Crystallography Open Database

Information card for entry 1515760

Preview

Coordinates	1515760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H46 Cl4 N2 O0 Pt
Calculated formula	C56 H46 Cl4 N2 Pt
SMILES	[Pt]1([n]2c(c3[n]1ccc(c3)C(C)(C)C)cc(cc2)C(C)(C)C)(C#Cc1ccc2ccc3cccc4ccc1c2c34)C#Cc1ccc2ccc3cccc4ccc1c2c34.ClCCl.ClCCl
Title of publication	Long-lived emissive intra-ligand triplet excited states (3IL): next generation luminescent oxygen sensing scheme and a case study with red phosphorescent diimine Pt(II) bis(acetylide) complexes containing ethynylated naphthalimide or pyrene subunits.
Authors of publication	Guo, Huimin; Ji, Shaomin; Wu, Wanhua; Wu, Wenting; Shao, Jingyin; Zhao, Jianzhang
Journal of publication	The Analyst
Year of publication	2010
Journal volume	135
Journal issue	11
Pages of publication	2832 - 2840
a	12.6641 ± 0.0015 Å
b	14.2389 ± 0.0017 Å
c	14.7922 ± 0.0017 Å
α	66.344 ± 0.001°
β	72.791 ± 0.002°
γ	85.566 ± 0.002°
Cell volume	2331.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515760.cif
112071	2014-04-29	cif/ Adding structures of 1515760 via cif-deposit CGI script.	1515760.cif