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Information card for entry 7114360
Preview
Coordinates | 7114360.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C90 H150 N20 Ni7 O45 S |
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Calculated formula | C90 H150 N20 Ni7 O45 S |
SMILES | [Ni]1234([O](NC(=[O]1)c1c(N(C)C)cccc1)[Ni]156([O]2NC(=[O]1)c1c(N(C)C)cccc1)[O]12[Ni]7([O]=C(N42)c2c([N]3(C)C)cccc2)([O]23[Ni]41([O]15[Ni]58([O]=C(N1)c1c(N(C)C)cccc1)([O]([Ni]192([O]=C(N[O]9[Ni]29(N3C(=[O]4)c3c([N]2(C)C)cccc3)([O]1NC(=[O]9)c1c(N(C)C)cccc1)[OH2])c1c(N(C)C)cccc1)[O]75NC(=[O]8)c1c(N(C)C)cccc1)NC(=O)c1c(N(C)C)cccc1)[O]6NC(=O)c1c(N(C)C)cccc1)([OH2])[OH2])([OH2])[OH2])[OH2].S(=O)(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Synthesis and structure of a heptanuclear nickel(ii) complex uniquely exhibiting four distinct binding modes, two of which are novel, for a hydroxamate ligand |
Authors of publication | Gaynor, Declan; Starikova, Zoya A.; Ostrovsky, Sergei; Haase, Wolfgang; Nolan, Kevin B. |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 5 |
Pages of publication | 506 - 507 |
a | 16.398 ± 0.009 Å |
b | 23.996 ± 0.014 Å |
c | 30.666 ± 0.012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 12067 ± 11 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.1878 |
Residual factor for significantly intense reflections | 0.0601 |
Weighted residual factors for significantly intense reflections | 0.0915 |
Weighted residual factors for all reflections included in the refinement | 0.1158 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.644 |
Diffraction radiation wavelength | 0.71073 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/7114360.html
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