Crystallography Open Database

Information card for entry 7201676

7201675 << 7201676 >> 7201677

Preview

Coordinates	7201676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H28 B F4 N3 Pd
Calculated formula	C15 H28 B F4 N3 Pd
SMILES	[Pd]12([N](CC[N]1(C)C)(C)C)[NH2][C@H](c1c2cc(cc1)C)C.[B](F)(F)(F)[F-]
Title of publication	A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions
Authors of publication	Kalf, Irmgard; Wang, Ruimin; Englert, Ulli
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	1
Pages of publication	39
a	10.824 ± 0.003 Å
b	12.23 ± 0.003 Å
c	14.106 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1867.3 ± 0.8 Å³
Cell temperature	278 ± 2 K
Ambient diffraction temperature	278 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0829
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
180347 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/16.	7201676.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201676.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201676.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7201676.cif