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Information card for entry 7704869
Preview
Coordinates | 7704869.cif |
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Original paper (by DOI) | HTML |
Formula | C128.4 H144.4 Ca2 Mn6 N12.2 O34.9 |
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Calculated formula | C128.4 H142.6 Ca2 Mn6 N12.2 O34.9 |
Title of publication | The first amino acid bound manganese-calcium clusters: a {[MnCa]<sub>2</sub>} methylalanine complex, and a [MnCa] trigonal prism. |
Authors of publication | Tziotzi, Thomais G.; Andreou, Evangelos K.; Tzanetou, Eirini; Kalofolias, Dimitris A.; Cutler, Daniel J.; Weselski, Marek; Siczek, Milosz; Lis, Tadeusz; Brechin, Euan K.; Milios, Constantinos J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 30 |
Pages of publication | 10339 - 10343 |
a | 14.303 ± 0.004 Å |
b | 15.673 ± 0.005 Å |
c | 15.979 ± 0.005 Å |
α | 107.04 ± 0.03° |
β | 99.23 ± 0.03° |
γ | 97.21 ± 0.03° |
Cell volume | 3323.5 ± 1.9 Å3 |
Cell temperature | 80 ± 2 K |
Ambient diffraction temperature | 80 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.105 |
Residual factor for significantly intense reflections | 0.0674 |
Weighted residual factors for significantly intense reflections | 0.1719 |
Weighted residual factors for all reflections included in the refinement | 0.201 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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