Crystallography Open Database

Information card for entry 4120142

4120141 << 4120142 >> 4120143

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Structure parameters

Formula	C96 H104 Li2 N4 O4 V2
Calculated formula	C96 H104 Li2 N4 O4 V2
SMILES	[V]1(=[O][Li]2[O]3=[V](=[O][Li]3[O]=12)(Nc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)Nc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(Nc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)Nc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Linear and Nonlinear Two-Coordinate Vanadium Complexes: Synthesis, Characterization, and Magnetic Properties of V(II) Amides
Authors of publication	Jessica N. Boynton; Jing-Dong Guo; James C. Fettinger; Christopher E. Melton; Shigeru Nagase; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	10720 - 10728
a	12.6799 ± 0.0006 Å
b	20.8049 ± 0.0011 Å
c	15.952 ± 0.0008 Å
α	90°
β	107.291 ± 0.002°
γ	90°
Cell volume	4018 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1752
Weighted residual factors for all reflections included in the refinement	0.1832
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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