Crystallography Open Database

Information card for entry 4519111

4519110 << 4519111 >> 4519112

Preview

Coordinates	4519111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H8 Cl2 O12 Os3 S
Calculated formula	C18 H8 Cl2 O12 Os3 S
SMILES	[OsH]12([Os]([Os]1(C#[O])(C#[O])(C#[O])C#[O])([S]2c1ccc(cc1)C(=O)O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].ClCCl
Title of publication	Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies
Authors of publication	Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee
Journal of publication	ACS Omega
Year of publication	2021
Journal volume	6
Journal issue	43
Pages of publication	29045 - 29053
a	8.4854 ± 0.0005 Å
b	12.0178 ± 0.0006 Å
c	12.884 ± 0.0007 Å
α	81.639 ± 0.003°
β	77.714 ± 0.003°
γ	76.102 ± 0.003°
Cell volume	1240.01 ± 0.12 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
270251 (current)	2021-11-03	cif/ Adding structures of 4519111 via cif-deposit CGI script.	4519111.cif