Crystallography Open Database

Information card for entry 4067792

Preview

Coordinates	4067792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H19 N3 O2 Pt
Calculated formula	C26 H19 N3 O2 Pt
SMILES	[Pt]12(c3ccccc3c3[n]1c(cc(c3)C(=O)OCC)c1c2cccc1)[n]1ccc(cc1)C#N
Title of publication	New C∧N∧C Bis-Cyclometalated Platinum(II) Complexes: Synthesis, Structures, and Photophysical Properties
Authors of publication	Fuertes, Sara; Brayshaw, Simon K.; Raithby, Paul R.; Schiffers, Stephanie; Warren, Mark R.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	1
Pages of publication	105
a	10.5452 ± 0.0002 Å
b	7.3885 ± 0.0001 Å
c	27.6064 ± 0.0005 Å
α	90°
β	100.074 ± 0.002°
γ	90°
Cell volume	2117.74 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.035
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
178568 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/77.	4067792.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067792.cif
37983	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4067785, 4067786, 4067787, 4067788, 4067789, 4067790, 4067791, 4067792, 4067793 via cif-deposit CGI script.	4067792.cif