Crystallography Open Database

Information card for entry 7246911

Preview

Coordinates	7246911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H20 N4 O10 P3
Calculated formula	C10 H20 N4 O10 P3
Title of publication	Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system
Authors of publication	Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	26
Pages of publication	3826 - 3836
a	9.641 ± 0.002 Å
b	9.739 ± 0.002 Å
c	11.262 ± 0.002 Å
α	97.39 ± 0.02°
β	101.51 ± 0.02°
γ	113.55 ± 0.02°
Cell volume	924 ± 0.4 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1255
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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