Crystallography Open Database

Information card for entry 7105748

Preview

Coordinates	7105748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 N5
Calculated formula	C7 H7 N5
Title of publication	UV Absorbing Zwitterionic Pyridinium-Tetrazolate. Exceptional Transparency/Optical Nonlinearity Tradeoff
Authors of publication	Luca Beverina; Alessandro Sanguineti; Glauco Battagliarin; Riccardo Ruffo; Dominique Roberto; Stefania Righetto; Raffaella Soave; Leonardo Lo Presti; Renato Ugo; Giorgio Pagani
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	292
a	10.5257 ± 0.001 Å
b	10.8919 ± 0.0011 Å
c	7.0298 ± 0.0007 Å
α	90°
β	108.36 ± 0.002°
γ	90°
Cell volume	764.91 ± 0.13 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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