Crystallography Open Database

Information card for entry 4324126

Preview

Coordinates	4324126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Cl Cu4 N9
Calculated formula	C36 H38 Cl Cu4 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	7.571 ± 0.002 Å
b	19.468 ± 0.005 Å
c	12.93 ± 0.004 Å
α	90°
β	100.719 ± 0.004°
γ	90°
Cell volume	1872.5 ± 0.9 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1255
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.1974
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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