Crystallography Open Database

Information card for entry 7715510

Preview

Coordinates	7715510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 N4 O13 S2 Sr
Calculated formula	C26 H28 N4 O13 S2 Sr
Title of publication	Structural insight and <i>in silico</i> prediction of the pharmacokinetic parameters and toxicity of alkaline earth metal compounds strontium and barium with the non-steroidal anti-inflammatory drug nimesulide.
Authors of publication	Rybczyńska, Małgorzata; Sikorski, Artur
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	15
Pages of publication	6501 - 6506
a	34.835 ± 0.005 Å
b	7.2995 ± 0.0005 Å
c	14.2995 ± 0.0017 Å
α	90°
β	114.459 ± 0.017°
γ	90°
Cell volume	3309.7 ± 0.8 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1351
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
291642 (current)	2024-05-05	cif/ Updating files of 7715510, 7715511 Original log message: Adding full bibliography for 7715510--7715511.cif.	7715510.cif
290595	2024-03-22	cif/ Adding structures of 7715510, 7715511 via cif-deposit CGI script.	7715510.cif