Crystallography Open Database

Information card for entry 7201142

7201141 << 7201142 >> 7201143

Preview

Coordinates	7201142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 Cl4 N2 Pd
Calculated formula	C36 H48 Cl4 N2 Pd
SMILES	c1(C[N+](C)(Cc2ccc(cc2)C)C)ccc(cc1)C.[Pd](Cl)(Cl)([Cl-])[Cl-].[N+](C)(Cc1ccc(C)cc1)(Cc1ccc(C)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	15.791 ± 0.003 Å
b	11.54 ± 0.002 Å
c	18.86 ± 0.004 Å
α	90°
β	93.92 ± 0.03°
γ	90°
Cell volume	3428.8 ± 1.1 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7201142.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201142.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201142.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201142.cif