Crystallography Open Database

Information card for entry 8107566

Preview

Coordinates	8107566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H13 Cl2 N5
Calculated formula	C4 H13 Cl2 N5
Title of publication	Crystal structure of N-(diaminomethylene)-1-(dimethylamino)-1-iminiomethanaminium dichloride, C4H13Cl2N5
Authors of publication	Xia, Yu-Pei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	4
Pages of publication	799 - 800
a	7.1868 ± 0.0006 Å
b	5.8408 ± 0.0004 Å
c	12.6534 ± 0.0011 Å
α	90°
β	105.134 ± 0.002°
γ	90°
Cell volume	512.73 ± 0.07 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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

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