Crystallography Open Database

Information card for entry 7024397

Preview

Coordinates	7024397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H52 Cl2 F6 N12 O6 Pd2 S2
Calculated formula	C32 H52 Cl2 F6 N12 O6 Pd2 S2
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	10.5796 ± 0.0002 Å
b	10.6367 ± 0.0004 Å
c	19.9015 ± 0.0006 Å
α	90°
β	95.81 ± 0.002°
γ	90°
Cell volume	2228.05 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.0766
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1687
Weighted residual factors for all reflections included in the refinement	0.1763
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7024397.cif
92471	2014-01-12	cif/ Adding structures of 7024396, 7024397, 7024398, 7024399, 7024400 via cif-deposit CGI script.	7024397.cif