Crystallography Open Database

Information card for entry 4109044

Preview

Coordinates	4109044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69.43 H44.87 B Cl2.87 F20 N3 O2 P Re
Calculated formula	C69.434 H44.868 B Cl2.868 F20 N3 O2 P Re
Title of publication	Synthesis of Cationic Rhenium(VII) Oxo Imido Complexes and Their Tunability Towards Oxygen Atom Transfer
Authors of publication	Elon A. Ison; Jeanette E. Cessarich; Nicholas E. Travia; Phillip E. Fanwick; Mahdi M. Abu-Omar
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	1167 - 1178
a	18.1716 ± 0.0003 Å
b	19.4058 ± 0.0003 Å
c	22.118 ± 0.0003 Å
α	72.3473 ± 0.0011°
β	76.3375 ± 0.0008°
γ	65.7914 ± 0.0007°
Cell volume	6722.32 ± 0.18 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.107
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.124
Weighted residual factors for all reflections included in the refinement	0.143
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109044.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109044.cif
57795	2012-05-21	cif/ Adding structures of 4109044 via cif-deposit CGI script.	4109044.cif