Crystallography Open Database

Information card for entry 7024396

Preview

Coordinates	7024396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H29 Cl N6 Pd
Calculated formula	C16 H29 Cl N6 Pd
SMILES	[Pd]1(Cl)([N]2=C3N(CCCN3CCC2)CN2C3=[N]1CCCN3CCC2)C
Title of publication	Coordination of neutral, methylene bridged bis-guanidyls at palladium.
Authors of publication	Khalaf, Majid S.; Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	6
Pages of publication	1635 - 1642
a	10.9381 ± 0.0003 Å
b	11.6842 ± 0.0004 Å
c	14.1258 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1805.32 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0434
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
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
179948 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/43.	7024396.cif
92471	2014-01-12	cif/ Adding structures of 7024396, 7024397, 7024398, 7024399, 7024400 via cif-deposit CGI script.	7024396.cif