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Information card for entry 7017406
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Coordinates | 7017406.cif |
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Original paper (by DOI) | HTML |
Common name | (Mn(bipy)2(HCTMCP))2.2MeOH |
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Chemical name | [Mn(bipy)2(HCTMCP)]2.2MeOH |
Formula | C66 H40 Mn2 N20 O2 |
Calculated formula | C66 H32 Mn2 N20 O2 |
Title of publication | Complexes of a hexa-nitrile dianion with neutral, chelating co-ligands: Self-assembly, structure and magnetism. |
Authors of publication | Kutasi, Anna M.; Turner, David R.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 45 |
Pages of publication | 12358 - 12367 |
a | 9.2763 ± 0.0001 Å |
b | 12.7033 ± 0.0002 Å |
c | 12.8777 ± 0.0003 Å |
α | 90.936 ± 0.001° |
β | 92.611 ± 0.001° |
γ | 93.876 ± 0.002° |
Cell volume | 1512.17 ± 0.05 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.126 |
Residual factor for significantly intense reflections | 0.0627 |
Weighted residual factors for significantly intense reflections | 0.1505 |
Weighted residual factors for all reflections included in the refinement | 0.1773 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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