Crystallography Open Database

Information card for entry 7701677

Preview

Coordinates	7701677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H62 Ba N3 O4 P
Calculated formula	C49 H62 Ba N3 O4 P
Title of publication	Barium complexes with crown-ether-functionalised amidinate and iminoanilide ligands for the hydrophosphination of vinylarenes.
Authors of publication	Le Coz, Erwann; Roueindeji, Hanieh; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	25
Pages of publication	9173 - 9180
a	14.4189 ± 0.0015 Å
b	17.878 ± 0.002 Å
c	18.9056 ± 0.0019 Å
α	90°
β	108.664 ± 0.003°
γ	90°
Cell volume	4617.2 ± 0.8 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.0497
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation probe	x-ray
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
223332 (current)	2019-11-05	cif/ Adding structures of 7701675, 7701676, 7701677, 7701678 via cif-deposit CGI script.	7701677.cif