Crystallography Open Database

Information card for entry 4324128

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Coordinates	4324128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Cu4 I N9
Calculated formula	C36 H38 Cu4 I 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	12.0541 ± 0.0006 Å
b	12.689 ± 0.0006 Å
c	13.7213 ± 0.0007 Å
α	107.004 ± 0.001°
β	103.246 ± 0.001°
γ	101.501 ± 0.001°
Cell volume	1871.88 ± 0.16 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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