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Information card for entry 4079189
Preview
Coordinates | 4079189.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H64 Cu4 I4 N30 O2 P4 |
---|---|
Calculated formula | C28 H64 Cu4 I4 N30 O2 P4 |
SMILES | I[Cu]([P]12C[N+]3(CN(C1)CN(C2)C3)C)([P]12C[N+]3(CN(C1)C[N](C2)(C3)[Cu]1(N=N#N)(N=N#N)[N](=N#N)[Cu](N=N#N)(N=N#N)([N]1=N#N)[N]12C[P]3(C[N+](CN(C3)C1)(C2)C)[Cu](I)(I)[P]12C[N+]3(CN(C1)CN(C2)C3)C)C)I.O.O |
Title of publication | Unprecedented Mixed-Valence Cu(I)/Cu(II) Complex Derived fromN-Methyl-1,3,5-triaza-7-phosphaadamantane: Synthesis, Structural Features, and Magnetic Properties |
Authors of publication | Kirillov, Alexander M.; Filipowicz, Małgorzata; Guedes da Silva, M. Fátima C.; Kłak, Julia; Smoleński, Piotr; Pombeiro, Armando J. L. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 22 |
Pages of publication | 7921 |
a | 7.589 ± 0.004 Å |
b | 13.7459 ± 0.0012 Å |
c | 14.8097 ± 0.0018 Å |
α | 109.43 ± 0.008° |
β | 101.394 ± 0.005° |
γ | 98.23 ± 0.007° |
Cell volume | 1391.3 ± 0.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0372 |
Residual factor for significantly intense reflections | 0.0294 |
Weighted residual factors for significantly intense reflections | 0.0716 |
Weighted residual factors for all reflections included in the refinement | 0.0758 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4079189.html
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Users of the data should acknowledge the original authors of the
structural data.