Crystallography Open Database

Information card for entry 4324130

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Coordinates	4324130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Cu5 I2 N9
Calculated formula	C36 H42 Cu5 I2 N9
Title of publication	Trinuclear-based Copper(I) Pyrazolate Polymers: Effect of Trimer π-Acid...Halide/Pseudohalide Interactions on the Supramolecular Structure and Phosphorescence
Authors of publication	Lei Hou; Wen-Juan Shi; Yao-Yu Wang; Hai-Hua Wang; Lin Cui; Peng-Xiang Chen; Qi-Zhen Shi
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	261 - 270
a	13.0979 ± 0.0013 Å
b	22.008 ± 0.002 Å
c	14.7518 ± 0.0014 Å
α	90°
β	102.178 ± 0.001°
γ	90°
Cell volume	4156.6 ± 0.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1173
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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