Crystallography Open Database

Information card for entry 7031533

Preview

Coordinates	7031533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 F6 N2 O4 Pd2
Calculated formula	C20 H20 F6 N2 O4 Pd2
Title of publication	A kinetico-mechanistic study on the C-H bond activation of primary benzylamines; cooperative and solid-state cyclopalladation on dimeric complexes.
Authors of publication	Font, Helena; Font-Bardia, Mercè; Gómez, Kerman; González, Gabriel; Granell, Jaume; Macho, Israel; Martínez, Manuel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	36
Pages of publication	13525 - 13536
a	9.8749 ± 0.001 Å
b	11.7989 ± 0.0011 Å
c	19.907 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2319.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0549
Weighted residual factors for all reflections included in the refinement	0.0588
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
180021 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/15.	7031533.cif
123454	2014-09-08	cif/ Updating files of 7031532, 7031533 Original log message: Adding full bibliography for 7031532--7031533.cif.	7031533.cif
118925	2014-07-03	cif/ Adding structures of 7031532, 7031533 via cif-deposit CGI script.	7031533.cif