Crystallography Open Database

Information card for entry 1559241

Preview

Coordinates	1559241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H8 Co F18 O4 P
Calculated formula	C15 H8 Co F18 O4 P
SMILES	C(C(F)(F)F)(C(F)(F)F)O[P]([Co]1234(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
Title of publication	CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity
Authors of publication	Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko
Journal of publication	Catalysis Science & Technology
Year of publication	2020
Journal volume	10
Journal issue	23
Pages of publication	8005 - 8014
a	8.808 ± 0.0009 Å
b	11.2727 ± 0.0011 Å
c	11.4608 ± 0.0011 Å
α	87.2767 ± 0.0016°
β	86.0751 ± 0.0016°
γ	81.5105 ± 0.0016°
Cell volume	1122.03 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
260596 (current)	2021-01-07	cif/ Updating files of 1559240, 1559241, 1559242, 1559243, 1559244, 1559245 Original log message: Adding full bibliography for 1559240--1559245.cif.	1559241.cif
256965	2020-10-03	cif/ Adding structures of 1559240, 1559241, 1559242, 1559243, 1559244, 1559245 via cif-deposit CGI script.	1559241.cif