Crystallography Open Database

Information card for entry 7125668

Preview

Coordinates	7125668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.01 H62.56 Cl0.94 N6 O24.27 S0.27
Calculated formula	C85.007 H62.55 Cl0.942 N6 O24.268 S0.268
Title of publication	Tuning the allosteric sequestration of anticancer drugs for developing cooperative nano-antidotes.
Authors of publication	Wang, Weikun; Finnegan, Tyler J.; Lei, Zhiquan; Zhu, Xingrong; Moore, Curtis E.; Shi, Kejia; Badjić, Jovica D
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	8
Pages of publication	1271 - 1274
a	13.0085 ± 0.0006 Å
b	24.5621 ± 0.001 Å
c	16.7777 ± 0.0007 Å
α	90°
β	92.839 ± 0.002°
γ	90°
Cell volume	5354.2 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1042
Residual factor for significantly intense reflections	0.0879
Weighted residual factors for significantly intense reflections	0.2481
Weighted residual factors for all reflections included in the refinement	0.2844
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation probe	x-ray
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
247578 (current)	2020-02-04	cif/ Updating files of 7125668 Original log message: Adding full bibliography for 7125668.cif.	7125668.cif
245293	2019-12-18	cif/ Adding structures of 7125668 via cif-deposit CGI script.	7125668.cif