Crystallography Open Database

Information card for entry 8104557

Preview

Coordinates	8104557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 N10 O6
Calculated formula	C10 H16 N10 O6
Title of publication	Crystal structure of (((1E,1′E)-1,2-phenylenebis(methaneylylidene))bis(hydrazin-1-yl-2-ylidene))bis(aminomethaniminium) dinitrate C10H16N10O6
Authors of publication	Jin, Ze-Sen; Liu, E.; Liu, Xiao-Jing; Li, Zhuang-Yu; Jian, Fang-fang; Liang, Tongling
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	6
Pages of publication	1169 - 1170
a	12.5131 ± 0.0007 Å
b	16.4675 ± 0.0009 Å
c	8.1488 ± 0.0004 Å
α	90°
β	107.361 ± 0.005°
γ	90°
Cell volume	1602.64 ± 0.15 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 ± 0.1 K
Number of distinct elements	4
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	0.0452
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation probe	x-ray
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
272877 (current)	2022-02-09	cif/ Adding structures of 8104557 via cif-deposit CGI script.	8104557.cif