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Information card for entry 2312548
Preview
Coordinates | 2312548.cif |
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Structure factors | 2312548.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[[4-bromo-2-((<i>Z</i>)-{[2-(thiophen-2-yl)ethyl]imino}methyl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(III)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>] |
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Formula | C27 H22 Br2 Co N3 O2 S3 |
Calculated formula | C27 H22 Br2 Co N3 O2 S3 |
Title of publication | A novel one-dimensional thiocyanate-bridged cobalt(III) complex: synthesis, crystal structure characterization and Hirshfeld surface analysis. |
Authors of publication | Mandal, Uttam; Rizzoli, Corrado; Chakraborty, Bikash; Bandyopadhyay, Debasis; Mandal, Santanu |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | 8 |
a | 16.5337 ± 0.0009 Å |
b | 13.2578 ± 0.0007 Å |
c | 13.4575 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2949.9 ± 0.3 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 7 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0358 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.094 |
Weighted residual factors for all reflections included in the refinement | 0.0956 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
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