Crystallography Open Database

Information card for entry 4120451

4120450 << 4120451 >> 4120452

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Coordinates	4120451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H168 Cl4 Cu12
Calculated formula	C96 H168 Cl4 Cu12
Title of publication	Isolable and well-defined butadienyl organocopper(i) aggregates: facile synthesis, structural characterization, and reaction chemistry.
Authors of publication	Geng, Weizhi; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	2
Pages of publication	610 - 613
a	12.371 ± 0.003 Å
b	17.06 ± 0.003 Å
c	28.421 ± 0.006 Å
α	95.05 ± 0.03°
β	99.79 ± 0.03°
γ	98.53 ± 0.03°
Cell volume	5806 ± 2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 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	0.0884
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1507
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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