Crystallography Open Database

Information card for entry 4311960

4311959 << 4311960 >> 4311961

Preview

Coordinates	4311960.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Chlorotetrakis(3,4-dimethyl-2,5-diethylimidazolylidene)oxorhenium(V)- bis(hexafluorophosphate) x 2 KPF6
Formula	C36 H64 Cl F24 K2 N8 O P4 Re
Calculated formula	C36 H64 Cl F24 K2 N8 O P4 Re
Title of publication	Rhenium(V) Oxo Complexes with N-Heterocyclic Carbenes
Authors of publication	Theresa I. Kückmann; Ulrich Abram
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7068 - 7074
a	17.098 ± 0.002 Å
b	17.098 ± 0.002 Å
c	9.673 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2827.8 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	9
Space group number	79
Hermann-Mauguin space group symbol	I 4
Hall space group symbol	I 4
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
179158 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/19.	4311960.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311960.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311960.cif
3462	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311960 via cif-deposit CGI script.	4311960.cif