Crystallography Open Database

Information card for entry 7201686

7201685 << 7201686 >> 7201687

Preview

Coordinates	7201686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H26 F3 N3 O3 Pd S
Calculated formula	C15 H26 F3 N3 O3 Pd S
SMILES	[Pd]12([NH2][C@@H](c3c2cccc3)C)[N](CC[N]1(C)C)(C)C.S(=O)(=O)([O-])C(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	11.6452 ± 0.0013 Å
b	14.3172 ± 0.0013 Å
c	12.0277 ± 0.0013 Å
α	90°
β	96.018 ± 0.004°
γ	90°
Cell volume	1994.3 ± 0.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0928
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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.	7201686.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201686.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201686.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.	7201686.cif