Crystallography Open Database

Information card for entry 4317274

Preview

Coordinates	4317274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H13 Cl F2 N2 Pt
Calculated formula	C24 H13 Cl F2 N2 Pt
SMILES	[Pt]12(c3c(c4[n]1ccc1ccccc41)c(F)cc(F)c3c1[n]2ccc2ccccc12)Cl
Title of publication	Facile Synthesis and Characterization of Phosphorescent Pt(N^C^N)X Complexes
Authors of publication	Zixing Wang; Eric Turner; Vanessa Mahoney; Sijesh Madakuni; Thomas Groy; Jian Li
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	11276 - 11286
a	7.7675 ± 0.0012 Å
b	10.9813 ± 0.0017 Å
c	11.7112 ± 0.0018 Å
α	83.038 ± 0.003°
β	71.048 ± 0.002°
γ	75.31 ± 0.002°
Cell volume	913.1 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0435
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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