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Information card for entry 7006573
Preview
Coordinates | 7006573.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30.67 H40.67 Cl2 N4 Ni2 O8.67 S2 |
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Calculated formula | C30.6667 H40.6667 Cl2 N4 Ni2 O8.66667 S2 |
Title of publication | Controlled formation and topologies of thiophenolate-based macrocycles: rings, cylinders and bowls. |
Authors of publication | Christensen, Aase; Mayer, Christoph; Jensen, Frank; Bond, Andrew D.; McKenzie, Christine J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 1 |
Pages of publication | 108 - 120 |
a | 20.071 ± 0.003 Å |
b | 13.669 ± 0.0018 Å |
c | 40.076 ± 0.006 Å |
α | 90° |
β | 103.805 ± 0.007° |
γ | 90° |
Cell volume | 10677 ± 3 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1037 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for significantly intense reflections | 0.1103 |
Weighted residual factors for all reflections included in the refinement | 0.1254 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.877 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7006573.html
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