Crystallography Open Database

Information card for entry 4075829

Preview

Coordinates	4075829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H74 Cl6 N2 Pd2 Pt S4
Calculated formula	C52 H74 Cl6 N2 Pd2 Pt S4
SMILES	[Pt]12([N](Cc3c1ccc(c3)c1cc3c4[Pd](Cl)([S](C3)C(C)(C)C)[S](Cc4c1)C(C)(C)C)(C)C)[N](Cc1c2ccc(c1)c1cc2c3[Pd](Cl)([S](C2)C(C)(C)C)[S](Cc3c1)C(C)(C)C)(C)C.ClCCl.ClCCl
Title of publication	Functionalized Homolepticcis- andtrans-C,N-ortho-Chelated Aminoaryl Platinum(II) Complexes
Authors of publication	Amijs, Catelijne H. M.; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	12
Pages of publication	2944
a	11.0727 ± 0.0001 Å
b	17.2827 ± 0.0002 Å
c	18.1957 ± 0.0002 Å
α	86.1892 ± 0.0007°
β	79.81 ± 0.0008°
γ	82.8972 ± 0.0004°
Cell volume	3397.27 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
178647 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/58.	4075829.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075829.cif
50689	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075826, 4075827, 4075828, 4075829 via cif-deposit CGI script.	4075829.cif