Crystallography Open Database

Information card for entry 7029953

Preview

Coordinates	7029953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H38 Cl4 N4 O4 Pt2 S2
Calculated formula	C22 H38 Cl4 N4 O4 Pt2 S2
SMILES	[Pt](Cl)(Cl)([S](=O)(C)C)=C1N(C=CN1[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2N1C=CN(C1=[Pt](Cl)(Cl)[S](=O)(C)C)C(C)C)C(C)C
Title of publication	Chiral Ag(I) and Pt(II) complexes of ditopic NHC ligands: synthesis, structural and spectroscopic properties.
Authors of publication	Marshall, Paul; Jenkins, Robert L.; Clegg, William; Harrington, Ross W.; Callear, Samantha K.; Coles, Simon J.; Fallis, Ian A.; Dervisi, Athanasia
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	41
Pages of publication	12839 - 12846
a	19.248 ± 0.006 Å
b	19.248 ± 0.006 Å
c	23.08 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	8551 ± 6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.1457
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180005 (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 7/02/99.	7029953.cif
111041	2014-04-20	cif/ Adding structures of 7029951, 7029952, 7029953 via cif-deposit CGI script.	7029953.cif