Crystallography Open Database

Information card for entry 7216245

Preview

Coordinates	7216245.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	disodium guanosine-5-phosphate heptahydrate
Formula	C10 H26 N5 Na2 O15 P
Calculated formula	C10 H26 N5 Na2 O15 P
SMILES	P(=O)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(nc23)N)[C@H](O)[C@@H]1O)([O-])[O-].[Na+].[Na+].O.O.O.O.O.O.O
Title of publication	Dynamics of water molecules and sodium ions in solid hydrates of nucleotides
Authors of publication	Dračínský, Martin; Šála, Michal; Hodgkinson, Paul
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	29
Pages of publication	6756
a	9.0139 ± 0.0003 Å
b	21.2524 ± 0.0008 Å
c	22.2753 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4267.2 ± 0.3 Å³
Cell temperature	120 ± 0.2 K
Ambient diffraction temperature	120 ± 0.2 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	0.116
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.1792
Weighted residual factors for all reflections included in the refinement	0.2118
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180493 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/62.	7216245.cif
119413	2014-07-07	cif/ Updating files of 7216245 Original log message: Adding full bibliography for 7216245.cif.	7216245.cif
115051	2014-06-02	cif/ Adding structures of 7216245 via cif-deposit CGI script.	7216245.cif