Crystallography Open Database

Information card for entry 7026894

Preview

Coordinates	7026894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 N Pt S
Calculated formula	C20 H21 N Pt S
SMILES	[Pt]1(c2c(c3[n]1cccc3)cccc2)([S](C)C)c1ccc(cc1)C
Title of publication	Cyclometalated organoplatinum(II) complexes: first example of a monodentate benzo[h]quinolyl ligand and a complex with bridging bis(diphenylphosphino)ethane.
Authors of publication	Haghighi, Mohsen Golbon; Rashidi, Mehdi; Nabavizadeh, S. Masoud; Jamali, Sirous; Puddephatt, Richard J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	47
Pages of publication	11396 - 11402
a	9.9851 ± 0.0006 Å
b	9.4255 ± 0.0005 Å
c	18.8056 ± 0.0011 Å
α	90°
β	97.461 ± 0.003°
γ	90°
Cell volume	1754.9 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0368
Weighted residual factors for all reflections included in the refinement	0.0386
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179974 (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 7/02/68.	7026894.cif
93631	2014-01-13	cif/ Adding structures of 7026894, 7026895, 7026896 via cif-deposit CGI script.	7026894.cif