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Information card for entry 4312676
Preview
Coordinates | 4312676.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H37 N3 Ni O14 S |
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Calculated formula | C13 H37 N3 Ni O14 S |
SMILES | [Ni]12([N](=Cc3c(O2)cccc3)CC[N]21CC[NH2+]CC2)([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-].O.O.O.O.O.O |
Title of publication | Equilibrium Studies in Solution Involving Nickel(II) Complexes of Flexidentate Schiff Base Ligands: Isolation and Structural Characterization of the Planar Red and Octahedral Green Species Involved in the Equilibrium |
Authors of publication | Suman Mukhopadhyay; Debdas Mandal; Dipesh Ghosh; Israel Goldberg; Muktimoy Chaudhury |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 8439 - 8445 |
a | 8.869 ± 0.0001 Å |
b | 11.918 ± 0.0002 Å |
c | 12.122 ± 0.0002 Å |
α | 100.36 ± 0.0006° |
β | 109.788 ± 0.0007° |
γ | 93.555 ± 0.001° |
Cell volume | 1175.49 ± 0.03 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.0361 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0829 |
Weighted residual factors for all reflections included in the refinement | 0.0856 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
Diffraction radiation wavelength | 0.7107 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/4312676.html
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