Crystallography Open Database

Information card for entry 4348837

Preview

Coordinates	4348837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H41 Au N2 O8 Re2
Calculated formula	C41 H41 Au N2 O8 Re2
SMILES	[Au]1([Re]2([Re]1([c]12ccccc1)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis and Reactivity of Electronically Unsaturated Dirhenium Carbonyl Compounds Containing Bridging Gold-Carbene Groups.
Authors of publication	Adams, Richard D.; Dhull, Poonam; Rassolov, Vitaly; Wong, Yuen Onn
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	20
Pages of publication	10475 - 10483
a	12.5861 ± 0.0007 Å
b	20.5884 ± 0.0011 Å
c	16.689 ± 0.0009 Å
α	90°
β	90.488 ± 0.001°
γ	90°
Cell volume	4324.4 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
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	0.03
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
233421 (current)	2019-11-23	cif/ Adding structures of 4348837, 4348838, 4348839, 4348840, 4348841 via cif-deposit CGI script.	4348837.cif