Crystallography Open Database

Information card for entry 4107734

Preview

Coordinates	4107734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 Cl6 F3 N4 O6 Re S
Calculated formula	C32 H30 Cl6 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	11.4968 ± 0.0001 Å
b	24.969 ± 0.0002 Å
c	27.7281 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	7959.73 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.1507
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	4107734.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107734.cif
55883	2012-05-07	cif/ Adding structures of 4107734 via cif-deposit CGI script.	4107734.cif