Crystallography Open Database

Information card for entry 1100947

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Coordinates	1100947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Cu N5 O13 Pr
Calculated formula	C20 H22 Cu N5 O13 Pr
SMILES	[Pr]123456(ON(=[O]1)=O)([O]1[Cu]78[O]2c2c([O]4CC)cccc2C=[N]8CC[N]7=Cc2c1c([O]5CC)ccc2)([O]=N(=O)O6)ON(=[O]3)=O
Title of publication	Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions
Authors of publication	Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3524 - 3536
a	8.619 ± 0.005 Å
b	13.8698 ± 0.001 Å
c	21.1269 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2525.6 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0331
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.182
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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