Crystallography Open Database

Information card for entry 7059060

Preview

Coordinates	7059060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 N6
Calculated formula	C9 H6 N6
Title of publication	An aminotetracyanocyclopentadienide system: light-induced formation of a thermally stable cyclopentadienyl radical
Authors of publication	Nimax, Patrick R.; Zoller, Florian; Blockhaus, Tobias; Küblböck, Teresa; Fattakhova-Rohlfing, Dina; Sünkel, Karlheinz
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	1
Pages of publication	72 - 78
a	6.7736 ± 0.0003 Å
b	8.6454 ± 0.0004 Å
c	10.235 ± 0.0004 Å
α	67.666 ± 0.001°
β	72.808 ± 0.002°
γ	83.739 ± 0.002°
Cell volume	529.63 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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