Crystallography Open Database

Information card for entry 7107070

Preview

Coordinates	7107070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H39 Cu7 I4 N10
Calculated formula	C45 H38.97 Cu7 I4 N10
Title of publication	When Cu4I4 cubane meets Cu3(Pyrazolate)3 triangle: dynamic interplay between two classical luminophores functioning in a reversiblly thermochromic coordination polymer
Authors of publication	Shun-Ze Zhan; Mian Li; Xiao-Ping Zhou; Jun-Hao Wang; Ju-Rong Yang; Dan Li
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	12441
a	18.469 ± 0.0004 Å
b	18.469 ± 0.0004 Å
c	25.3532 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	7489.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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