Crystallography Open Database

Information card for entry 7018207

Preview

Coordinates	7018207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 N2 O5 Re
Calculated formula	C27 H33 N2 O5 Re
SMILES	[ReH](C#[O])(C#[O])(C#[O])(C#[O])=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.OCC
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	11.0693 ± 0.0002 Å
b	10.303 ± 0.0002 Å
c	23.0176 ± 0.0004 Å
α	90°
β	90.486 ± 0.002°
γ	90°
Cell volume	2624.99 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7018207.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018207.cif
37687	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018204, 7018205, 7018206, 7018207, 7018208, 7018209 via cif-deposit CGI script.	7018207.cif