Crystallography Open Database

Information card for entry 4083292

Preview

Coordinates	4083292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H76 P4 Pd2
Calculated formula	C52 H76 P4 Pd2
SMILES	[Pd]123[CH](=[CH]1c1c([P]([Pd]45[CH](=[CH]4c4c([P]3(C(C)C)C(C)C)cccc4)c3c([P]5(C(C)C)C(C)C)cccc3)(C(C)C)C(C)C)cccc1)c1c([P]2(C(C)C)C(C)C)cccc1
Title of publication	Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone
Authors of publication	Barrett, Brittany J.; Iluc, Vlad M.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	10
Pages of publication	2565
a	12.8344 ± 0.0011 Å
b	12.8344 ± 0.0011 Å
c	34.222 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5637.1 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
178721 (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 4/08/32.	4083292.cif
115877	2014-06-05	cif/ Updating files of 4083285, 4083286, 4083287, 4083288, 4083289, 4083290, 4083291, 4083292, 4083293 Original log message: Adding full bibliography for 4083285--4083293.cif.	4083292.cif
113766	2014-05-14	cif/ Adding structures of 4083285, 4083286, 4083287, 4083288, 4083289, 4083290, 4083291, 4083292, 4083293 via cif-deposit CGI script.	4083292.cif