 0.01°
Cell volume	4199 ± 0.9 Å³
Cell temperature	183 ± 5 K
Ambient diffraction temperature	183 ± 5 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1104
Weighted residual factors for significantly intense reflections	0.0813
Goodness-of-fit parameter for significantly intense reflections	1.1395
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
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.	7027327.cif
95269	2014-01-28	cif/ Adding structures of 7027324, 7027325, 7027326, 7027327 via cif-deposit CGI script.	7027327.cif