Crystallography Open Database

Information card for entry 7701678

Preview

Coordinates	7701678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H76 Ba N4 O4 Si2
Calculated formula	C45 H76 Ba N4 O4 Si2
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	21.046 ± 0.003 Å
b	18.864 ± 0.002 Å
c	24.456 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	9709 ± 2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1696
Residual factor for significantly intense reflections	0.1495
Weighted residual factors for significantly intense reflections	0.3152
Weighted residual factors for all reflections included in the refinement	0.3255
Goodness-of-fit parameter for all reflections included in the refinement	1.253
Diffraction radiation probe	x-ray
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
223332 (current)	2019-11-05	cif/ Adding structures of 7701675, 7701676, 7701677, 7701678 via cif-deposit CGI script.	7701678.cif