Crystallography Open Database

Information card for entry 7115415

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Coordinates	7115415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H69 Cu7 I N15
Calculated formula	C57 H69 Cu7 I N15
Title of publication	A dual-emitting Cu6-Cu2-Cu6 cluster as a self-calibrated, wide-range luminescent molecular thermometer
Authors of publication	Jun-Hao Wang; Mian Li; Ji Zheng; Xiao-Chun Huang; Dan Li
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	9115
a	9.1825 ± 0.0003 Å
b	16.4791 ± 0.0007 Å
c	23.3979 ± 0.0011 Å
α	102.41 ± 0.004°
β	99.703 ± 0.004°
γ	99.9 ± 0.003°
Cell volume	3327.7 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1623
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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