Crystallography Open Database

Information card for entry 7231597

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Coordinates	7231597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 Cl4 Cu2 N5
Calculated formula	C26 H39 Cl4 Cu2 N5
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	12.155 ± 0.0008 Å
b	13.1686 ± 0.0009 Å
c	20.007 ± 0.0013 Å
α	90°
β	93.363 ± 0.002°
γ	90°
Cell volume	3196.9 ± 0.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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
Residual factor for all reflections	0.0942
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1521
Goodness-of-fit parameter for all reflections included in the refinement	1.195
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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