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	N<sub>2</sub>H<sub>4</sub>Zn(HC<sub>3</sub>N<sub>3</sub>O<sub>3</sub>): 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
Journal volume	15
Journal issue	38
Pages of publication	15725 - 15730
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

Version history

Revision	Date	Message	Files
295210 (current)	2024-10-06	cif/ Updating files of 1572422 Original log message: Adding full bibliography for 1572422.cif.	1572422.cif
294296	2024-08-31	cif/ Adding structures of 1572422 via cif-deposit CGI script.	1572422.cif