Crystallography Open Database

Information card for entry 7048287

Preview

Coordinates	7048287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H78 B20 Cl8 N2 P4 Pd2
Calculated formula	C68 H78 B20 Cl8 N2 P4 Pd2
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	9.6471 ± 0.0008 Å
b	20.3872 ± 0.0016 Å
c	20.3717 ± 0.0015 Å
α	90°
β	100.521 ± 0.003°
γ	90°
Cell volume	3939.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0576
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
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.	7048287.cif
212271	2018-12-01	cif/ Adding structures of 7048284, 7048285, 7048286, 7048287, 7048288, 7048289 via cif-deposit CGI script.	7048287.cif