Crystallography Open Database

Information card for entry 7247126

Preview

Coordinates	7247126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H18 K N5 O12 P2
Calculated formula	C10 H18 K N5 O12 P2
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	28.31 ± 0.005 Å
b	10.412 ± 0.002 Å
c	6.2855 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1852.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0392
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7247126.cif
285428	2023-08-03	cif/ Adding structures of 7247122, 7247123, 7247124, 7247125, 7247126 via cif-deposit CGI script.	7247126.cif