Crystallography Open Database

Information card for entry 7249609

Preview

Coordinates	7249609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 N4 O6 P2
Calculated formula	C10 H16 N4 O6 P2
Title of publication	Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4-aminopyridinium salts
Authors of publication	Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	48
Pages of publication	6861 - 6872
a	17.485 ± 0.003 Å
b	11.248 ± 0.002 Å
c	16.257 ± 0.003 Å
α	90°
β	101.7 ± 0.02°
γ	90°
Cell volume	3130.9 ± 1 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	5
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	0.1579
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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