Crystallography Open Database

Information card for entry 7027324

Preview

Coordinates	7027324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H86 B F24 N2 O2.5 P2 Re
Calculated formula	C73 H86 B F24 N2 O2.5 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	13.423 ± 0.0014 Å
b	17.641 ± 0.002 Å
c	17.946 ± 0.002 Å
α	101.79 ± 0.013°
β	109.224 ± 0.012°
γ	92.608 ± 0.013°
Cell volume	3898.6 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.1017
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.1747
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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.	7027324.cif
95269	2014-01-28	cif/ Adding structures of 7027324, 7027325, 7027326, 7027327 via cif-deposit CGI script.	7027324.cif