Crystallography Open Database

Information card for entry 7213716

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Coordinates	7213716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Cu2 I2 N4
Calculated formula	C16 H20 Cu2 I2 N4
Title of publication	Two isomeric [Cu4I4] luminophores: solvothermal/mechanochemical syntheses, structures and thermochromic luminescence properties
Authors of publication	Yuan, Shuai; Liu, Shan-Shan; Sun, Di
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	10
Pages of publication	1927
a	18.4183 ± 0.0015 Å
b	19.1626 ± 0.0016 Å
c	12.278 ± 0.001 Å
α	90°
β	114.633 ± 0.001°
γ	90°
Cell volume	3939.1 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0339
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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