Crystallography Open Database

Information card for entry 4303316

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Structure parameters

Formula	C19 H18 N4 O2
Calculated formula	C19 H18 N4 O2
SMILES	O(c1c(cc(OC)c2c1cccc2)C(n1nccc1)n1nccc1)C
Title of publication	Single-Electron Transfer in Palladium Complexes of 1,4-Naphthoquinone-Containing Bis(pyrazol-1-yl)methane Ligands
Authors of publication	Sebastian Scheuermann; Biprajit Sarkar; Michael Bolte; Jan W. Bats; Hans-Wolfram Lerner; Matthias Wagner
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	9385 - 9392
a	10.4274 ± 0.0006 Å
b	10.9471 ± 0.0006 Å
c	16.2952 ± 0.001 Å
α	73.329 ± 0.005°
β	73.97 ± 0.005°
γ	74.984 ± 0.005°
Cell volume	1679.63 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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