Crystallography Open Database

Information card for entry 7110254

Preview

Coordinates	7110254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H70 B2 Cl2 F8 P4 Pd2
Calculated formula	C80 H68 B2 F8 P4 Pd2
SMILES	[B](F)(F)(F)[F-].[CH]12[CH]3=[CH](C=C[CH]4=[CH]5[CH]=2[Pd]45([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)[Pd]13([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
Title of publication	Bis-cyclooctatetraene tripalladium sandwich complexes
Authors of publication	Tetsuro Murahashi; Seita Kimura; Kohei Takase; Tomohito Uemura; Sensuke Ogoshi; Koji Yamamoto
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	820
a	25.3856 ± 0.0012 Å
b	24.7751 ± 0.001 Å
c	11.8833 ± 0.0006 Å
α	90°
β	93.678 ± 0.001°
γ	90°
Cell volume	7458.4 ± 0.6 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1153
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.2067
Weighted residual factors for all reflections included in the refinement	0.2643
Goodness-of-fit parameter for all reflections included in the refinement	0.913
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180216 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/02.	7110254.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7110254.cif
93834	2014-01-15	cif/ Adding structures of 7110253, 7110254 via cif-deposit CGI script.	7110254.cif