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Information card for entry 7702178
Preview
Coordinates | 7702178.cif |
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Original paper (by DOI) | HTML |
Formula | C60 H54 Mn3 N6 |
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Calculated formula | C60 H54 Mn3 N6 |
Title of publication | Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity. |
Authors of publication | Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 15 |
Pages of publication | 5171 - 5180 |
a | 18.5006 ± 0.0008 Å |
b | 20.7775 ± 0.001 Å |
c | 30.929 ± 0.0013 Å |
α | 90° |
β | 102.732 ± 0.0014° |
γ | 90° |
Cell volume | 11596.7 ± 0.9 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 4 |
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 | 0.0391 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.0722 |
Weighted residual factors for all reflections included in the refinement | 0.0761 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
236827 (current) | 2019-11-24 | cif/ Adding structures of 7702178, 7702179, 7702180, 7702181, 7702182, 7702183, 7702184, 7702185 via cif-deposit CGI script. |
7702178.cif |
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Users of the data should acknowledge the original authors of the
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