Crystallography Open Database

Information card for entry 4079967

Preview

Coordinates	4079967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H33 B N2 O2 Pt
Calculated formula	C35 H33 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]2cccc1
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	8.3893 ± 0.0004 Å
b	41.705 ± 0.002 Å
c	9.1621 ± 0.0005 Å
α	90°
β	93.116 ± 0.001°
γ	90°
Cell volume	3200.9 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
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	0.0427
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0663
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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.	4079967.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079967.cif
74112	2013-02-21	cif/ Adding structures of 4079967 via cif-deposit CGI script.	4079967.cif