Information card for entry 7202437

Structure parameters

• Formula: C12 H14 Cd I2 N2
• Calculated formula: C12 H14 Cd I2 N2
• SMILES: c1ccccc1[NH2][Cd](I)(I)[NH2]c1ccccc1
• Title of publication: “Reverse” engineering: Toward 0-D cadmium halide clusters
• Authors of publication: Costin-Hogan, Christina E.; Chen, Chun-Long; Hughes, Emma; Pickett, Austin; Valencia, Richard; Rath, Nigam P.; Beatty, Alicia M.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 1910
• a: 25.107 ± 0.003 Å
• b: 5.0103 ± 0.0004 Å
• c: 13.4757 ± 0.0013 Å
• α: 90°
• β: 115.739 ± 0.004°
• γ: 90°
• Cell volume: 1527 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0193
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0286
• Weighted residual factors for all reflections included in the refinement: 0.0294
• 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