Crystallography Open Database

Information card for entry 4107985

Preview

Coordinates	4107985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 B2 F8 N3 Pd3
Calculated formula	C20 H23 B2 F8 N3 Pd3
SMILES	[Pd]12345([Pd]6789%10([Pd]%11%12%131([N]#CC)([cH]1[cH]%11[cH]7[cH]6[cH]3[cH]2[cH]%121)[cH]1[cH]%10[cH]9[cH]8[cH]5[cH]4[cH]%131)[N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
Title of publication	Reductive Coupling of Metal Triangles in Sandwich Complexes
Authors of publication	Tetsuro Murahashi; Yasuhiro Hashimoto; Koji Chiyoda; Mayu Fujimoto; Tomohito Uemura; Ryou Inoue; Sensuke Ogoshi; Hideo Kurosawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	8586 - 8587
a	12.7984 ± 0.0006 Å
b	10.5976 ± 0.0004 Å
c	18.0009 ± 0.0007 Å
α	90°
β	97.784 ± 0.0014°
γ	90°
Cell volume	2419.01 ± 0.17 Å³
Cell temperature	296.1 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	0.0374
Weighted residual factors for all reflections included in the refinement	0.0436
Goodness-of-fit parameter for all reflections included in the refinement	4.031
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4107985.html