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Information card for entry 7239970
Preview
Coordinates | 7239970.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H56 Cl N4 Na Ni2 O12 |
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Calculated formula | C46 H56 Cl N4 Na Ni2 O12 |
Title of publication | Diminishing accessibility of electrophilic nickel(II) centres on incorporating methyl spacer in the pendant side arm of a series of hetero-trinuclear nickel(II)/sodium complexes: DFT study using homodesmotic equation |
Authors of publication | Bhaumik, Prasanta Kumar; Banerjee, Abhisek; Dutta, Tamal; Chatterjee, Sudipta; Frontera, Antonio; Chattopadhyay, Shouvik |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
a | 37.44 ± 0.03 Å |
b | 9.494 ± 0.008 Å |
c | 34.86 ± 0.03 Å |
α | 90° |
β | 114.199 ± 0.019° |
γ | 90° |
Cell volume | 11302 ± 16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1077 |
Residual factor for significantly intense reflections | 0.0745 |
Weighted residual factors for significantly intense reflections | 0.2011 |
Weighted residual factors for all reflections included in the refinement | 0.2254 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7239970.html
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