Crystallography Open Database

Information card for entry 4079968

Preview

Coordinates	4079968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H35 B N2 O2 Pt
Calculated formula	C36 H35 B N2 O2 Pt
SMILES	[Pt]12(c3ccc(B(c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)cc3c3[n]1cccc3)OC(=O)c1[n]2ccc(c1)C
Title of publication	Impact of a Picolinate Ancillary Ligand on Phosphorescence and Fluoride Sensing Properties of BMes2-Functionalized Platinum(II) Compounds
Authors of publication	Ko, Soo-Byung; Lu, Jia-Sheng; Kang, Youngjin; Wang, Suning
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	2
Pages of publication	599
a	8.629 ± 0.005 Å
b	13.934 ± 0.009 Å
c	14.256 ± 0.008 Å
α	111.266 ± 0.008°
β	94.36 ± 0.006°
γ	107.869 ± 0.005°
Cell volume	1486 ± 1.5 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	0.0834
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1886
Weighted residual factors for all reflections included in the refinement	0.1984
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
178688 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/99.	4079968.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079968.cif
74113	2013-02-21	cif/ Adding structures of 4079968 via cif-deposit CGI script.	4079968.cif