Crystallography Open Database

Information card for entry 7016289

Preview

Coordinates	7016289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 F6 N5 O3 P Re
Calculated formula	C29 H31 F6 N5 O3 P Re
Title of publication	Using sterics to promote reactivity in fac-Re(CO)(3) complexes of some 'non-innocent' NNN-pincer ligands.
Authors of publication	Wanniarachchi, Sarath; Liddle, Brendan J.; Toussaint, John; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	35
Pages of publication	8776 - 8787
a	9.4951 ± 0.0001 Å
b	14.9707 ± 0.0002 Å
c	22.1068 ± 0.0003 Å
α	90°
β	100.119 ± 0.001°
γ	90°
Cell volume	3093.56 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179866 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/62.	7016289.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016289.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016289.cif
27373	2011-10-03	../uploads/cif-deposit/cod/cif Adding structures of 7016285, 7016286, 7016287, 7016288, 7016289, 7016290, 7016291, 7016292 via cif-deposit CGI script.	7016289.cif