Crystallography Open Database

Information card for entry 2101648

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Coordinates	2101648.cif
Original IUCr paper	HTML

Structure parameters

Formula	C4 H13.12 K0.72 N0.28 Na O10
Calculated formula	C4 H16 N Na O10
SMILES	[Na+].O=C([C@@H]([C@H](C(=O)[O-])O)O)[O-].O.O.O.[NH4+].O
Title of publication	Temperature dependence of crystal structure of NaK~0.72~(NH~4~)~0.28~(+)-C~4~H~4~O~6~.4H~2~O in the paraelectric phase
Authors of publication	Suzuki, E.; Kabasawa, H.; Honma, T.; Nozaki, R.; Shiozaki, Y.
Journal of publication	Acta Crystallographica Section B
Year of publication	1996
Journal volume	52
Journal issue	6
Pages of publication	976 - 981
a	11.955 ± 0.001 Å
b	14.317 ± 0.001 Å
c	6.231 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1066.5 ± 0.2 Å³
Cell temperature	293 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0392
Goodness-of-fit parameter for significantly intense reflections	0.92
Diffraction radiation wavelength	0.70926 Å
Diffraction radiation type	MoKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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