Crystallography Open Database

Information card for entry 7015464

Preview

Coordinates	7015464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H34 Cu N2 O4
Calculated formula	C26 H34 Cu N2 O4
SMILES	[Cu]12([O]=C(O1)C)(OC(=[O]2)C)=C1N(CCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Dual reactivity of N-heterocyclic carbenes towards copper(II) salts.
Authors of publication	Kolychev, Eugene L.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Bush, Alexander A.; Nechaev, Mikhail S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	12
Pages of publication	3074 - 3076
a	23.7798 ± 0.0011 Å
b	8.8383 ± 0.0004 Å
c	16.8227 ± 0.0014 Å
α	90°
β	134.886 ± 0.001°
γ	90°
Cell volume	2505.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1762
Weighted residual factors for all reflections included in the refinement	0.1994
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179858 (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 7/01/54.	7015464.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015464.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015464.cif
21158	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015461, 7015462, 7015463, 7015464, 7015465 via cif-deposit CGI script.	7015464.cif