Crystallography Open Database

Information card for entry 7242793

Preview

Coordinates	7242793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H48 Co7 N10 O20 S5
Calculated formula	C29 H48 Co7 N10 O20 S5
Title of publication	How to identify a smoker: a salient crystallographic approach to detect thiocyanate content
Authors of publication	Iman, Khushboo; Ahamad, M. Naqi; Monika,; Ansari, Azaj; Saleh, Hatem A. M.; Khan, M. Shahnawaz; Ahmad, Musheer; Haque, Rosenani A.; Shahid, M.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	28
Pages of publication	16881 - 16891
a	10.4453 ± 0.0005 Å
b	22.5325 ± 0.0009 Å
c	22.4558 ± 0.001 Å
α	90°
β	91.003 ± 0.002°
γ	90°
Cell volume	5284.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0639
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
265054 (current)	2021-05-08	cif/ Adding structures of 7242791, 7242792, 7242793 via cif-deposit CGI script.	7242793.cif