Crystallography Open Database

Information card for entry 7129351

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Coordinates	7129351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H4 N4
Calculated formula	C2 H4 N4
SMILES	N#CN=C(N)N
Title of publication	Robust and color-tunable afterglows from guanidine derivatives
Authors of publication	Zhao, Zihao; Li, Yuxuan; Chen, Xiaohong; Zhang, Yongming; Yuan, Wang Zhang
Journal of publication	Chemical Communications
Year of publication	2021
a	14.9827 ± 0.0005 Å
b	4.4969 ± 0.0001 Å
c	13.1144 ± 0.0004 Å
α	90°
β	115.361 ± 0.001°
γ	90°
Cell volume	798.44 ± 0.04 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0346
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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