Crystallography Open Database

Information card for entry 1516205

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Coordinates	1516205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 Cl N
Calculated formula	C3 Cl N
Title of publication	Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.
Authors of publication	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero
Journal of publication	The journal of physical chemistry. B
Year of publication	2011
Journal volume	115
Journal issue	41
Pages of publication	11805 - 11815
a	6.25716 ± 0.00007 Å
b	6.25716 Å
c	7.39742 ± 0.00018 Å
α	90°
β	90°
γ	90°
Cell volume	289.624 ± 0.008 Å³
Number of distinct elements	3
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
RFsqd	0.14903
Goodness-of-fit parameter for all reflections	1.46
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	Kα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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