Crystallography Open Database

Information card for entry 7106812

Preview

Coordinates	7106812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 Cu N7
Calculated formula	C14 H6 Cu N7
Title of publication	Transition metal complexes of the pentacyanocyclopentadienide anion
Authors of publication	Robert J. Less; Thomas C. Wilson; Mary McPartlin; Paul; T.; Wood; Wright, Dominic
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	10007
a	4.8026 ± 0.0001 Å
b	20.304 ± 0.0005 Å
c	15.993 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1559.51 ± 0.07 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.204
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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