Crystallography Open Database

Information card for entry 4311962

4311961 << 4311962 >> 4311963

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Coordinates	4311962.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ReO2Carben
Chemical name	Tetrakis(1,3-diisopropyl-4,5-dimethylimidazole-2-yliden)dioxorheniumperrhenat x 1.5 THF
Formula	C50 H92 N8 O7.5 Re2
Calculated formula	C50 H92 N8 O7.5 Re2
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	12.311 ± 0.005 Å
b	16.525 ± 0.005 Å
c	16.743 ± 0.005 Å
α	100.403 ± 0.005°
β	97.834 ± 0.005°
γ	106.272 ± 0.005°
Cell volume	3152.4 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
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.	4311962.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311962.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311962.cif
3464	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311962 via cif-deposit CGI script.	4311962.cif