Crystallography Open Database

Information card for entry 4082457

Preview

Coordinates	4082457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H38 B F4 N P2 Pd
Calculated formula	C17 H38 B F4 N P2 Pd
Title of publication	Nickel(II) and Palladium(II) Complexes of the Small-Bite-Angle P-Stereogenic Diphosphine Ligand MaxPHOS and Its Monosulfide
Authors of publication	Grabulosa, Arnald; Doran, Séan; Brandariz, Guillem; Muller, Guillermo; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	3
Pages of publication	692
a	10.4941 ± 0.0005 Å
b	15.5535 ± 0.0007 Å
c	14.7277 ± 0.0007 Å
α	90°
β	101.492 ± 0.002°
γ	90°
Cell volume	2355.66 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1487
Weighted residual factors for all reflections included in the refinement	0.1553
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
178713 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/24.	4082457.cif
104409	2014-03-11	cif/ Adding structures of 4082455, 4082456, 4082457, 4082458, 4082459 via cif-deposit CGI script.	4082457.cif