Crystallography Open Database

Information card for entry 7018471

Preview

Coordinates	7018471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H69 Cu3 N6 S3
Calculated formula	C57 H69 Cu3 N6 S3
SMILES	CC(N1C(N(c2ccccc12)C(C)C)=[Cu]1[S](c2ccccc2)[Cu]([S](c2ccccc2)[Cu]([S]1c1ccccc1)=C1N(c2c(cccc2)N1C(C)C)C(C)C)=C1N(c2c(cccc2)N1C(C)C)C(C)C)C
Title of publication	N-heterocyclic carbene stabilized copper- and silver-phenylchalcogenolate ring complexes.
Authors of publication	Humenny, Will J.; Mitzinger, Stefan; Khadka, Chhatra B.; Najafabadi, Bahareh Khalili; Vieira, Isabelle; Corrigan, John F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	15
Pages of publication	4413 - 4422
a	15.5206 ± 0.0006 Å
b	15.5206 ± 0.0006 Å
c	40.62 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	8474 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0664
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
179888 (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 7/01/84.	7018471.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018471.cif
52109	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7018465, 7018466, 7018467, 7018468, 7018469, 7018470, 7018471, 7018472 via cif-deposit CGI script.	7018471.cif