Crystallography Open Database

Information card for entry 4314488

Preview

Coordinates	4314488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 Cu N5 O2
Calculated formula	C24 H19 Cu N5 O2
SMILES	c1ccc2C(=c3ccc[n]3[Cu]3(OC(=C(C(=[O]3)C)C#N)C)n12)c1ccc(cc1)n1cccn1
Title of publication	Assembly of Heteroleptic Copper Complexes with Silver Salts: From Discrete Trinuclear Complexes to Infinite Networks
Authors of publication	Dmitry Pogozhev; Stéphane A. Baudron; Mir Wais Hosseini
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	331 - 338
a	7.0712 ± 0.0003 Å
b	15.8916 ± 0.0007 Å
c	9.497 ± 0.0004 Å
α	90°
β	105.493 ± 0.001°
γ	90°
Cell volume	1028.42 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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