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Information card for entry 7210374
Preview
Coordinates | 7210374.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | cis-bis(benzoylacetonato)bis(2-aminopyridine)manganese(II) |
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Formula | C30 H30 Mn N4 O4 |
Calculated formula | C30 H30 Mn N4 O4 |
SMILES | [Mn]12([O]=C(C=C(O2)C)c2ccccc2)([O]=C(C=C(O1)C)c1ccccc1)([n]1c(cccc1)N)[n]1ccccc1N |
Title of publication | Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives |
Authors of publication | Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 33 |
Pages of publication | 6585 |
a | 9.0001 ± 0.0007 Å |
b | 12.7277 ± 0.001 Å |
c | 14.1367 ± 0.0014 Å |
α | 66.042 ± 0.009° |
β | 76.101 ± 0.007° |
γ | 73.393 ± 0.007° |
Cell volume | 1403.8 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.0908 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.0612 |
Weighted residual factors for all reflections included in the refinement | 0.0677 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.731 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180434 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/03. |
7210374.cif |
87608 | 2013-08-27 | cif/ Adding structures of 7210367, 7210368, 7210369, 7210370, 7210371, 7210372, 7210373, 7210374 via cif-deposit CGI script. |
7210374.cif |
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Users of the data should acknowledge the original authors of the
structural data.