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Information card for entry 4316246
Preview
Coordinates | 4316246.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Hexakis(μ~3~-5,6-dimethyl-benzotriazolato)- tetrakis(chlorido-zinc(II))-nickel(II) bromobenzene disolvate |
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Formula | C60 H58 Br2 Cl4 N18 Ni Zn4 |
Calculated formula | C60 H57.96 Br2.04 Cl4 N18 Ni Zn4 |
Title of publication | Syntheses and Magnetostructural Investigations on Kuratowski-Type Homo- and Heteropentanuclear Coordination Compounds [MZn4Cl4(L)6] (MII= Zn, Fe, Co, Ni, or Cu; L = 5,6-Dimethyl-1,2,3-benzotriazolate) Represented by the Nonplanar K3,3 Graph |
Authors of publication | Shyam Biswas; Markus Tonigold; Manfred Speldrich; Paul Kögerler; Matthias Weil; Dirk Volkmer |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 7424 - 7434 |
a | 23.716 ± 0.0004 Å |
b | 23.716 ± 0.0004 Å |
c | 23.716 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 13339 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 227 |
Hermann-Mauguin space group symbol | F d -3 m :2 |
Hall space group symbol | -F 4vw 2vw 3 |
Residual factor for all reflections | 0.0573 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0797 |
Weighted residual factors for all reflections included in the refinement | 0.0994 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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