Crystallography Open Database

Information card for entry 7700527

Preview

Coordinates	7700527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H108 Bi9 Ir6 K3 N6 O24
Calculated formula	C60 H108 Bi9 Ir6 K3 N6 O24
Title of publication	[(η<sup>3</sup>-Bi<sub>3</sub>)<sub>2</sub>(IrCO)<sub>6</sub>(μ<sub>4</sub>-Bi)<sub>3</sub>]<sup>3-</sup>: a new archetype of a 15-vertex deltahedral hybrid from Bi<sub>x</sub><sup>x-</sup>-coordination aggregation of cationic [IrCO]<sup>+</sup> units.
Authors of publication	Li, Zhenyu; Liu, Caiping; Wu, Jie; Lin, Zian; Xu, Li
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	32
Pages of publication	12013 - 12017
a	18.559 ± 0.0009 Å
b	18.559 ± 0.0009 Å
c	52.256 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	15587.5 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
223911 (current)	2019-11-07	cif/ Updating files of 7700527 Original log message: Adding full bibliography for 7700527.cif.	7700527.cif
216992	2019-07-13	cif/ Adding structures of 7700527 via cif-deposit CGI script.	7700527.cif