Crystallography Open Database

Information card for entry 4110665

Preview

Coordinates	4110665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C161 H122 Cl18 N4 P4 Pt4
Calculated formula	C161 H122 Cl18 N4 P4 Pt4
SMILES	[Pt]12([P](C[P]([Pt]34c5c(c6[n]3c(ccc6)c3c4cc4c(c3)cccc4)cc3c(c5)cccc3)(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)[n]3c(c4c1cc1c(c4)cccc1)cccc3c1c2cc2c(c1)cccc2.C(Cl)(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.C(CCC)C
Title of publication	Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands
Authors of publication	Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	8297 - 8309
a	19.297 ± 0.004 Å
b	20.031 ± 0.004 Å
c	22.204 ± 0.004 Å
α	84.07 ± 0.03°
β	64.23 ± 0.03°
γ	72.66 ± 0.03°
Cell volume	7374 ± 3 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 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	0.0995
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1539
Weighted residual factors for all reflections included in the refinement	0.1708
Goodness-of-fit parameter for all reflections included in the refinement	0.908
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
178877 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/06.	4110665.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110665.cif
59481	2012-06-12	cif/ Adding structures of 4110665 via cif-deposit CGI script.	4110665.cif