Crystallography Open Database

Information card for entry 4513849

Preview

Coordinates	4513849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H35 Co N3 O5
Calculated formula	C21 H35 Co N3 O5
SMILES	CC1c2cccc3C(C)=[N](C)[Co]4(OC(C(C)(C)C)=[O]4)([N]=1C)([n]23)OC(=O)C(C)(C)C.O
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	8.9806 ± 0.0004 Å
b	29.3177 ± 0.0012 Å
c	8.8612 ± 0.0004 Å
α	90°
β	97.9533 ± 0.0014°
γ	90°
Cell volume	2310.63 ± 0.17 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	0.0304
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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.	4513849.cif
178364	2016-03-20	cif/ Adding structures of 4513848, 4513849 via cif-deposit CGI script.	4513849.cif