Crystallography Open Database

Information card for entry 1568134

Preview

Coordinates	1568134.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Th{[(μ-H2)(H)IrCp]2[(μ-H)3IrCp]2}
Formula	C40 H60 Ir4 Th
Calculated formula	C40 H60 Ir4 Th
SMILES	[Th]([Ir]1234[c]5([c]2([c]1([c]4([c]35C)C)C)C)C)([Ir]1234[c]5([c]1([c]2([c]3(C)[c]45C)C)C)C)([Ir]1234[c]5(C)[c]2([c]1([c]4([c]35C)C)C)C)[Ir]1234[c]5([c]2([c]3([c]1([c]45C)C)C)C)C
Title of publication	A versatile strategy for the formation of hydride-bridged actinide-iridium multimetallics.
Authors of publication	Ye, Christopher Z.; Del Rosal, Iker; Boreen, Michael A.; Ouellette, Erik T.; Russo, Dominic R.; Maron, Laurent; Arnold, John; Camp, Clément
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	4
Pages of publication	861 - 868
a	13.6424 ± 0.0017 Å
b	19.07 ± 0.002 Å
c	17.52 ± 0.002 Å
α	90°
β	102.339 ± 0.006°
γ	90°
Cell volume	4452.7 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1052
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.175
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.7288 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283156 (current)	2023-05-05	cif/ Updating files of 1568133, 1568134, 1568135 Original log message: Adding full bibliography for 1568133--1568135.cif.	1568134.cif
279935	2022-12-20	cif/ Adding structures of 1568133, 1568134, 1568135 via cif-deposit CGI script.	1568134.cif