Crystallography Open Database
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Searching journal of publication like 'IuCrJ'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1513566 | CIF HKL | C10 H10 N4 O2 | P 1 21/c 1 | 11.0104; 10.0398; 18.604 90; 97.32; 90 | 2039.77 | Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole IUCrJ, 2014, 1, 110-118 |
| 1513567 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 10.978; 10.006; 18.488 90; 97.223; 90 | 2014.7 | Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole IUCrJ, 2014, 1, 110-118 |
| 1513568 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 11.047; 10.129; 18.652 90; 97.223; 90 | 2070.5 | Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole IUCrJ, 2014, 1, 110-118 |
| 1513569 | CIF | C44 H40 N6 O4 | P -1 | 8.7711; 10.0113; 12.0057 67.978; 78.03; 69.224 | 910.38 | Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ, 2014, 1, 8-18 |
| 1513570 | CIF HKL | C44 H40 N6 O4 | P 1 21/n 1 | 9.2233; 36.2938; 16.5853 90; 97.827; 90 | 5500.2 | Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ, 2014, 1, 8-18 |
| 1513572 | CIF | C44 H40 N6 O4 | P 1 21/n 1 | 9.0828; 12.3446; 16.6095 90; 96.32; 90 | 1851 | Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ, 2014, 1, 8-18 |
| 1513573 | CIF | C44 H40 N6 O4 | P 1 21/n 1 | 9.118; 12.3427; 16.64 90; 96.381; 90 | 1861.08 | Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ, 2014, 1, 8-18 |
| 1513574 | CIF | C44 H40 N6 O4 | P 1 21/n 1 | 9.1938; 12.3828; 16.7311 90; 96.358; 90 | 1893.04 | Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ, 2014, 1, 8-18 |
| 1513575 | CIF | C44 H40 N6 O4 | P 1 21/n 1 | 9.2118; 36.2075; 16.5458 90; 97.923; 90 | 5465.9 | Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ, 2014, 1, 8-18 |
| 1513576 | CIF | C17 H16 N2 O2 | P 1 21/c 1 | 17.8201; 8.3288; 39.3222 90; 91.901; 90 | 5833 | Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R. Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters IUCrJ, 2014, 1, 8-18 |
| 1513577 | CIF HKL | C6 H4 Cl2 O | I 41/a :2 | 26.127; 26.127; 3.7926 90; 90; 90 | 2588.9 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513578 | CIF | C6 H4 Cl2 O | I 41/a :2 | 26.186; 26.186; 3.8144 90; 90; 90 | 2615.6 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513579 | CIF | C6 H4 Cl2 O | I 41/a :2 | 26.251; 26.251; 3.8524 90; 90; 90 | 2654.7 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513580 | CIF | C6 H4 Br Cl O | I 41/a :2 | 26.419; 26.419; 3.8824 90; 90; 90 | 2709.8 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513581 | CIF | C6 H4 Br Cl O | I 41/a :2 | 26.465; 26.465; 3.9017 90; 90; 90 | 2732.7 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513582 | CIF | C6 H4 Br Cl O | I 41/a :2 | 26.65; 26.65; 3.965 90; 90; 90 | 2816 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513583 | CIF | C6 H4 Br Cl O | P 1 21/c 1 | 11.457; 4.1113; 15.233 90; 108.905; 90 | 678.8 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513584 | CIF | C6 H4 Cl I O | P 1 21/c 1 | 11.222; 4.263; 15.81 90; 106.933; 90 | 724 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513585 | CIF | C6 H4 Cl I O | P 1 21/c 1 | 11.242; 4.286; 15.87 90; 107.016; 90 | 731.2 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513586 | CIF | C6 H4 Cl I O | P 1 21/c 1 | 11.26; 4.321; 15.88 90; 106.74; 90 | 740 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513587 | CIF | C6 H4 Br2 O | P 1 21/c 1 | 11.169; 4.2067; 14.911 90; 91.07; 90 | 700.5 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513588 | CIF | C7 H3 Cl3 O3 | P 1 21/c 1 | 4.9531; 24.02; 8.007 90; 118.88; 90 | 834.1 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513589 | CIF | C7 H3 Cl3 O3 | P 1 21/c 1 | 4.9712; 24.094; 8.0459 90; 118.884; 90 | 843.8 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513590 | CIF | C7 H3 Cl3 O3 | P 1 21/c 1 | 4.979; 24.298; 8.0971 90; 119.108; 90 | 855.9 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513591 | CIF | C7 H5 Cl O2 | P -1 | 3.8017; 6.1607; 14.208 92.417; 94.718; 92.286 | 331.03 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513592 | CIF | C7 H5 Cl O2 | P -1 | 3.8208; 6.1785; 14.209 92.591; 94.866; 91.978 | 333.63 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1513593 | CIF | C7 H5 Cl O2 | P -1 | 3.8686; 6.227; 14.243 92.794; 95.149; 91.493 | 341.2 | Mukherjee, Arijit; Desiraju, Gautam R. Halogen bonds in some dihalogenated phenols: applications to crystal engineering IUCrJ, 2014, 1, 49-60 |
| 1542771 | CIF Paper | C36 H30 B Cl F4 N2 O2 P2 Ru | P 1 21/c 1 | 19.0673; 9.8391; 20.5654 90; 117.58; 90 | 3419.8 | Casaretto, Nicolas; Pillet, Sebastien; Bendeif, El Eulmi; Schaniel, Dominik; Gallien, Anna K. E.; Klüfers, Peter; Woike, Theo Multiple light-induced NO linkage isomers in the dinitrosyl complex [RuCl(NO)~2~(PPh~3~)~2~]BF~4~ unravelled by photocrystallographic and IR analysis IUCrJ, 2015, 2, 35-44 |
| 1542772 | CIF | C4 H12 K Na O10 | P 21 21 2 | 11.9247; 14.3066; 6.2444 90; 90; 90 | 1065.31 | Mo, Frode; Mathiesen, Ragnvald H.; Beukes, Jon Are; Vu, Khanh Minh Rochelle salt ‒ a structural reinvestigation with improved tools. I. The high-temperature paraelectric phase at 308K IUCrJ, 2015, 2, 19-28 |
| 1542773 | CIF | C61 H40 Ag4 F28 N4 O8 | P -1 | 10.6531; 11.2628; 14.4311 72.401; 86.598; 82.882 | 1637.3 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542774 | CIF | C28 H18 Ag2 F14 N2 O4 | P 1 21/c 1 | 11.1146; 22.7107; 13.2046 90; 111.785; 90 | 3095.07 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542775 | CIF | C28 H18 Ag2 F14 N2 O4 | P 1 21/c 1 | 11.375; 22.5963; 13.346 90; 113.472; 90 | 3146.5 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542776 | CIF | C20 H8 Ag2 F14 N2 O4 | C 1 2/c 1 | 27.578; 9.267; 21.211 90; 118.142; 90 | 4780 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542777 | CIF | C20 H8 Ag2 F14 N2 O4 | P -1 | 10.782; 11.006; 12.54 71.569; 76.089; 62.229 | 1241.4 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542778 | CIF | C62.275 H42.55 Ag4 F28 N4 O8 | P -1 | 10.6658; 11.2395; 14.325 72.054; 86.608; 83.149 | 1621.6 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542779 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.843; 12.245; 15.7202 90; 109.498; 90 | 4507.9 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542780 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.746; 12.2117; 15.6525 90; 109.192; 90 | 4467.2 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542781 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.817; 12.241; 15.714 90; 109.39; 90 | 4503 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542782 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.638; 12.1718; 15.5632 90; 108.782; 90 | 4418.7 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542783 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.525; 12.1433; 15.4964 90; 108.492; 90 | 4376.8 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542784 | CIF | C39 H46 N6 O7 | P 1 c 1 | 9.076; 8.9616; 22.501 90; 93.554; 90 | 1826.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542785 | CIF | C31 H34 N4 O7 | P 1 21/c 1 | 15.831; 9.3122; 20.211 90; 104.415; 90 | 2885.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542786 | CIF | C27 H30 N2 O9 | P -1 | 9.3506; 10.912; 13.002 76.798; 84.048; 81.58 | 1274.26 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542787 | CIF | C27 H30 N2 O8 | P -1 | 9.3202; 10.7538; 12.9869 79.471; 85.133; 82.377 | 1266 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542788 | CIF | C29 H26 N2 O9 | P -1 | 9.8334; 10.7098; 13.079 102.815; 95.031; 106.846 | 1268.3 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542789 | CIF | C29 H18 N2 O8 | P -1 | 9.806; 10.778; 13.055 102.833; 94.525; 106.943 | 1271.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542790 | CIF | C30 H22 N3 O7 | P -1 | 9.844; 10.636; 13.071 98.324; 94.601; 107.947 | 1276.9 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542791 | CIF | C45 H36 N6 O8 | P -1 | 10.0222; 12.8756; 15.0597 81.685; 83.118; 76.273 | 1860.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542792 | CIF | C31 H28 N2 O9 | P -1 | 10.1899; 11.6532; 13.0214 97.351; 95.446; 115.237 | 1367.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542793 | CIF | C31 H28 N2 O8 | P -1 | 10.0381; 11.5707; 13.0194 76.744; 84.502; 65.573 | 1340.13 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542794 | CIF | C30 H26 N3 O8 | P -1 | 9.9867; 11.2949; 13.04 79.558; 85.192; 66.082 | 1322.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542795 | CIF | C39 H30 N4 O7 | P 1 21/c 1 | 18.0656; 11.6584; 16.661 90; 115.565; 90 | 3165.5 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542796 | CIF | C27 H20 N2 O7 | C 1 2/c 1 | 21.831; 12.904; 15.876 90; 101.912; 90 | 4376.1 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542797 | CIF | C31 H30 N2 O8 | P -1 | 9.8782; 11.5881; 13.041 76.595; 85.792; 67.035 | 1336.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542798 | CIF | C39 H34 N4 O7 | P 1 21/c 1 | 20.028; 10.5025; 16.5786 90; 108.851; 90 | 3300.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542799 | CIF | C27 H22 N2 O7 | P 1 21/c 1 | 13.3624; 10.554; 32.5542 90; 95.517; 90 | 4569.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542800 | CIF | C29 H26 N4 O8 | P -1 | 10.0918; 11.4244; 13.052 98.573; 95.19; 115.078 | 1327.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542801 | CIF | C25 H18 N4 O7 | C 1 2/c 1 | 21.647; 12.8623; 15.712 90; 101.543; 90 | 4286.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542802 | CIF | C31 H26 N2 O9 | P -1 | 8.1859; 12.787; 13.173 83.634; 83.848; 73.246 | 1308.1 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542803 | CIF | C33 H22 N3 O7 | P -1 | 8.416; 12.297; 13.111 87.1; 84.103; 73.503 | 1293.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542804 | CIF | C58 H42 N7 O8 | P -1 | 9.9945; 13.4346; 17.822 81.016; 78.335; 86.046 | 2313.09 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542805 | CIF | C33 H22 N3 O8 | P -1 | 9.48; 11.2614; 13.5129 104.785; 108.855; 90.687 | 1312.95 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542806 | CIF | C33 H22 N3 O7 | P -1 | 4.983; 15.381; 18.142 112.21; 94.99; 94.92 | 1271.77 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542807 | CIF | C29 H21 N2 O7 S | P -1 | 9.8066; 10.4874; 13.0073 97.993; 94.646; 108.15 | 1247.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542808 | CIF | C69 H50 N6 O14 S6 | P -1 | 12.547; 13.299; 18.49 94.246; 90.204; 98.776 | 3040.5 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542809 | CIF | C30 H20 N2 O7 S | P -1 | 9.974; 11.421; 13.009 78.51; 85.22; 66.39 | 1330.63 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542810 | CIF | C90 H63 N6 O14 | P -1 | 12.664; 13.235; 22.191 104.03; 96.59; 104.04 | 3440.59 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542811 | CIF | C34 H24 N2 O7 | P -1 | 10.5919; 11.6067; 11.6919 85.133; 72.938; 75.632 | 1331.01 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542812 | CIF Paper | C12 H19 N3 O3 S | P 1 21/n 1 | 7.2731; 15.9052; 12.7766 90; 99.291; 90 | 1458.61 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542813 | CIF Paper | C13 H20 N2 O3 S | P 1 21/n 1 | 7.302; 17.189; 12.2835 90; 106.76; 90 | 1476.3 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542814 | CIF Paper | C12 H17 Cl N2 O3 S | P 21 21 21 | 7.1564; 13.369; 15.276 90; 90; 90 | 1461.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542815 | CIF Paper | C12 H19 N3 O3 S | P 21 21 21 | 7.0957; 13.128; 15.3425 90; 90; 90 | 1429.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542816 | CIF Paper | C12 H17 Br N2 O3 S | P 21 21 21 | 7.156; 13.538; 15.406 90; 90; 90 | 1492.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542817 | CIF Paper | C12 H18 N2 O3 S | P 1 21/n 1 | 5.3367; 15.9206; 16.07 90; 98.308; 90 | 1351 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542818 | CIF Paper | C12 H17 Cl N2 O3 S | P 1 21/c 1 | 9.8782; 14.172; 10.8753 90; 112.85; 90 | 1403 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542819 | CIF Paper | C12 H18 N2 O3 S | P 21 21 21 | 7.07; 12.7624; 14.977 90; 90; 90 | 1351.4 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542820 | CIF Paper | C11 H15 Cl N2 O3 S | C 1 2/c 1 | 25.701; 6.8096; 19.177 90; 127.4; 90 | 2666.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542821 | CIF Paper | C11 H15 Br N2 O3 S | C 1 2/c 1 | 25.914; 6.8687; 19.202 90; 126.873; 90 | 2734.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542822 | CIF Paper | C12 H18 N2 O3 S | P -1 | 5.21; 8.449; 16.104 82.894; 82.798; 81.772 | 692 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542823 | CIF Paper | C11 H15 Cl N2 O3 S | P 1 21/c 1 | 10.521; 13.7661; 10.3407 90; 116.31; 90 | 1342.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542824 | CIF Paper | C11 H16 N2 O3 S | P 21 21 21 | 7.1043; 12.7937; 14.0302 90; 90; 90 | 1275.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542825 | CIF | C65 H67 Mn2 N3 O17 | P 1 21/c 1 | 19.6786; 22.7703; 14.8344 90; 104.147; 90 | 6445.5 | Bajpai, Alankriti; Mukhopadhyay, Arindam; Krishna, Manchugondanahalli Shivakumar; Govardhan, Savitha; Moorthy, Jarugu Narasimha A fluorescent paramagnetic Mn metal‒organic framework based on semi-rigid pyrene tetracarboxylic acid: sensing of solvent polarity and explosive nitroaromatics IUCrJ, 2015, 2, 552-562 |
| 1542826 | CIF | C30 H62 | P 1 21 1 | 28.172; 4.935; 10.375 90; 90.3; 90 | 1442.4 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542827 | CIF | C30 H62 | P 1 21 1 | 18.43381; 7.175975; 11.02071 90; 101.974; 90 | 1426.1 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542828 | CIF | C28 H58 | P 1 21 1 | 16.00237; 7.154313; 12.40169 90; 109.825; 90 | 1335.67 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542829 | CIF | C30 H62 | P 1 21 1 | 16.0129; 7.14458; 14.09635 90; 118.06; 90 | 1423.14 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542830 | CIF | C26 H54 | P 1 21 1 | 21.44393; 4.937406; 12.34557 90; 105.625; 90 | 1258.81 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542831 | CIF | C28 H58 | P 1 21 1 | 23.4884; 4.93921; 12.33521 90; 109.295; 90 | 1350.68 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542832 | CIF | C30 H62 | P 1 21 1 | 25.6203; 4.93638; 12.32668 90; 112.448; 90 | 1440.84 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542833 | CIF | C32 H66 | P 1 21 1 | 27.78145; 4.933812; 12.38987 90; 115.68; 90 | 1530.52 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542834 | CIF | C30 H62 | P 1 21 1 | 28.09291; 4.932501; 10.36893 90; 90.4059; 90 | 1436.77 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~‒C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542835 | CIF | C11 H12 O4 | P 1 21/c 1 | 11.216; 8.214; 14.073 90; 128.86; 90 | 1009.6 | Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion IUCrJ, 2015, 2, 653-660 |
| 1542836 | CIF | C22 H24 O8 | P -1 | 5.54; 8.259; 11.281 83.61; 83.275; 74.48 | 492.2 | Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion IUCrJ, 2015, 2, 653-660 |
| 1542837 | CIF | C17 H15 B F2 O4 | C 1 2/c 1 | 21.1854; 7.0826; 10.0747 90; 98.208; 90 | 1496.2 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1542838 | CIF | C16 H13 B F2 O3 | P -1 | 8.0234; 9.0901; 10.7916 75.514; 80.766; 69.797 | 712.78 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1542839 | CIF | C23 H27 B F2 O2 | C 1 2/c 1 | 28.575; 7.0402; 10.3208 90; 102.92; 90 | 2023.7 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1542840 | CIF HKL | C27 H29 Cl N2 O7 | P -1 | 11.9406; 21.3081; 5.103 92.373; 93.003; 85.308 | 1291.3 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542841 | CIF HKL | C27 H24 Cl N3 O7 | P 1 21 1 | 11.89; 4.9621; 21.4281 90; 90.663; 90 | 1264.16 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542842 | CIF HKL | C28 H25 Cl N2 O8 | P 1 21 1 | 16.959; 4.7993; 17.285 90; 113.55; 90 | 1289.7 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542843 | CIF HKL | C27 H24 Cl N3 O7 | P 1 21 1 | 21.7202; 5.0077; 11.8457 90; 93.954; 90 | 1285.4 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542844 | CIF HKL | C46 H46 Cl2 N4 O12 | P -1 | 7.3994; 25.6703; 5.8254 90.162; 98.598; 98.315 | 1082.2 | Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini; Chernyshev, Vladimir Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt IUCrJ, 2014, 1, 136-150 |
| 1542845 | CIF Paper | C12 H9 Cl4 N O | P -1 | 7.0243; 9.4152; 10.928 82.75; 79.147; 76.703 | 688.2 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542846 | CIF Paper | C12 H9 Cl4 N O | P 1 21/c 1 | 6.9676; 21.336; 9.1861 90; 99.139; 90 | 1348.3 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542847 | CIF Paper | C12 H8 Cl5 N O | P 1 21 1 | 7.0572; 15.4665; 13.2112 90; 98.98; 90 | 1424.3 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542848 | CIF Paper | C12 H8 Cl5 N O | I 1 2/a 1 | 22.638; 7.2553; 18.013 90; 90.767; 90 | 2958.3 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542849 | CIF Paper | C12 H7 Cl5 N O | P -1 | 7.0681; 9.5008; 11.4095 85.402; 83.071; 71.211 | 719.36 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542850 | CIF Paper | C12 H9 Br Cl3 N O | P -1 | 7.0562; 9.373; 11.11 83.358; 79.173; 76.588 | 700 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542851 | CIF Paper | C12 H9 Cl3 I N O | P -1 | 7.083; 9.354; 11.456 84.118; 79.555; 76.553 | 724.5 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542852 | CIF Paper | C12 H7 Cl4 I N O | P -1 | 7.107; 9.498; 11.827 85.425; 81.804; 71.851 | 750.4 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542853 | CIF Paper | C12 H9 Cl4 N O | P 1 21/c 1 | 7.851; 11.865; 14.891 90; 106.79; 90 | 1328 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542854 | CIF Paper | C12 H9 Cl4 N O | P -1 | 7.208; 9.333; 10.884 99.035; 107.107; 102.219 | 664.8 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542855 | CIF Paper | C12 H8 Cl5 N O | P -1 | 7.1441; 9.3027; 11.8726 77.966; 74.889; 77.979 | 735.06 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542856 | CIF Paper | C12 H8 Cl5 N O | P -1 | 7.206; 9.2558; 11.3203 99.693; 99.616; 101.387 | 713.76 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542857 | CIF Paper | C14 H14 N2 O4 | C 1 2/c 1 | 24.698; 5.1072; 20.6682 90; 99.673; 90 | 2570 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542858 | CIF Paper | C14 H14 N2 O4 | P 1 21/c 1 | 12.41; 5.124; 20.06 90; 92.901; 90 | 1274 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542859 | CIF Paper | C14 H14 N2 O5 | P -1 | 4.76; 11.501; 12.539 77.081; 86.975; 81.302 | 661.2 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
| 1542860 | CIF | C44 H40 Ag2 N12 O8 | P b c m | 12.6641; 26.23; 35.269 90; 90; 90 | 11716 | Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution IUCrJ, 2014, 1, 318-327 |
| 1542861 | CIF | C24 H20 Ag F3 N6 O11 | I b a m | 6.4005; 26.426; 35.016 90; 90; 90 | 5922.6 | Jiang, Ji-Jun; He, Jian-Rong; Lü, Xing-Qiang; Wang, Da-Wei; Li, Guo-Bi; Su, Cheng-Yong Structural disorder and transformation in crystal growth: direct observation of ring-opening isomerization in a metal‒organic solid solution IUCrJ, 2014, 1, 318-327 |
| 1543051 | CIF HKL | C6 H12 O6 | P 21/n | 11.58792; 12.2101; 5.25364 90; 90.5649; 90 | 743.3 | Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ, 2013, 1, 61-73 |
| 1543052 | CIF HKL | C6 H12 O6 | P b c a | 14.1313; 11.0757; 9.36191 90; 90; 90 | 1465.27 | Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ, 2013, 1, 61-73 |
| 1543053 | CIF HKL | C6 H12 O6 | P 21 21 21 | 14.01476; 11.03782; 9.33193 90; 90; 90 | 1443.58 | Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ, 2013, 1, 61-73 |
| 1543054 | CIF HKL | C6 H12 O6 | P c a 21 | 11.8577; 7.01486; 8.68032 90; 90; 90 | 722.03 | Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ, 2013, 1, 61-73 |
| 1543055 | CIF HKL | C6 H12 O6 | P 21 | 6.86637; 9.12272; 6.21914 90; 106.596; 90 | 373.338 | Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ, 2013, 1, 61-73 |
| 1543056 | CIF HKL | C6 H12 O6 | P 21/c | 10.1435; 8.1542; 8.6239 90; 92.3556; 90 | 712.7 | Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ, 2013, 1, 61-73 |
| 1543220 | CIF | C12 H8 Br N O2 | P 1 21 1 | 9.991; 14.1075; 15.656 90; 102; 90 | 2158.5 | Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals IUCrJ, 2016, 3, 219-225 |
| 1543221 | CIF | C12 H8 Br N O2 | P 1 21 1 | 9.971; 14.1307; 15.65 90; 101.71; 90 | 2159.1 | Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals IUCrJ, 2016, 3, 219-225 |
| 1543222 | CIF | C13 H8 Br N | P 1 21 1 | 9.6028; 14.6523; 15.5726 90; 97.34; 90 | 2173.2 | Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals IUCrJ, 2016, 3, 219-225 |
| 1543223 | CIF | C13 H8 Br N | P 1 21 1 | 9.5964; 14.6438; 15.5585 90; 97.429; 90 | 2168 | Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals IUCrJ, 2016, 3, 219-225 |
| 1543412 | CIF Paper | C45 H32 Cu2 I2 N4 S1.95 | I 4/m c m | 13.2563; 13.2563; 27.5616 90; 90; 90 | 4843.39 | Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks IUCrJ, 2016, 3 |
| 1543413 | CIF | C45 H32 Cu1.88 I1.88 N4 S3 | P -4 | 26.7176; 26.7176; 7.1942 90; 90; 90 | 5135.4 | Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks IUCrJ, 2016, 3 |
| 1543414 | CIF | C45 H32 Cu1.88 I1.88 N4 S3.01 | I -4 | 26.8758; 26.8758; 7.1689 90; 90; 90 | 5178.16 | Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks IUCrJ, 2016, 3 |
| 1543415 | CIF | C45 H32 Cu1.88 I1.88 N4 S3.01 | I -4 | 26.8987; 26.8987; 7.1788 90; 90; 90 | 5194.15 | Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks IUCrJ, 2016, 3 |
| 1543416 | CIF | C45 H32 Cu1.85 I1.85 N4 S3 | I -4 | 26.8664; 26.8664; 7.1717 90; 90; 90 | 5176.56 | Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks IUCrJ, 2016, 3 |
| 1543858 | CIF Paper | C4 H9 N O2 | I 1 2 1 | 9.6246; 5.2079; 43.103 90; 100.201; 90 | 2126.3 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543859 | CIF | C4 H9 N O2 | P 1 21 1 | 9.6176; 5.2126; 21.768 90; 101.123; 90 | 1070.79 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543860 | CIF | C4 H9 N O2 | P 1 21 1 | 9.6132; 5.2239; 22.4134 90; 101.453; 90 | 1103.15 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543861 | CIF | C4 H9 N O2 | C 1 2 1 | 9.6233; 5.2274; 22.877 90; 100.764; 90 | 1130.6 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543862 | CIF | C5 H11 N O2 | P 1 21 1 | 9.6123; 5.1222; 13.183 90; 98.609; 90 | 641.77 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543863 | CIF | C5 H11 N O2 | P 1 21 1 | 9.604; 5.1222; 13.352 90; 97.137; 90 | 651.7 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543864 | CIF | C5 H11 N O2 | I 1 2 1 | 9.5868; 5.156; 27.477 90; 93.203; 90 | 1356.1 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543865 | CIF | C5 H11 N O2 | I 1 2 1 | 9.5855; 5.1752; 27.959 90; 92.057; 90 | 1386.1 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543866 | CIF | C5 H11 N O2 | C 1 2 1 | 9.589; 5.2054; 14.698 90; 104.77; 90 | 709.4 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543867 | CIF | C6 H13 N O2 | C 1 2 1 | 28.516; 5.2346; 32.233 90; 116.25; 90 | 4315.2 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543868 | CIF | C6 H13 N O2 | C 1 2 1 | 9.5327; 5.2545; 14.959 90; 97.628; 90 | 742.66 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543869 | CIF | C6 H13 N O2 | C 1 2 1 | 9.5633; 5.2287; 15.674 90; 93.695; 90 | 782.1 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543870 | CIF | C6 H13 N O2 | C 1 2 1 | 9.6033; 5.2223; 15.983 90; 90.916; 90 | 801.5 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543871 | CIF | C6 H13 N O2 | C 1 2 1 | 9.648; 5.252; 16.561 90; 103.11; 90 | 817.3 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543872 | CIF | C5 H11 N O2 S | P 1 21 1 | 9.5118; 5.1936; 15.3419 90; 97.635; 90 | 751.18 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543873 | CIF | C5 H11 N O2 S | P 1 21 1 | 9.5473; 5.183; 15.583 90; 94.98; 90 | 768.19 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543874 | CIF | C5 H11 N O2 S | P 1 21 1 | 9.588; 5.203; 16.101 90; 99.869; 90 | 791.3 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543899 | CIF | Cr2 Cu O4 | I 41/a m d :2 | 6.0287; 6.0287; 7.7803 90; 90; 90 | 282.777 | Tarantino, Serena C.; Giannini, Mattia; Carpenter, Michael A.; Zema, Michele Cooperative Jahn‒Teller effect and the role of strain in the tetragonal-to-cubic phase transition in Mg<i>~x~</i>Cu~1{ηskip0.16667em~{-}{ηskip0.16667em}<i>x</i>}Cr~2~O~4~ IUCrJ, 2016, 3 |
| 1543900 | CIF | Cr2 Mg O4 | F d -3 m :2 | 8.3288; 8.3288; 8.3288 90; 90; 90 | 577.76 | Tarantino, Serena C.; Giannini, Mattia; Carpenter, Michael A.; Zema, Michele Cooperative Jahn‒Teller effect and the role of strain in the tetragonal-to-cubic phase transition in Mg<i>~x~</i>Cu~1{ηskip0.16667em~{-}{ηskip0.16667em}<i>x</i>}Cr~2~O~4~ IUCrJ, 2016, 3 |
| 1543918 | CIF | C24 H42 Au3 N9 | C 1 2/c 1 | 25.058; 14.038; 18.102 90; 97.313; 90 | 6316 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543919 | CIF | C24 H42 Au3 N9 | C 1 2/c 1 | 24.7872; 13.8653; 17.7857 90; 97.493; 90 | 6060.4 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543920 | CIF | C24 H42 Au3 N9 | C 1 2/c 1 | 24.641; 13.7018; 17.5317 90; 97.572; 90 | 5867.5 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543921 | CIF | C24 H42 Au3 N9 | C 1 2/c 1 | 24.29; 13.584; 17.379 90; 98.51; 90 | 5671 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543922 | CIF | C24 H42 Au3 N9 | C 1 2/c 1 | 24.215; 13.516; 17.266 90; 98.7; 90 | 5586 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543923 | CIF | C24 H42 Au3 N9 | P 1 21/n 1 | 23.765; 13.396; 16.789 90; 99.58; 90 | 5270.3 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543924 | CIF | C24 H42 Au3 N9 | P 1 21/c 1 | 26.529; 13.396; 31.094 90; 110.11; 90 | 10377 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543925 | CIF | C24 H42 Au3 N9 | C 1 2/c 1 | 37.163; 13.417; 30.421 90; 88.48; 90 | 15163 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543926 | CIF | C48 H83 Au6 N18 | P 1 21/n 1 | 23.3975; 13.301; 16.1373 90; 99.901; 90 | 4947.3 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543927 | CIF | C24 H42 Au3 N9 | C 1 2/c 1 | 24.316; 14.341; 20.951 90; 121.105; 90 | 6256 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543928 | CIF | C24 H42 Au3 N9 | C 1 2/c 1 | 23.7794; 14.0552; 20.087 90; 121.333; 90 | 5734.5 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543929 | CIF | C24 H42 Au3 N9 | C 1 2/c 1 | 23.6575; 13.9552; 19.838 90; 121.445; 90 | 5587.6 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543930 | CIF | C24 H42 Au3 N9 | C 1 2/c 1 | 23.5723; 13.8758; 19.647 90; 121.589; 90 | 5474 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543931 | CIF | C24 H42 Au3 N9 | C 1 2/c 1 | 23.4383; 13.7533; 19.341 90; 121.812; 90 | 5298.1 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543932 | CIF | C24 H42 Au3 N9 | C 1 2/c 1 | 23.4449; 13.6963; 19.285 90; 121.92; 90 | 5256.2 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543933 | CIF | C24 H42 Au3 N9 | C 1 2/c 1 | 23.364; 13.6258; 19.112 90; 122.08; 90 | 5155.3 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1543934 | CIF | C24 H42 Au3 N9 | C 1 2/c 1 | 23.3195; 13.5632; 18.951 90; 122.188; 90 | 5072.7 | Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ, 2016, 3 |
| 1544208 | CIF | C20 H24 | R -3 :H | 15.97714; 15.97714; 5.581157 90; 90; 120 | 1233.82 | Maynard-Casely, H.E.; Hodyss, R.; Cable, M.L.; Vu, T.H.; Rahm, M. A co-crystal between benzene and ethane, an potential evaporite material for Saturn's moon Titan IuCrJ, 2016, 3, 192-199 |
| 1544300 | CIF | C12 H8 N2 | F d d d :2 | 9.2584; 12.936; 15.764 90; 90; 90 | 1888 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544301 | CIF | C26 H18 N2 | P 1 21/c 1 | 22.1029; 5.6277; 7.5548 90; 99.707; 90 | 926.28 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544302 | CIF | C20 H12 N2 | P n a 21 | 17.7436; 10.851; 7.5217 90; 90; 90 | 1448.2 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544303 | CIF | C20 H16 N2 O2 | P 1 21/c 1 | 14.957; 4.8702; 11.199 90; 103.719; 90 | 792.5 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544304 | CIF | C18 H22 N4 O4 | P -1 | 7.7923; 7.9651; 8.4455 102.627; 95.961; 114.174 | 455.51 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544305 | CIF | C20 H20 N2 O0 | P n a 21 | 21.105; 6.5848; 11.241 90; 90; 90 | 1562.2 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544306 | CIF | C16 H16 N2 O2 | P 1 21/c 1 | 7.4431; 3.9111; 22.7679 90; 99.239; 90 | 654.19 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544307 | CIF | C12 H12 N9 O2.75 | C 1 2/c 1 | 38.9915; 6.9971; 29.1584 90; 130.424; 90 | 6056 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 1544749 | CIF | C10 Cl8 | P 1 21/n 1 | 9.7188; 7.1598; 18.2787 90; 98.358; 90 | 1258.41 | Sarkar, Sounak; Row, Tayur N. Guru A heuristic approach to evaluate <i>peri</i> interactions <i>versus</i> intermolecular interactions in an overcrowded naphthalene IUCrJ, 2017, 4 |
| 1544782 | CIF | C30 H30 N4 O2 S2 Zn | F d d 2 | 36.662; 37.055; 5.1092 90; 90; 90 | 6940.9 | Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J. Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes IUCrJ, 2017, 4 |
| 1544783 | CIF | C28 H26 F2 N4 O6 S2 Zn | P 1 2/n 1 | 14.871; 4.9627; 20.315 90; 93.183; 90 | 1496.9 | Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J. Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes IUCrJ, 2017, 4 |
| 1544784 | CIF | C28 H20 F2 N4 S2 Zn | P 1 21/c 1 | 10.3095; 12.2083; 20.7566 90; 96.68; 90 | 2594.72 | Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J. Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes IUCrJ, 2017, 4 |
| 1544785 | CIF | C28 H20 F2 N4 S2 Zn | P n m a | 8.276; 24.824; 12.523 90; 90; 90 | 2573 | Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J. Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes IUCrJ, 2017, 4 |
| 1545111 | CIF | Ba | P 21/b 1 1 | 11.608; 11.634; 4.634 90; 90; 90 | 625.81 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545112 | CIF | Ba | P 21/b 1 1 | 11.6146; 11.6256; 4.6341 90; 90; 90 | 625.727 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545113 | CIF | Ba | P 21/b 1 1 | 11.5313; 11.6527; 4.6109 90; 90; 90 | 619.57 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545114 | CIF | Ba | P 21/b 1 1 | 11.5457; 11.5882; 4.599 90; 90; 90 | 615.318 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545115 | CIF | Ba | P 21/b 1 1 | 11.4996; 11.5527; 4.6035 90; 90; 90 | 611.582 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545116 | CIF | Ba | P 21/b 1 1 | 11.439; 11.53; 4.5937 90; 90; 90 | 605.9 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545241 | CIF | C14 H8 O6 Pb S | P n m a | 5.874; 13.082; 19.297 90; 90; 90 | 1482.85 | Alkordi, Mohamed H.; Belmabkhout, Youssef; Cairns, Amy; Eddaoudi, Mohamed Metal‒organic frameworks for H~2~ and CH~4~ storage: insights on the pore geometry‒sorption energetics relationship IUCrJ, 2017, 4, 131-135 |
| 1545537 | CIF | C26 H23 Cl N2 O7 | P 1 21/c 1 | 23.14; 5.19; 21.2642 90; 111.714; 90 | 2372.5 | Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini Acemetacin cocrystal structures by powder X-ray diffraction IUCrJ, 2017, 4 |
| 1545538 | CIF | C27 H26 Cl N3 O8 | P -1 | 21.348; 4.1931; 15.2174 90.567; 101.4; 89.473 | 1335.2 | Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini Acemetacin cocrystal structures by powder X-ray diffraction IUCrJ, 2017, 4 |
| 1545539 | CIF | C27 H24 Cl N3 O7 | P 1 21/c 1 | 4.8977; 40.914; 12.8874 90; 100.328; 90 | 2540.6 | Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini Acemetacin cocrystal structures by powder X-ray diffraction IUCrJ, 2017, 4 |
| 1545540 | CIF | C28 H25 Cl N2 O8 | P 1 21 1 | 17.2939; 4.8191; 16.9544 90; 113.529; 90 | 1295.5 | Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini Acemetacin cocrystal structures by powder X-ray diffraction IUCrJ, 2017, 4 |
| 1545541 | CIF | C26 H27 Cl N2 O7 | P -1 | 11.7638; 20.5548; 5.1627 89.543; 93.3; 96.276 | 1238.8 | Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini Acemetacin cocrystal structures by powder X-ray diffraction IUCrJ, 2017, 4 |
| 1545680 | CIF Paper | C14 H10 Cl2 N2 O2 | P -1 | 8.4492; 9.1167; 9.1545 81.461; 77.033; 80.551 | 673.27 | Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4 |
| 1545681 | CIF Paper | C14 H10 Cl2 N2 O2 | P -1 | 8.3558; 12.7516; 13.0135 78.05; 77.167; 88.734 | 1322.24 | Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4 |
| 1545682 | CIF Paper | C14 H10 Cl2 N2 O2 | P -1 | 7.2798; 13.2794; 14.5473 87.618; 80.816; 75.707 | 1345.3 | Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4 |
| 1545683 | CIF | C14 H10 Cl2 N2 O2 | P -1 | 7.4309; 13.296; 14.694 87.6; 80.034; 75.859 | 1386.5 | Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4 |
| 1545684 | CIF | C14 H10 Br2 N2 O2 | P -1 | 8.3928; 9.2815; 9.3877 81.62; 75.049; 81.589 | 694.45 | Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4 |
| 1545685 | CIF | C14 H10 I2 N2 O2 | P -1 | 8.4678; 9.6066; 9.6522 81.239; 84.45; 72.336 | 738.36 | Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4 |
| 1545809 | CIF | C32 H36 N4 O4 | P 1 21/n 1 | 7.8566; 21.336; 8.3872 90; 90.911; 90 | 1405.8 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545810 | CIF | C30 H34 N2 O4 S2 | P 1 21/n 1 | 7.7971; 22.217; 7.9179 90; 91.479; 90 | 1371.1 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545811 | CIF | C43 H49 N5 O4 | P -1 | 7.409; 8.781; 15.36 81.63; 86.57; 78.64 | 969 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545812 | CIF | C29 H30 N2 O2 | P 1 21/c 1 | 7.5571; 24.125; 12.9363 90; 92.034; 90 | 2357 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545813 | CIF | C34 H38 N2 O4 | P 1 21/n 1 | 8.292; 20.615; 8.47 90; 92.435; 90 | 1446.6 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545814 | CIF | C44 H46 N6 O4 | P -1 | 7.485; 8.797; 14.171 96.618; 93.306; 91.826 | 924.6 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545815 | CIF | C42 H44 N4 O4 S2 | P -1 | 7.492; 9.069; 13.643 98.069; 92.516; 91.428 | 916.5 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545816 | CIF | C90 H96 N10 O8 | P -1 | 7.3795; 8.8871; 29.533 89.495; 84.054; 85.281 | 1919.9 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545817 | CIF | C75 H73 N8 O6 | P -1 | 7.478; 8.739; 23.37 92.36; 90.29; 93.131 | 1524 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545818 | CIF | C46 H48 N4 O4 | P -1 | 7.528; 8.948; 14.11 96.219; 94.61; 90.598 | 942 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545819 | CIF | C44 H48 N6 O4 | P -1 | 7.4957; 8.7882; 14.308 97.049; 94.334; 91.781 | 931.9 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545820 | CIF | C42 H46 N4 O4 S2 | P -1 | 7.531; 9.026; 13.941 98.18; 92.03; 91.235 | 937 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545821 | CIF | C75 H75 N8 O6 | P -1 | 7.4611; 8.7285; 23.6219 92.85; 91.347; 93.317 | 1533.34 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545822 | CIF | C77 H79 N8 O5 | P -1 | 7.4709; 8.7326; 23.6381 92.857; 91.317; 93.293 | 1537.18 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545823 | CIF | C77 H77 N6 O6 | P -1 | 7.4914; 8.8265; 23.583 92.722; 92.976; 91.626 | 1554.77 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545824 | CIF | C46 H50 N4 O4 | P -1 | 7.5407; 8.9198; 14.284 96.506; 96.093; 90.634 | 948.9 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545825 | CIF | C27 H38 N2 O2 | P 1 21/c 1 | 8.356; 24.894; 11.744 90; 96.324; 90 | 2428 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545826 | CIF | C50 H52 N4 O4 | P -1 | 7.546; 9.4647; 14.8318 85.58; 77.14; 86.77 | 1028.8 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545827 | CIF | C42 H48 N6 O4 | P -1 | 7.324; 8.723; 15.107 82.27; 88.73; 78.76 | 938 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545828 | CIF | C31 H30 N2 O2 | P 1 21/c 1 | 8.0059; 24.903; 12.0892 90; 91.065; 90 | 2409.8 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545829 | CIF | C44 H50 N4 O4 | P -1 | 7.195; 8.865; 15.981 80.52; 84.2; 79.19 | 985 | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ, 2016, 3, 96-101 |
| 1545830 | CIF Paper | C9 H11 N5 O4 S2 | P 1 21/n 1 | 4.9138; 33.192; 8.3659 90; 99.52; 90 | 1345.7 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545831 | CIF Paper | C14 H16 N6 O5 S2 | P -1 | 6.8501; 11.3563; 12.3387 82.288; 81.856; 75.804 | 916.19 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545832 | CIF Paper | C10 H19 N5 O5 S2 | P -1 | 4.9969; 11.6983; 14.6244 70.868; 81.892; 80.262 | 792.65 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545833 | CIF Paper | C5 H9 N4 O3.5 S2.5 | C 1 2/c 1 | 52.62; 4.816; 17.814 90; 106.785; 90 | 4322 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545834 | CIF Paper | C10 H13 N5 O4 S2 | P 1 c 1 | 11.3972; 18.1641; 10.338 90; 97.046; 90 | 2124 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545835 | CIF Paper | C10 H12 N6 O4 S2 | P -1 | 5.1477; 10.8147; 14.2604 69.797; 85.463; 81.889 | 737.2 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545836 | CIF Paper | C15 H17 N7 O5 S2 | P -1 | 7.0347; 10.2539; 13.7934 81.685; 83.028; 88.283 | 977.14 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545837 | CIF Paper | C10 H15 N5 O6 S2 | P -1 | 7.7872; 10.213; 10.2464 88.192; 76.587; 77.996 | 775.22 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545838 | CIF Paper | C14 H24 N6 O5 S2 | P 1 21/c 1 | 9.66166; 23.4685; 8.84352 90; 100.773; 90 | 1969.88 | Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ, 2016, 3, 152-160 |
| 1545839 | CIF | C38 H52 N6 O4 | P -1 | 8.8712; 10.1819; 11.2862 114.633; 93.749; 101 | 897.56 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545840 | CIF | C120 H160 N16 O17 | C 1 2/c 1 | 15.533; 8.564; 21.8 90; 93.873; 90 | 2893 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545841 | CIF | C36 H48 N6 O6 | P 1 21/c 1 | 15.6084; 13.4786; 17.2209 90; 90.2; 90 | 3622.9 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545842 | CIF | C64 H56 N4 O4 | P -1 | 9.0005; 10.0381; 14.4894 108.432; 101.78; 90.484 | 1212 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545843 | CIF | C29 H31 N3 O2 | P -1 | 8.9943; 9.5169; 14.927 74.162; 77.589; 89.115 | 1199.2 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545844 | CIF | C62 H54 N6 O4 | P -1 | 9.034; 9.889; 14.505 107.761; 101.019; 91.432 | 1206.5 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545845 | CIF | C54 H54 N6 O6 | P -1 | 8.6332; 9.0194; 14.869 105.2; 91.263; 91.519 | 1116.4 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545846 | CIF | C44 H44 N6 O6 | P -1 | 7.812; 8.763; 14.3 95.009; 95.415; 101.04 | 950.9 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545847 | CIF | C56 H56 N6 O8 | P -1 | 10.151; 11.2084; 12.3363 102.012; 105.153; 112.368 | 1176.1 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545848 | CIF | C38 H46 N4 O4 S2 | P -1 | 8.662; 10.289; 11.523 65.003; 76.93; 80.277 | 903.5 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545849 | CIF | C24 H23 N2 O2 | P -1 | 8.971; 10.078; 11.666 109.665; 94.353; 90.742 | 989.5 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545850 | CIF | C42 H58 N4 O4 | P 1 21/c 1 | 11.4579; 11.8325; 14.9792 90; 107.229; 90 | 1939.7 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545851 | CIF | C46 H44 N6 O4 | P -1 | 8.983; 12.712; 17.561 89.485; 76.291; 82.933 | 1933 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545852 | CIF | C23 H22 N3 O2 | P -1 | 8.778; 10.491; 12.095 66.387; 81.548; 69.631 | 956.7 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545853 | CIF | C46 H50 N4 O4 | P -1 | 8.921; 10.723; 10.954 67.417; 81.183; 78.367 | 944.3 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545854 | CIF | C40 H48 N6 O6 | P -1 | 8.284; 8.564; 14.6 78.65; 87.26; 64.4 | 915 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545855 | CIF | C44 H40 N6 O6 | P -1 | 9.012; 11.241; 18.355 94.296; 93.207; 92.248 | 1850 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545856 | CIF | C56 H48 N8 O6 | P -1 | 7.576; 9.081; 16.503 96.651; 90.601; 91.433 | 1127.3 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545857 | CIF | C44 H46 N4 O6 | P 1 21/c 1 | 8.876; 11.941; 17.98 90; 97.072; 90 | 1891.2 | Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ, 2016, 3, 102-107 |
| 1545858 | CIF | C66 H84 I6 N12 Zn3 | C 1 2/c 1 | 34.376; 15.0832; 29.6413 90; 100.675; 90 | 15103 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545859 | CIF | C73.5 H78.76 I6 N12 Zn3 | C 1 2/c 1 | 35.0725; 14.8911; 30.9658 90; 101.956; 90 | 15821.6 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545860 | CIF | C285 H317 I24 N48 O15 Zn12 | P 1 21 1 | 32.8072; 14.9123; 34.9062 90; 105.822; 90 | 16430.2 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545861 | CIF | C61.47 H64.79 I6.01 N12 O4.06 Zn3 | C 1 2/c 1 | 34.4746; 15.0255; 30.1535 90; 99.681; 90 | 15397 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545862 | CIF | C75 H72 I6 N12 O10.5 Zn3 | C 1 2/c 1 | 34.1414; 14.5641; 34.9597 90; 108.633; 90 | 16472.2 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545863 | CIF | C67 H66 I6 N12 O9 Zn3 | C 1 2/c 1 | 34.9043; 14.955; 30.3469 90; 100.074; 90 | 15596.7 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545864 | CIF | C69.69 H80.8 I6 N14.11 Zn3 | C 1 2/c 1 | 36.8116; 14.6974; 30.6993 90; 103.07; 90 | 16179.1 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545865 | CIF | C58.32 H48.8 I6 N14.2 O6.61 Zn3 | C 1 2/c 1 | 32.5791; 15.2458; 29.0346 90; 98.398; 90 | 14266.7 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545866 | CIF | C64.44 H65.6 I6 N12 O1.48 Zn3 | C 1 2/c 1 | 35.1288; 14.767; 30.8649 90; 101.432; 90 | 15693.4 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545867 | CIF | C120.9 H108 I11.99 N24 O12.59 Zn5.99 | P -1 | 14.8292; 17.9234; 29.9062 96.836; 93.529; 110.142 | 7364.6 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545868 | CIF | C123 H113.6 I12 N24 O12.14 Zn6 | P -1 | 14.8303; 17.913; 29.8943 96.803; 93.488; 110.229 | 7355 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545869 | CIF | C123 H112.85 I11.99 N24 O12.39 Zn5.99 | P -1 | 14.8303; 17.913; 29.8943 96.803; 93.488; 110.229 | 7355 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545870 | CIF | C71.25 H57.96 Br1.92 I6 N12 Zn3 | C 1 2/c 1 | 35.8691; 14.8864; 31.2823 90; 102.711; 90 | 16294.2 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545871 | CIF | C60.92 H58.15 I6 N12 O5.89 Zn3 | C 1 2/c 1 | 34.0465; 14.9235; 30.8377 90; 100.629; 90 | 15399.6 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1546012 | CIF Paper | C12 H10 Cl I O4 | P 1 21/c 1 | 12.232; 12.7073; 17.15 90; 103.5; 90 | 2592.1 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546013 | CIF | C12 H10 F6 I P | P 1 21/n 1 | 5.9721; 12.9442; 18.387 90; 96.195; 90 | 1413.1 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546014 | CIF | C33 H22 Cl2 F18 I2 O3 | P -1 | 11.7183; 13.4322; 14.8978 113.429; 107.498; 101.366 | 1913 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546015 | CIF | C36 H24 B0.5 Br5.5 F8 | P 43 3 2 | 15.4248; 15.4248; 15.4248 90; 90; 90 | 3669.9 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546016 | CIF | C36 H24 B Br3 Cl2 F10 | P 41 3 2 | 15.2905; 15.2905; 15.2905 90; 90; 90 | 3574.9 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546017 | CIF | C14 H12 B Br F4 O2 | P -1 | 8.1574; 10.0848; 10.157 89.158; 72.819; 66.607 | 727.64 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546113 | CIF | C24 H18 B F10 N | P -4 21 c | 22.206; 22.206; 8.692 90; 90; 90 | 4286.1 | Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4 |
| 1546114 | CIF | C24 H18 B F10 N | P -4 21 c | 22.206; 22.206; 8.692 90; 90; 90 | 4286.1 | Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4 |
| 1546115 | CIF | C20 H23 P S | P b c a | 10.9323; 14.5698; 21.091 90; 90; 90 | 3359.4 | Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4 |
| 1546116 | CIF | C20 H23 P S | P b c a | 10.932; 14.57; 21.091 90; 90; 90 | 3359.4 | Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4 |
| 1546261 | CIF | C14 H15 N3 O4 | C 1 2/c 1 | 28.685; 6.783; 13.975 90; 94.175; 90 | 2712 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
| 1546262 | CIF | C14 H15 N3 O4 | C 1 2/c 1 | 28.86; 6.791; 14.243 90; 95.4097; 90 | 2779 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
| 1546263 | CIF | C14 H13 N3 O6 | P 1 21/c 1 | 8.439; 14.091; 12.167 90; 95.5; 90 | 1440.2 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
| 1546264 | CIF | C14 H13 N3 O6 | P 1 21/c 1 | 8.574; 14.346; 12.19 90; 94.44; 90 | 1495 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
| 1546265 | CIF | C14 H14 N2 O4 | P -1 | 6.631; 7.032; 14.216 87.967; 88.58; 80.207 | 652.7 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
| 1546266 | CIF | C14 H14 N2 O4 | P -1 | 6.7302; 7.1859; 14.298 88.158; 88.34; 78.636 | 677.4 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
| 1546267 | CIF | C12 H8 Cl5 N O | P -1 | 7.316; 8.942; 11.763 70.15; 84.67; 76.24 | 703 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
| 1546268 | CIF | C12 H8 Cl5 N O | P -1 | 7.389; 8.922; 12.014 69.82; 85.61; 76.26 | 722.1 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
| 1546269 | CIF | C12 H8 Cl5 N O | P -1 | 7.3382; 8.8986; 11.8245 69.945; 85.055; 76.133 | 704.17 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
| 1546270 | CIF | C12 H8 Cl5 N O | P -1 | 7.3857; 8.9202; 12.0227 69.77; 85.869; 76.324 | 722.1 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
| 1546475 | CIF | C3 H10 O11 Sm | P 1 21/c 1 | 11.5863; 9.608; 10.1371 90; 118.906; 90 | 987.88 | Matvienko, Alexander A.; Maslennikov, Daniel V.; Zakharov, Boris A.; Sidelnikov, Anatoly A.; Chizhik, Stanislav A.; Boldyreva, Elena V. Structural aspects of displacive transformations: what can optical microscopy contribute? Dehydration of Sm~2~(C~2~O~4~)~3~·10H~2~O as a case study IUCrJ, 2017, 4 |
| 1546476 | CIF | C3 H6 O9 Sm | P 1 21/c 1 | 8.4368; 9.7963; 9.4986 90; 90.393; 90 | 785.04 | Matvienko, Alexander A.; Maslennikov, Daniel V.; Zakharov, Boris A.; Sidelnikov, Anatoly A.; Chizhik, Stanislav A.; Boldyreva, Elena V. Structural aspects of displacive transformations: what can optical microscopy contribute? Dehydration of Sm~2~(C~2~O~4~)~3~·10H~2~O as a case study IUCrJ, 2017, 4 |
| 1546775 | CIF | B2 Ca O8 Si2 | P n a m | 6.8576; 8.1526; 7.7457 90; 90; 90 | 433.04 | Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite IUCrJ, 2017, 4 |
| 1546776 | CIF | B2 Ca O8 Si2 | P n a m | 6.3537; 7.9518; 8.0112 90; 90; 90 | 404.75 | Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite IUCrJ, 2017, 4 |
| 1546777 | CIF | B2 Ca O8 Si2 | P -1 | 5.479; 5.532; 6.681 91.74; 104.57; 95.59 | 194.7 | Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite IUCrJ, 2017, 4 |
| 1546778 | CIF | B4 Ca2 O16 Si4 | P 1 21/c 1 | 7.9989; 7.8697; 6.249 90; 89.75; 90 | 393.4 | Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite IUCrJ, 2017, 4 |
| 1546928 | CIF | C2 D5 N O2 | I 1 | 5.1; 6.285; 5.4295 85.815; 114.456; 104.136 | 153.545 | Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G. ζ-Glycine: insight into the mechanism of a polymorphic phase transition IUCrJ, 2017, 4, 569-574 |
| 1546929 | CIF | C2 D5 N O2 | P 1 n 1 | 5.023; 5.9846; 5.4946 90; 114.654; 90 | 150.11 | Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G. ζ-Glycine: insight into the mechanism of a polymorphic phase transition IUCrJ, 2017, 4, 569-574 |
| 1546930 | CIF | C2 D5 N O2 | P 1 21 1 | 5.0907; 6.25954; 5.3871 90; 113.261; 90 | 157.709 | Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G. ζ-Glycine: insight into the mechanism of a polymorphic phase transition IUCrJ, 2017, 4, 569-574 |
| 1546931 | CIF | C2 D5 N O2 | I 1 | 5.1029; 6.345; 5.4331 85.91; 114.26; 103.55 | 155.85 | Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G. ζ-Glycine: insight into the mechanism of a polymorphic phase transition IUCrJ, 2017, 4, 569-574 |
| 1547808 | CIF Paper | C13 H9 Cl2 N3 O2 | P 1 21/c 1 | 8.0683; 10.7464; 15.6155 90; 90.89; 90 | 1353.78 | Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions IUCrJ, 2017, 4, 812-823 |
| 1547809 | CIF Paper | C13 H9 Cl2 N3 O2 | P c a 21 | 15.441; 8.3179; 10.6014 90; 90; 90 | 1361.6 | Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions IUCrJ, 2017, 4, 812-823 |
| 1547810 | CIF Paper | C13 H9 Cl2 N3 O2 | P 1 21/c 1 | 8.6916; 10.2641; 15.4965 90; 90.186; 90 | 1382.46 | Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions IUCrJ, 2017, 4, 812-823 |
| 1547811 | CIF | C13 H9 Br2 N3 O2 | P 1 21/c 1 | 8.266; 10.917; 15.734 90; 95.82; 90 | 1412.5 | Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions IUCrJ, 2017, 4, 812-823 |
| 1547812 | CIF | C13 H9 Br2 N3 O2 | P -1 | 9.8084; 10.7751; 13.9516 103.219; 94.907; 91.018 | 1429.11 | Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions IUCrJ, 2017, 4, 812-823 |
| 1547813 | CIF | C13 H9 Br Cl N3 O2 | P 1 21/c 1 | 8.2475; 10.8035; 15.7971 90; 96.098; 90 | 1399.6 | Mittapalli, Sudhir; Perumalla, D. Sravanakumar; Nanubolu, Jagadeesh Babu; Nangia, Ashwini Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions IUCrJ, 2017, 4, 812-823 |
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