Crystallography Open Database

Information card for entry 4304653

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Coordinates	4304653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H30 Cu6 N12
Calculated formula	C33 H30 Cu6 N12
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	24.561 ± 0.004 Å
b	20.118 ± 0.003 Å
c	8.0845 ± 0.0012 Å
α	90°
β	106.176 ± 0.002°
γ	90°
Cell volume	3836.6 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.0686
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.171
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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