Crystallography Open Database

Information card for entry 7100172

Preview

Coordinates	7100172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 Cu N6 O2
Calculated formula	C38 H36 Cu N6 O2
SMILES	[Cu]12(=C3N(C=CN3c3c(cc(cc3C)C)C)N=C(O1)c1ccccc1)=C1N(C=CN1c1c(cc(cc1C)C)C)N=C(O2)c1ccccc1
Title of publication	Structure and Reactivity of a New Anionic N-Heterocyclic Carbene Silver(I) Complex
Authors of publication	A. Charette; Christopher Kendall; Claude Y. Legault
Journal of publication	Chemical Communications
Year of publication	2005
a	10.6331 ± 0.0002 Å
b	13.8447 ± 0.0002 Å
c	21.9638 ± 0.0004 Å
α	90°
β	91.223 ± 0.001°
γ	90°
Cell volume	3232.6 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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