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Information card for entry 1549542
Preview
Coordinates | 1549542.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H34 N2 Ni O16 |
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Calculated formula | C16 H34 N2 Ni O16 |
SMILES | [Ni](OC(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-])([OH2])([OH2])([OH2])([OH2])OC(=O)c1c(cc(C(=O)O[Ni]([OH2])([OH2])([OH2])[OH2])c(c1)C(=O)[O-])C(=O)[O-].[NH3+]C1CCC([NH3+])CC1.O.O.O.O.[NH3+]C1CCC([NH3+])CC1.O.O.O.O |
Title of publication | [(C6H10)(NH3)2][Ni(H2O)4C6H2(COO)4]·4H2O ‒ A Coordination Polymer with the Chain-like Polyanion {Ni(H2O)4[C6H2(COO)4]2−}n |
Authors of publication | Köferstein, Roberto; Robl, Christian |
Journal of publication | Zeitschrift für anorganische und allgemeine Chemie |
Year of publication | 2007 |
Journal volume | 633 |
Journal issue | 9 |
Pages of publication | 1323 |
a | 6.9123 ± 0.0006 Å |
b | 9.2484 ± 0.0005 Å |
c | 10.8243 ± 0.0007 Å |
α | 74.208 ± 0.006° |
β | 75.558 ± 0.007° |
γ | 68.251 ± 0.006° |
Cell volume | 609.85 ± 0.08 Å3 |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.028 |
Residual factor for significantly intense reflections | 0.026 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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208315 (current) | 2018-06-13 | cif/ Adding structures of 1549542 via cif-deposit CGI script. |
1549542.cif |
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