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Information card for entry 7107246
Preview
Coordinates | 7107246.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H95 N74 Ni13 O17 |
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Calculated formula | C42.5 H95 N74 Ni13 O17 |
SMILES | [Ni]12345[N]([Ni]6789[N]([Ni]%10%11%12([N]#N=[N]1)[N](O)=C(C=[N]%10O[Ni]1%10%13([N]6([Ni]6%14%15%16[N]7([Ni]7%17([N]6([Ni]6%18%19([N]%17([Ni]%17([N]7=N#N)([N]6=N#N)([N](O)=C(C[N]%17(C)C)C)[OH2])=N#N)[N]%14([Ni]67%14%17[N]%16([Ni]%16%20([N]1%15=N#N)([N]%13([Ni]1([N]%10=N#N)([N]%16=N#N)([N](O)=C(C[N]1(C)C)C)[OH]C)=N#N)[O]%17[N]1[Ni]%10([N]6=N#N)([N]#N=N[Ni]6%13([N]7=N#N)([N](O%18)=CC(=[N]6O)C)[N]([O]%19%14)=C(C[N]%13(C)C)C)([N](CC=1C)(C)C)[N](O%20)=CC(=[N]%10O)C)=N#N)=N#N)=N#N)(O[N]3=CC(=[N]2O)C)[O]8[N]4=C(C[N]5(C)C)C)=N#N)=N#N)[O]9[N]%12=C(C[N]%11(C)C)C)C)=N#N)=N#N.O |
Title of publication | A novel high-spin tridecanuclear NiII cluster with an azido-bridged core exhibiting disk-like topology |
Authors of publication | Gabriel Brunet; Fatemah Habib; Cyril Cook; Thushan Pathmalingam; Francis Loiseau; Ilia Korobkov; T.J.Burchell; Andre Beauchemin; Muralee Murugesu |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 1287 |
a | 19.046 ± 0.003 Å |
b | 29.147 ± 0.006 Å |
c | 23.518 ± 0.004 Å |
α | 90° |
β | 100.477 ± 0.011° |
γ | 90° |
Cell volume | 12838 ± 4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1334 |
Residual factor for significantly intense reflections | 0.0763 |
Weighted residual factors for significantly intense reflections | 0.1922 |
Weighted residual factors for all reflections included in the refinement | 0.2366 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/7107246.html
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Users of the data should acknowledge the original authors of the
structural data.