Crystallography Open Database

Information card for entry 4513848

Preview

Coordinates	4513848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H33 Co N3 O4
Calculated formula	C23 H33 Co N3 O4
SMILES	C1CCC2c3cccc4C5CCC[N]=5[Co]5(OC(C(C)(C)C)=[O]5)([N]1=2)([n]34)OC(=O)C(C)(C)C
Title of publication	Bench-Stable, Substrate-Activated Cobalt Carboxylate Pre-Catalysts for Alkene Hydrosilylation with Tertiary Silanes
Authors of publication	Schuster, Christopher H.; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.
Journal of publication	ACS Catalysis
Year of publication	2016
Journal volume	6
Journal issue	4
Pages of publication	2632
a	8.9984 ± 0.0004 Å
b	21.6663 ± 0.0011 Å
c	12.2395 ± 0.0005 Å
α	90°
β	90.0826 ± 0.0017°
γ	90°
Cell volume	2386.24 ± 0.19 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1927
Weighted residual factors for all reflections included in the refinement	0.1987
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
181416 (current)	2016-04-04	cif/ Updating files of 4513848, 4513849 Original log message: Adding full bibliography for 4513848--4513849.cif.	4513848.cif
178364	2016-03-20	cif/ Adding structures of 4513848, 4513849 via cif-deposit CGI script.	4513848.cif