Crystallography Open Database

Information card for entry 1567452

Preview

Coordinates	1567452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 Al2 Cl2 F63 O6
Calculated formula	C38 Al2 Cl2 F63 O6
Title of publication	Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation
Authors of publication	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	32
Pages of publication	9147 - 9158
a	14.514 ± 0.009 Å
b	10.566 ± 0.006 Å
c	18.161 ± 0.011 Å
α	90°
β	98.81 ± 0.03°
γ	90°
Cell volume	2752 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0542
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
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
277655 (current)	2022-09-06	cif/ Updating files of 1567449, 1567450, 1567451, 1567452, 1567453, 1567454, 1567455, 1567456, 1567457, 1567458 Original log message: Adding full bibliography for 1567449--1567458.cif.	1567452.cif
277193	2022-08-11	cif/ Adding structures of 1567449, 1567450, 1567451, 1567452, 1567453, 1567454, 1567455, 1567456, 1567457, 1567458 via cif-deposit CGI script.	1567452.cif