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Information card for entry 4319601
Preview
Coordinates | 4319601.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H32 Cl2 N4 Ni O8 |
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Calculated formula | C15 H32 Cl2 N4 Ni O8 |
SMILES | [Ni]1234(OCl(=[O]1)(=O)=O)[NH]1CCC[N]52CCC[NH]3CCC[N]4(CCC1)CCC5.Cl(=O)(=O)(=O)[O-] |
Title of publication | Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane |
Authors of publication | Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 2323 - 2334 |
a | 10.1453 ± 0.0004 Å |
b | 13.9663 ± 0.0006 Å |
c | 14.5922 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2067.6 ± 0.15 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0546 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for all reflections | 0.0698 |
Weighted residual factors for significantly intense reflections | 0.0648 |
Goodness-of-fit parameter for all reflections | 1.015 |
Goodness-of-fit parameter for significantly intense reflections | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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