Crystallography Open Database

Information card for entry 4107735

Preview

Coordinates	4107735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 F3 N4 O6 Re S
Calculated formula	C20 H18 F3 N4 O6 Re S
Title of publication	Pyridine Ring Opening at Room Temperature at a Rhenium Tricarbonyl Bipyridine Complex
Authors of publication	Miguel A. Huertos; Julio Pérez; Lucía Riera
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	5662 - 5663
a	13.9458 ± 0.0002 Å
b	13.27459 ± 0.00014 Å
c	14.1729 ± 0.0002 Å
α	90°
β	118.462 ± 0.002°
γ	90°
Cell volume	2306.63 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0391
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178823 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/77.	4107735.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107735.cif
55884	2012-05-07	cif/ Adding structures of 4107735 via cif-deposit CGI script.	4107735.cif