Crystallography Open Database

Information card for entry 7713247

Preview

Coordinates	7713247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 O5 Sb2
Calculated formula	C36 H44 O5 Sb2
SMILES	[Sb]123(O[C@H]([C@@H]([O]2[Sb]2([O]1[C@H]([C@@H](O2)C)C)(O3)(c1ccc(C)cc1)c1ccc(cc1)C)C)C)(c1ccc(cc1)C)c1ccc(cc1)C
Title of publication	Models of the putative antimony(V)-diolate motifs in antileishmanial pentavalent antimonial drugs.
Authors of publication	Lindquist-Kleissler, Brent; Johnstone, Timothy C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	12.1755 ± 0.0001 Å
b	13.5809 ± 0.0002 Å
c	20.669 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3417.71 ± 0.08 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
284608 (current)	2023-06-29	cif/ Adding structures of 7713246, 7713247, 7713248, 7713249, 7713250, 7713251, 7713252, 7713253 via cif-deposit CGI script.	7713247.cif