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Information card for entry 4329087
Preview
Coordinates | 4329087.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H90 B N6 Ni2 O4 S2 V |
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Calculated formula | C64 H90 B N6 Ni2 O4 S2 V |
SMILES | [Ni]12345[S]6[Ni]789([S]1c1c%10C[N]5(CC[N]4(CC[N]3(Cc3c6c(cc(c3)C(C)(C)C)C[N]9(CC[N]8(CC[N]7(Cc1cc(c%10)C(C)(C)C)C)C)C)C)C)C)O[V](O2)(OC)OC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis, Structure, and Reactivity of Dinuclear Nickel Amino-Thiophenolate Complexes Bearing Bridging VO2(OH)2- and VO2(OR)2- Coligands |
Authors of publication | Vasile Lozan; Jochen Lach; Berthold Kersting |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 5213 - 5223 |
a | 16.108 ± 0.003 Å |
b | 28.455 ± 0.006 Å |
c | 16.291 ± 0.003 Å |
α | 90° |
β | 113.27 ± 0.03° |
γ | 90° |
Cell volume | 6860 ± 3 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.2498 |
Residual factor for significantly intense reflections | 0.0759 |
Weighted residual factors for significantly intense reflections | 0.1659 |
Weighted residual factors for all reflections included in the refinement | 0.1959 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.639 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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