Crystallography Open Database

Information card for entry 7232081

7232080 << 7232081 >> 7232082

Preview

Coordinates	7232081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 Cl N16 O21
Calculated formula	C24 H27 Cl N16 O21
Title of publication	Multicomponent crystals of nitrofurazone ‒ when more is less
Authors of publication	Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	7
Pages of publication	1091
a	7.9863 ± 0.0016 Å
b	14.566 ± 0.003 Å
c	16.208 ± 0.003 Å
α	77.88 ± 0.03°
β	80.9 ± 0.03°
γ	87.87 ± 0.03°
Cell volume	1820.2 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1408
Goodness-of-fit parameter for all reflections included in the refinement	0.964
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
223656 (current)	2019-11-07	cif/ Updating files of 7232079, 7232080, 7232081, 7232082, 7232083 Original log message: Adding full bibliography for 7232079--7232083.cif.	7232081.cif
212922	2019-01-11	cif/ Adding structures of 7232079, 7232080, 7232081, 7232082, 7232083 via cif-deposit CGI script.	7232081.cif