Crystallography Open Database

Information card for entry 7107069

Preview

Coordinates	7107069.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	18.4873 ± 0.0004 Å
b	18.4873 ± 0.0004 Å
c	25.7549 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	7623.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0552
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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