Crystallography Open Database

Information card for entry 4000365

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Coordinates	4000365.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(C12H25)2-im]2[CuCl4]H2O
Chemical name	bis[(N-docdecyl)imidazolium]tetrachlorocuprate(II)
Formula	C54 H108 Cl4 Cu N4 O
Calculated formula	C54 H108 Cl4 Cu N4 O
SMILES	Cl[Cu](Cl)([Cl-])[Cl-].CCCCCCCCCCCCn1cc[n+](c1)CCCCCCCCCCCC.CCCCCCCCCCCCn1cc[n+](c1)CCCCCCCCCCCC.O
Journal of publication	Chemistry of Materials
Year of publication	2004
a	83.357 ± 0.003 Å
b	8.5867 ± 0.0003 Å
c	16.8486 ± 0.0004 Å
α	90°
β	97.468 ± 0.001°
γ	90°
Cell volume	11957.2 ± 0.7 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.055
Weighted residual factors for all reflections	0.1395
Weighted residual factors for significantly intense reflections	0.1277
Goodness-of-fit parameter for all reflections	1.055
Goodness-of-fit parameter for significantly intense reflections	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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