Crystallography Open Database

Information card for entry 8106097

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Coordinates	8106097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 Cu N4 O4
Calculated formula	C24 H32 Cu N4 O4
SMILES	[Cu]123n4c(c(C(=O)OCC)c(c4C=[N]1CCCC[N]2=Cc1c(c(c(C)n31)C(=O)OCC)C)C)C
Title of publication	Crystal structure of bis(5,5′-((butane-1,4-diylbis(azanylylidene))bis(methanylylidene))bis(3-(ethoxycarbonyl)-2,4-dimethylpyrrol-1-ido-k4 N,N′,N′′,N′′′)copper(II), C24H32CuN4O4
Authors of publication	Wang, Wan-Wan; Wu, Wei-Na; Wang, Yuan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	2
Pages of publication	195 - 197
a	11.8142 ± 0.001 Å
b	45.481 ± 0.004 Å
c	9.254 ± 0.0008 Å
α	90°
β	97.886 ± 0.002°
γ	90°
Cell volume	4925.4 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.079
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
279291 (current)	2022-11-15	cif/ Adding structures of 8106097 via cif-deposit CGI script.	8106097.cif