Crystallography Open Database

Information card for entry 2218563

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Structure parameters

Chemical name	4-Ammoniobenzamidinium dichloride
Formula	C7 H11 Cl2 N3
Calculated formula	C7 H11 Cl2 N3
Title of publication	4-Ammoniobenzamidinium dichloride
Authors of publication	Legrand, Y. M.; Lee, A. van der; Barboiu, M.
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	6
Pages of publication	o967 - o968
a	4.1779 ± 0.0002 Å
b	20.9388 ± 0.001 Å
c	11.626 ± 0.0005 Å
α	90°
β	94.92 ± 0.004°
γ	90°
Cell volume	1013.3 ± 0.08 Å³
Cell temperature	175 K
Ambient diffraction temperature	175 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	0.0443
Residual factor for significantly intense reflections	0.027
Weighted residual factors for all reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0335
Weighted residual factors for all reflections included in the refinement	0.0335
Goodness-of-fit parameter for all reflections included in the refinement	1.0049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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