Crystallography Open Database

Information card for entry 7048286

Preview

Coordinates	7048286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H34 B10 Cl3 N P2 Pd
Calculated formula	C27.5 H34 B10 Cl3 N P2 Pd
Title of publication	Electronic versus steric control in palladium complexes of carboranyl phosphine-iminophosphorane ligands.
Authors of publication	Rodríguez-Rey, José Luis; Esteban-Gómez, David; Platas-Iglesias, Carlos; Sousa-Pedrares, Antonio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	2
Pages of publication	486 - 503
a	16.5388 ± 0.0016 Å
b	15.5576 ± 0.0014 Å
c	26.972 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6940 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1124
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
224139 (current)	2019-11-07	cif/ Updating files of 7048284, 7048285, 7048286, 7048287, 7048288, 7048289 Original log message: Adding full bibliography for 7048284--7048289.cif.	7048286.cif
212271	2018-12-01	cif/ Adding structures of 7048284, 7048285, 7048286, 7048287, 7048288, 7048289 via cif-deposit CGI script.	7048286.cif