Crystallography Open Database

Information card for entry 7127750

Preview

Coordinates	7127750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Ca N2 O12 S2
Calculated formula	C18 H16 Ca N2 O12 S2
Title of publication	Ultrastable radical-doped coordination compounds with antimicrobial activity against antibiotic-resistant bacteria.
Authors of publication	Ke, Hua; Hu, Fen; Meng, Lingyi; Chen, Qi-Hua; Lai, Qian-Sheng; Li, Ze-Chen; Huang, Ze-Long; Liao, Jian-Zhen; Qiu, Jian-Ding; Lu, Can-Zhong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	92
Pages of publication	14353 - 14356
a	8.8177 ± 0.0003 Å
b	28.7454 ± 0.0007 Å
c	8.9688 ± 0.0003 Å
α	90°
β	108.766 ± 0.003°
γ	90°
Cell volume	2152.46 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.068
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.155
Weighted residual factors for all reflections included in the refinement	0.1681
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260467 (current)	2021-01-04	cif/ Adding structures of 7127749, 7127750 via cif-deposit CGI script.	7127750.cif