Crystallography Open Database

Information card for entry 4079859

Preview

Coordinates	4079859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 F6 N3 P Pt
Calculated formula	C25 H18 F6 N3 P Pt
Title of publication	Luminescent Pincer-Type Cyclometalated Platinum(II) Complexes with Auxiliary Isocyanide Ligands: Phase-Transfer Preparation, Solvatomorphism, and Self-Aggregation
Authors of publication	Chen, Yong; Lu, Wei; Che, Chi-Ming
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	1
Pages of publication	350
a	6.8422 ± 0.0003 Å
b	24.1071 ± 0.0012 Å
c	15.0351 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2480 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	46
Hermann-Mauguin space group symbol	I m a 2
Hall space group symbol	I 2 -2a
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.1993
Weighted residual factors for all reflections included in the refinement	0.2009
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178687 (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 4/07/98.	4079859.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079859.cif
74086	2013-02-21	cif/ Adding structures of 4079859 via cif-deposit CGI script.	4079859.cif