Crystallography Open Database

Information card for entry 4072920

Preview

Coordinates	4072920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 N O Pt S
Calculated formula	C21 H23 N O Pt S
SMILES	[Pt]1(c2ccccc2c2[n]1cccc2)([S](=O)(C)C)c1cc(cc(c1)C)C
Title of publication	Monoarylplatinum(II) Complexes with a 2-Phenylpyridyl Ligand and Coordinated Solvent, [Pt(Ar)(Phpy)(solv)] (Phpy = 2-phenylpyridyl; solv = NCCH3, dmso). Preparation from [Pt(Ar)2(solv)2], Structures, and Chemical Properties
Authors of publication	Yagyu, Takeyoshi; Ohashi, Jun-ichi; Maeda, Masunobu
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	9
Pages of publication	2383
a	8.699 ± 0.002 Å
b	19.281 ± 0.003 Å
c	23.397 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3924.3 ± 1.3 Å³
Cell temperature	173.2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4072920.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072920.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072920.cif
46074	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072918, 4072919, 4072920, 4072921, 4072922, 4072923 via cif-deposit CGI script.	4072920.cif