Crystallography Open Database

Information card for entry 7247123

Preview

Coordinates	7247123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H41.5 K N10 O26.25 P4
Calculated formula	C20 H28 K N10 O26.25 P4
Title of publication	Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system
Authors of publication	Kaszubowski, Oskar; Ślepokura, Katarzyna
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	32
Pages of publication	4592 - 4603
a	26.352 ± 0.006 Å
b	10.99 ± 0.003 Å
c	6.7232 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1947.1 ± 0.8 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 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 all reflections	0.0834
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1868
Weighted residual factors for all reflections included in the refinement	0.2024
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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