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Information card for entry 7037659
Preview
Coordinates | 7037659.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29.5 H36.7 N5.3 O12.1 Zn2 |
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Calculated formula | C22 H12 N3.2 O8 Zn2 |
Title of publication | Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study. |
Authors of publication | Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 10 |
Pages of publication | 4316 - 4326 |
a | 15.021 ± 0.0004 Å |
b | 15.021 ± 0.0004 Å |
c | 19.222 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4337.1 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 140 |
Hermann-Mauguin space group symbol | I 4/m c m |
Hall space group symbol | -I 4 2c |
Residual factor for all reflections | 0.0806 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1299 |
Weighted residual factors for all reflections included in the refinement | 0.1483 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/7037659.html
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