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Information card for entry 1549266
Preview
Coordinates | 1549266.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H90 Ca Cl Cu6 N7 O50 |
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Calculated formula | C36.9989 Ca Cl0.9999 Cu6 N6.9999 O47.0001 |
Title of publication | Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes |
Authors of publication | Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio |
Journal of publication | Materials Horizons |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 4 |
Pages of publication | 683 |
a | 17.997 ± 0.003 Å |
b | 17.997 ± 0.003 Å |
c | 12.861 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3607.5 ± 1 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 7 |
Space group number | 173 |
Hermann-Mauguin space group symbol | P 63 |
Hall space group symbol | P 6c |
Residual factor for all reflections | 0.1091 |
Residual factor for significantly intense reflections | 0.0612 |
Weighted residual factors for significantly intense reflections | 0.1693 |
Weighted residual factors for all reflections included in the refinement | 0.2015 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 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/1549266.html
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Users of the data should acknowledge the original authors of the
structural data.