Crystallography Open Database

Information card for entry 4343382

Preview

Coordinates	4343382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 N O4 Pt
Calculated formula	C23 H21 N O4 Pt
SMILES	[Pt]12(c3ccccc3c3cc(c4c(cccc4)[n]13)C(=O)OCC)OC(=CC(=[O]2)C)C
Title of publication	Phosphorescent, Cyclometalated Cinchophen-Derived Platinum Complexes: Syntheses, Structures, and Electronic Properties.
Authors of publication	Stacey, Oliver J.; Platts, James A.; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	13
Pages of publication	6528 - 6536
a	10.1757 ± 0.0004 Å
b	10.2522 ± 0.0003 Å
c	10.5639 ± 0.0002 Å
α	75.248 ± 0.002°
β	73.403 ± 0.003°
γ	69.265 ± 0.003°
Cell volume	973.14 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0317
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
154604 (current)	2015-09-06	cif/ Updating files of 4343382, 4343383, 4343384 Original log message: Adding full bibliography for 4343382--4343384.cif.	4343382.cif
139421	2015-06-20	cif/ Adding structures of 4343382, 4343383, 4343384 via cif-deposit CGI script.	4343382.cif