Crystallography Open Database

Information card for entry 4088858

Preview

Coordinates	4088858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H53 Ag B Cl8 F O6 Os2 P4
Calculated formula	C48 H53 Ag B Cl8 F O6 Os2 P4
SMILES	[Os](C#[O])([P](C)(C)C)([Ag][Os]([P](C)(C)C)([P](C)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[P](C)(C)C.Clc1cc([B-](c2cc(Cl)cc(Cl)c2)(c2cc(Cl)cc(Cl)c2)c2cc(Cl)cc(Cl)c2)cc(Cl)c1.Fc1ccccc1
Title of publication	Metal-Only Lewis Pairs Based on Zerovalent Osmium
Authors of publication	Bissert, Robin; Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	15
Pages of publication	2567
a	16.844 ± 0.005 Å
b	16.981 ± 0.003 Å
c	21.462 ± 0.006 Å
α	90°
β	102.34 ± 0.02°
γ	90°
Cell volume	5997 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
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	0.0322
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.0503
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
237858 (current)	2019-11-24	cif/ Adding structures of 4088852, 4088853, 4088854, 4088855, 4088856, 4088857, 4088858 via cif-deposit CGI script.	4088858.cif