Crystallography Open Database

Information card for entry 4346818

Preview

Coordinates	4346818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H77 As2 K5.5 N3 O86 Rb2.5 Sb2 W19
Calculated formula	C27 H39 As2 K4.5 N3 O86 Rb2 Sb2 W19
Title of publication	19-Tungstodiarsenate(III) Functionalized by Organoantimony(III) Groups: Tuning the Structure-Bioactivity Relationship.
Authors of publication	Yang, Peng; Lin, Zhengguo; Alfaro-Espinoza, Gabriela; Ullrich, Matthias S.; Raţ, Ciprian I; Silvestru, Cristian; Kortz, Ulrich
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	1
Pages of publication	251 - 258
a	14.5872 ± 0.0015 Å
b	15.7411 ± 0.0017 Å
c	24.766 ± 0.003 Å
α	79.206 ± 0.006°
β	80.71 ± 0.005°
γ	77.719 ± 0.005°
Cell volume	5414.3 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
231999 (current)	2019-11-23	cif/ Adding structures of 4346818 via cif-deposit CGI script.	4346818.cif