Crystallography Open Database

Information card for entry 7231596

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Coordinates	7231596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 Cl2 Cu N2
Calculated formula	C12 H18 Cl2 Cu N2
Title of publication	Dynamic behaviour in nonporous hybrid metal‒organic materials via mechanochemical and gas‒solid reactions
Authors of publication	Guo, Fang; Wang, Hao-Cheng; Famulari, Antonino; Lu, Hai-Dong; Martí-Rujas, Javier
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	42
Pages of publication	6721
a	21.2189 ± 0.0018 Å
b	8.7496 ± 0.0008 Å
c	7.2499 ± 0.0007 Å
α	90°
β	94.387 ± 0.004°
γ	90°
Cell volume	1342.1 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0929
Residual factor for significantly intense reflections	0.0913
Weighted residual factors for significantly intense reflections	0.2411
Weighted residual factors for all reflections included in the refinement	0.2424
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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