Crystallography Open Database

Information card for entry 7110253

Preview

Coordinates	7110253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 B2 F8 O2 Pd3
Calculated formula	C22 H22 B2 F8 O2 Pd3
SMILES	[Pd]123456[Pd]789%10([Pd]%11%12%13%14([CH]%15=[CH]8[CH]7=[CH]3[CH]2=[CH]1[CH]%12=[CH]%11%15)[CH]1=[CH]%10[CH]9=[CH]6[CH]5=[CH]4[CH]%14=[CH]%131)[OH2].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O.c1ccccc1
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	10.0392 ± 0.0006 Å
b	16.3516 ± 0.001 Å
c	14.6824 ± 0.0008 Å
α	90°
β	93.4204 ± 0.0016°
γ	90°
Cell volume	2405.9 ± 0.2 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	7110253.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7110253.cif
93834	2014-01-15	cif/ Adding structures of 7110253, 7110254 via cif-deposit CGI script.	7110253.cif