Information card for entry 7210086

Structure parameters

• Formula: C31 H38 N10 O6
• Calculated formula: C31 H38 N10 O6
• SMILES: c1(c(c(c2ccccc2c1)Cc1c(c(cc2ccccc12)C(=O)[O-])O)O)C(=O)[O-].CN(C)C(N=C(N)N)=[NH2+].CN(C)C(N=C(N)N)=[NH2+]
• Title of publication: Polymorphism in metformin embonate salt ‒ recurrence of dimeric and tetrameric guanidinium‒carboxylate synthons
• Authors of publication: Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Sawant, Kamlesh D.; Naik, Tushar A.; Patkar, Laxmikant N.; Cherukuvada, Suryanarayan; Sreedhar, Bojja
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 4448
• a: 7.468 ± 0.0006 Å
• b: 13.8016 ± 0.0011 Å
• c: 16.2856 ± 0.0013 Å
• α: 73.334 ± 0.001°
• β: 83.171 ± 0.001°
• γ: 82.666 ± 0.001°
• Cell volume: 1588.9 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No