Crystallography Open Database

Information card for entry 7247125

Preview

Coordinates	7247125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H41.5 K N10 O26.25 P4
Calculated formula	C20 H41.512 K N10 O26.256 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	25.939 ± 0.004 Å
b	11.003 ± 0.002 Å
c	13.505 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3854.4 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286101 (current)	2023-09-05	cif/ Updating files of 7247122, 7247123, 7247124, 7247125, 7247126 Original log message: Adding full bibliography for 7247122--7247126.cif.	7247125.cif
285428	2023-08-03	cif/ Adding structures of 7247122, 7247123, 7247124, 7247125, 7247126 via cif-deposit CGI script.	7247125.cif