Crystallography Open Database

Information card for entry 7130282

Preview

Coordinates	7130282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H47 Al Ir2 O
Calculated formula	C32 H47 Al Ir2 O
SMILES	[Ir]1234([Al]([Ir]5678[c]9([c]5([c]6([c]7([c]89C)C)C)C)C)Oc5c(cccc5C(C)C)C(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
Title of publication	Highly Dispersed Silica-Supported Iridium and Iridium-Aluminium Catalysts for Methane Activation Prepared via Surface Organometallic Chemistry
Authors of publication	Escomel, Léon; Abbott, Dan; Mougel, Victor; Veyre, Laurent; Thieuleux, Chloe; Camp, Clément
Journal of publication	Chemical Communications
Year of publication	2022
a	8.876 ± 0.0005 Å
b	20.4157 ± 0.0009 Å
c	18.432 ± 0.0009 Å
α	90°
β	93.526 ± 0.004°
γ	90°
Cell volume	3333.7 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1013
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1824
Weighted residual factors for all reflections included in the refinement	0.2096
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation probe	x-ray
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
276261 (current)	2022-06-25	cif/ Adding structures of 7130282 via cif-deposit CGI script.	7130282.cif