Crystallography Open Database

Information card for entry 4308995

Preview

Coordinates	4308995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H74 F12 N4 O7 P4 Re2
Calculated formula	C47 H70 F12 N4 O7 P4 Re2
Title of publication	Reactivity of Rhenium(V) Oxo Schiff Base Complexes with Phosphine Ligands: Rearrangement and Reduction Reactions
Authors of publication	Paul D. Benny; Jenny L. Green; Hendrik P. Engelbrecht; Charles L. Barnes; Silvia S. Jurisson
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	2381 - 2390
a	18.1183 ± 0.0018 Å
b	11.5803 ± 0.0011 Å
c	28.519 ± 0.003 Å
α	90°
β	101.861 ± 0.002°
γ	90°
Cell volume	5856 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179127 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/89.	4308995.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308995.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308995.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308995.cif