Crystallography Open Database

Information card for entry 4503220

Preview

Coordinates	4503220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Cl N O Pt S
Calculated formula	C14 H16 Cl N O Pt S
SMILES	[Pt]1([S]2CCCC2)(Oc2cccc3ccc([n]1c23)C)Cl
Title of publication	The Aggregations and Strong Emissions of d8 and d10 Metal‒8-Hydroxyquinaldine Complexes
Authors of publication	Yue, Chengyang; Jiang, Feilong; Xu, Ying; Yuan, Daqiang; Chen, Lian; Yan, Chunfeng; Hong, Maochun
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	8
Pages of publication	2721 - 2728
a	10.9724 ± 0.0005 Å
b	9.1655 ± 0.0005 Å
c	29.1477 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2931.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
211131 (current)	2018-09-23	cif/4/ Updating bibliography in entries 4503216-4503220, 4511224. Marking entry 4511224 as a duplicate of entry 4503218.	4503220.cif
179563	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/32.	4503220.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503220.cif
41425	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503220 via cif-deposit CGI script.	4503220.cif