Crystallography Open Database

Information card for entry 7018204

Preview

Coordinates	7018204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 N2 O9 Re2
Calculated formula	C12 H6 N2 O9 Re2
SMILES	[Re]([Re](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C1NCCN1
Title of publication	Synthesis of N-heterocyclic carbene rhenium(i) carbonyl complexes.
Authors of publication	Chen, Chang-Hung; Liu, Yi-Hung; Peng, Shie-Ming; Chen, Jwu-Ting; Liu, Shiuh-Tzung
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	9
Pages of publication	2747 - 2754
a	7.9466 ± 0.0002 Å
b	8.7775 ± 0.0002 Å
c	12.6693 ± 0.0003 Å
α	99.095 ± 0.002°
β	90.065 ± 0.002°
γ	101.329 ± 0.002°
Cell volume	855.11 ± 0.04 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0289
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
179886 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/82.	7018204.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018204.cif
37687	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018204, 7018205, 7018206, 7018207, 7018208, 7018209 via cif-deposit CGI script.	7018204.cif