Crystallography Open Database

Information card for entry 1572422

Preview

Coordinates	1572422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H5 N5 O3 Zn
Calculated formula	C3 H5 N5 O3 Zn
Title of publication	N2H4Zn(HC3N3O3): Exceptionally Strong Second Harmonic Generation and Ultra-long Phosphorescence
Authors of publication	Yang, Can; Kang, Yuwei; Wang, Xuefei; Gou, Jie; Xiong, Yi; Zhu, Zece; Chen, Ling; Wu, Qi
Journal of publication	Chemical Science
Year of publication	2024
a	9.4696 ± 0.0005 Å
b	9.4104 ± 0.0004 Å
c	7.9944 ± 0.0004 Å
α	90°
β	113.333 ± 0.002°
γ	90°
Cell volume	654.14 ± 0.06 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0175
Residual factor for significantly intense reflections	0.0174
Weighted residual factors for significantly intense reflections	0.0468
Weighted residual factors for all reflections included in the refinement	0.0469
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1572422.html