Information card for entry 7029843

Structure parameters

• Formula: C44 H42 B2 Cl2 Cu Mn2 N22 O12
• Calculated formula: C44 H42 B2 Cl2 Cu Mn2 N22 O12
• Title of publication: Dehydration-triggered magnetic phase conversion in the porous Cu(ii)Mn(iii) metal-organic framework.
• Authors of publication: Ryu, Dae Won; Shin, Jin Ho; Lim, Kwang Soo; Lee, Woo Ram; Phang, Won Ju; Yoon, Sung Won; Suh, Byoung Jin; Koh, Eui Kwan; Hong, Chang Seop
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 6994 - 6997
• a: 35.9978 ± 0.0006 Å
• b: 35.9978 ± 0.0006 Å
• c: 9.9081 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12839.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1919
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.2398
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No