Crystallography Open Database

Information card for entry 7201138

7201137 << 7201138 >> 7201139

Preview

Coordinates	7201138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 Cl6 N2 Pd2
Calculated formula	C36 H48 Cl6 N2 Pd2
SMILES	[N+](C)(C)(Cc1ccc(cc1)C)Cc1ccc(cc1)C.Cl[Pd]1(Cl)[Cl][Pd](Cl)(Cl)[Cl]1.[N+](C)(C)(Cc1ccc(cc1)C)Cc1ccc(cc1)C
Title of publication	The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts
Authors of publication	Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	11
Pages of publication	2344
a	9.494 ± 0.0019 Å
b	15.26 ± 0.003 Å
c	13.493 ± 0.003 Å
α	90°
β	99.13 ± 0.03°
γ	90°
Cell volume	1930.1 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
180342 (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 7/20/11.	7201138.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201138.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201138.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201138.cif