Crystallography Open Database

Information card for entry 7126455

Preview

Coordinates	7126455.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu(NaPF6.L1)]PF6
Chemical name	EI_0
Formula	C44 H82 Cl0 Cu2 F24 N4 Na2 O15 P4
Calculated formula	C44 H82 Cu2 F24 N4 Na2 O15 P4
Title of publication	Supramolecularly regulated copper-bisoxazoline catalysts for the efficient insertion of carbenoid species into hydroxyl bonds.
Authors of publication	Iniesta, Ester; Vidal-Ferran, Anton
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	47
Pages of publication	6364 - 6367
a	10.5906 ± 0.0005 Å
b	25.0689 ± 0.0013 Å
c	12.4435 ± 0.0006 Å
α	90°
β	92.9669 ± 0.0017°
γ	90°
Cell volume	3299.3 ± 0.3 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
253809 (current)	2020-07-06	cif/ Updating files of 7126454, 7126455, 7126456 Original log message: Adding full bibliography for 7126454--7126456.cif.	7126455.cif
251292	2020-04-30	cif/ Adding structures of 7126454, 7126455, 7126456 via cif-deposit CGI script.	7126455.cif