Crystallography Open Database

Information card for entry 4304652

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Structure parameters

Formula	C30 H30 Cu3 N9
Calculated formula	C30 H30 Cu3 N9
SMILES	[Cu]1[n]2n([Cu]n3[n]([Cu]n4[n]1c(c(c1ccncc1)c4C)C)c(c(c1ccncc1)c3C)C)c(c(c1ccncc1)c2C)C
Title of publication	Novel Thermochromism Relating to Supramolecular Cuprophilic Interaction: Design, Synthesis, and Luminescence of Copper(I) Pyrazolate Trimer and Polymer
Authors of publication	Jing-Xiang Zhang; Jun He; Ye-Gao Yin; Mei-Hong Hu; Dan Li; Xiao-Chun Huang
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	3471 - 3473
a	10.483 ± 0.006 Å
b	11.73 ± 0.006 Å
c	11.891 ± 0.006 Å
α	88.584 ± 0.009°
β	84.357 ± 0.009°
γ	89.888 ± 0.009°
Cell volume	1454.7 ± 1.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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