Crystallography Open Database

Information card for entry 7015958

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Coordinates	7015958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H9 Cu3 N14
Calculated formula	C16 H9 Cu3 N14
Title of publication	Unprecedented copper(i)-catalyzed in situ double cycloaddition reaction based on 2-cyanopyrimidine.
Authors of publication	Wen, Tian; Li, Mian; Zhou, Xiao-Ping; Li, Dan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	21
Pages of publication	5684 - 5686
a	9.7029 ± 0.0006 Å
b	10.1842 ± 0.0006 Å
c	11.1003 ± 0.0007 Å
α	107.292 ± 0.001°
β	91.191 ± 0.001°
γ	109.512 ± 0.001°
Cell volume	978.34 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0689
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1496
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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