Crystallography Open Database

Information card for entry 4301879

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Structure parameters

Formula	C36 H27 F12 N O4 P2
Calculated formula	C36 H27 F12 N O4 P2
SMILES	P(=O)(Cc1n(=O)c(ccc1)CP(=O)(c1c(cccc1)C(F)(F)F)c1c(cccc1)C(F)(F)F)(c1c(cccc1)C(F)(F)F)c1c(cccc1)C(F)(F)F.OC
Title of publication	Synthesis and Coordination Properties of Trifluoromethyl Decorated Derivatives of 2,6-Bis[(diphenylphosphinoyl)methyl]pyridine N-Oxide Ligands with Lanthanide Ions
Authors of publication	Sylvie Pailloux; Cornel Edicome Shirima; Alisha D. Ray; Eileen N. Duesler; Robert T. Paine; John R. Klaehn; Michael E. McIlwain; Benjamin P. Hay
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	3104 - 3113
a	8.5721 ± 0.0006 Å
b	13.1785 ± 0.001 Å
c	16.8087 ± 0.0013 Å
α	71.228 ± 0.004°
β	83.435 ± 0.004°
γ	77.558 ± 0.004°
Cell volume	1753.5 ± 0.2 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 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	0.0688
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1428
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	0.956
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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