Crystallography Open Database

Information card for entry 4084991

Preview

Coordinates	4084991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 N Pd Si
Calculated formula	C24 H29 N Pd Si
SMILES	[Pd]12345(C[Si](c6ccccc6)(c6ccccc6)C[N]61CCCCC6)[cH]1[cH]3[cH]4[cH]5[cH]21
Title of publication	Structural Consequences of an Extreme Difference between theTransInfluence of the Donor Atoms in a Palladacycle
Authors of publication	Koller, Stephan G.; Martín-Romo, Raquel; Melero, José S.; Colquhoun, Victoria P.; Schildbach, Daniel; Strohmann, Carsten; Villafañe, Fernando
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	24
Pages of publication	7329
a	11.9477 ± 0.0002 Å
b	11.9477 ± 0.0002 Å
c	32.6793 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4664.89 ± 0.18 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0247
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
178738 (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 4/08/49.	4084991.cif
131469	2015-02-07	cif/ Updating files of 4084989, 4084990, 4084991 Original log message: Adding full bibliography for 4084989--4084991.cif.	4084991.cif
128455	2014-12-07	cif/ Adding structures of 4084989, 4084990, 4084991 via cif-deposit CGI script.	4084991.cif