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Information card for entry 7031699
Preview
Coordinates | 7031699.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H78 N4 Ni3 O14 |
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Calculated formula | C54 H78 N4 Ni3 O14 |
SMILES | c12c3[O]([Ni]4([O]2[Ni]256([N](Cc1cc(c3)C)(CC[N]2(Cc1cc(cc(OC)c1O6)C)C)C)OC(=CC(C)=[O]5)C)([OH2])([O]1c2c(cc(cc2C[N]2(CC[N]3([Ni]512(OC(=CC(C)=[O]5)C)Oc1c(C3)cc(cc1OC)C)C)C)C)[O]4C)[OH2])C |
Title of publication | Anion controlled structural and magnetic diversity in unusual mixed-bridged polynuclear Ni(II) complexes with a versatile bis(2-methoxy phenol)diamine hexadentate ligand. An experimental and theoretical magneto-structural study. |
Authors of publication | Botana, Luis; Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Seco, José M; Oyarzabal, Itziar; Colacio, Enrique |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 36 |
Pages of publication | 13509 - 13524 |
a | 25.3316 ± 0.0014 Å |
b | 13.2982 ± 0.0007 Å |
c | 20.1791 ± 0.0011 Å |
α | 90° |
β | 122.993 ± 0.001° |
γ | 90° |
Cell volume | 5701.4 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0663 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.1093 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7031699.html
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Users of the data should acknowledge the original authors of the
structural data.