Information card for entry 7003753

Structure parameters

• Formula: C29 H28 Br3 Cd Fe N2 O2 P
• Calculated formula: C29 H28 Br3 Cd Fe N2 O2 P
• SMILES: [Cd](Br)(Br)(Br)[P]([c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[c]1([cH]9[cH]8[cH]7[cH]61)C(=O)NCc1cc[nH+]cc1)(c1ccccc1)c1ccccc1.O
• Title of publication: Group-12 metal complexes with isomeric 1-(diphenylphosphino)-1′-[N-(pyridylmethyl)carbamoyl]ferrocenes: coordination polymers vs. finite multinuclear coordination assemblies
• Authors of publication: Kühnert, Janett; Císařová, Ivana; Lamač, Martin; Štěpnička, Petr
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 18
• Pages of publication: 2454 - 2464
• a: 8.8247 ± 0.0002 Å
• b: 9.637 ± 0.0002 Å
• c: 17.9163 ± 0.0004 Å
• α: 83.033 ± 0.001°
• β: 88.557 ± 0.001°
• γ: 87.229 ± 0.001°
• Cell volume: 1510.36 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No