Crystallography Open Database

Information card for entry 1567454

Preview

Coordinates	1567454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 Al F36 I3 O10 Ru2
Calculated formula	C21.675 Al F36 I3 O10 Ru2
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	18.581 ± 0.003 Å
b	13.756 ± 0.002 Å
c	16.816 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4298.2 ± 1.2 Å³
Cell temperature	109 ± 2 K
Ambient diffraction temperature	109 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.193
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.	1567454.cif
277193	2022-08-11	cif/ Adding structures of 1567449, 1567450, 1567451, 1567452, 1567453, 1567454, 1567455, 1567456, 1567457, 1567458 via cif-deposit CGI script.	1567454.cif