Crystallography Open Database

Information card for entry 4072634

Preview

Coordinates	4072634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 F6 N2
Calculated formula	C20 H18 F6 N2
SMILES	FC(/C(=N/c1c(cccc1C)C)/C(=N\c1c(cccc1C)C)C(F)(F)F)(F)F
Title of publication	Synthesis and Structural Characterization of a Fluorinated α-Diimine Platinum(II) Complex
Authors of publication	Lersch, Martin; Krivokapic, Alexander; Tilset, Mats
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	7
Pages of publication	1581
a	17.3068 ± 0.001 Å
b	13.2544 ± 0.0008 Å
c	8.1088 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1860.09 ± 0.19 Å³
Cell temperature	105 K
Ambient diffraction temperature	105 K
Number of distinct elements	4
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for all reflections	0.0736
Weighted residual factors for significantly intense reflections	0.0482
Weighted residual factors for all reflections included in the refinement	0.0482
Goodness-of-fit parameter for all reflections included in the refinement	1.1095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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