Crystallography Open Database

Information card for entry 4082459

Preview

Coordinates	4082459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H63 B Cl2 F4 N2 P4 Pd S2
Calculated formula	C27 H63 B Cl2 F4 N2 P4 Pd S2
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	10.7736 ± 0.0008 Å
b	17.6502 ± 0.0013 Å
c	21.3183 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4053.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
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	0.0363
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	4082459.cif
104409	2014-03-11	cif/ Adding structures of 4082455, 4082456, 4082457, 4082458, 4082459 via cif-deposit CGI script.	4082459.cif