Crystallography Open Database

Information card for entry 7241581

Preview

Coordinates	7241581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 Cl N8 Na O10
Calculated formula	C14 H20 Cl N8 Na O10
Title of publication	Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline
Authors of publication	Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	2
Pages of publication	335 - 352
a	20.7314 ± 0.0007 Å
b	9.6579 ± 0.0003 Å
c	10.6217 ± 0.0004 Å
α	90°
β	92.531 ± 0.002°
γ	90°
Cell volume	2124.62 ± 0.13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
261617 (current)	2021-02-05	cif/ Updating files of 7241580, 7241581, 7241582 Original log message: Adding full bibliography for 7241580--7241582.cif.	7241581.cif
259317	2020-11-29	cif/ Adding structures of 7241580, 7241581, 7241582 via cif-deposit CGI script.	7241581.cif