Crystallography Open Database

Information card for entry 4333818

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Structure parameters

Formula	C12 H18 Cl N3 O3 Pt S
Calculated formula	C12 H18 Cl N3 O3 Pt S
SMILES	[Pt]12([n]3c(c4[n]1cccc4)cccc3)[NH2]CCS2=O.[Cl-].O.O
Title of publication	Sequential Photooxidation of a Pt(II) (Diimine)cysteamine Complex: Intermolecular Oxygen Atom Transfer versus Sulfinate Formation
Authors of publication	Dong Zhang; Ye Bin; Lorillee Tallorin; Florence Tse; Blanca Hernandez; Errol V. Mathias; Timothy Stewart; Robert Bau; Matthias Selke
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1676 - 1678
a	11.9802 ± 0.0016 Å
b	17.8 ± 0.002 Å
c	7.1567 ± 0.001 Å
α	90°
β	95.955 ± 0.002°
γ	90°
Cell volume	1517.9 ± 0.3 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	7
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	0.0228
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0461
Weighted residual factors for all reflections included in the refinement	0.0469
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4333818.cif
179441	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/38.	4333818.cif
99626	2014-02-03	cif/ Adding structures of 4333818 via cif-deposit CGI script.	4333818.cif