Crystallography Open Database
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Searching journal of publication like 'IuCrJ'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 1547814 | CIF | C13 H9 Br Cl N3 O2 | P 1 21/c 1 | 8.651; 10.446; 15.68 90; 94.116; 90 | 1413.3 | 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 |
| 1547815 | CIF | C13 H9 I2 N3 O2 | P 1 21/c 1 | 8.2946; 11.2673; 16.2177 90; 97.993; 90 | 1500.95 | 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 |
| 1547816 | CIF | C13 H9 F2 N3 O2 | P 1 21/c 1 | 7.897; 10.396; 14.989 90; 92.27; 90 | 1229.6 | 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 |
| 1548112 | CIF Paper | C8 H8 Cd Cl2 N4 O2 | P 1 21/c 1 | 3.7833; 7.6139; 20.1473 90; 92.131; 90 | 579.96 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
| 1548113 | CIF | C8 H8 Br2 Cd N4 O2 | P 1 21/c 1 | 3.9043; 7.718; 20.6142 90; 92.442; 90 | 620.61 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
| 1548114 | CIF | C8 H8 Cd I2 N4 O2 | P 1 21/c 1 | 4.1497; 7.8783; 21.0091 90; 92.551; 90 | 686.16 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
| 1548115 | CIF | C8 H8 Br2 Cd N4 O2 | P 1 21/n 1 | 3.884; 23.164; 7.0359 90; 93.712; 90 | 631.68 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
| 1548116 | CIF | C8 H8 Cd I2 N4 O2 | P 1 21/c 1 | 4.0953; 7.8089; 21.7078 90; 92.307; 90 | 693.65 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
| 1548117 | CIF | C16 H12 Br2 Cd N4 O2 | I 1 2/a 1 | 18.259; 3.867; 24.2737 90; 95.491; 90 | 1706.04 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
| 1548118 | CIF | C16 H12 Cd I2 N4 O2 | I 1 2/a 1 | 19.7099; 6.8535; 13.631 90; 98.052; 90 | 1823.15 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
| 1548908 | CIF Paper | Al O4 P | R -3 :R | 9.609; 9.609; 9.609 94.46; 94.46; 94.46 | 878.7 | Tinti, Gemma; Fröjdh, Erik; van Genderen, Eric; Gruene, Tim; Schmitt, Bernd; de Winter, D. A. Matthijs; Weckhuysen, Bert M.; Abrahams, Jan Pieter Electron crystallography with the EIGER detector IUCrJ, 2018, 5, 190-199 |
| 1549161 | CIF Paper | C20 H24 N2 O10 Zn2 | P n n m | 7.4159; 19.318; 7.3457 90; 90; 90 | 1052.3 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549162 | CIF | C17 H18 N2 O5 Zn | P 1 21/c 1 | 8.2852; 10.4999; 21.684 90; 117.282; 90 | 1676.5 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549163 | CIF | C17 H17 N2 O4.25 Zn | P n n a | 8.3; 10.4; 19.74 90; 90; 90 | 1704 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549164 | CIF | C22 H24 N2 O8 Zn | C 1 2/c 1 | 18.0211; 5.8795; 21.7192 90; 113.89; 90 | 2104.1 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549165 | CIF | C17 H20 N2 O5 Zn | P 1 21/c 1 | 8.4434; 10.3811; 21.551 90; 115.928; 90 | 1698.8 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549166 | CIF | C22 H24 N3 O5 Zn | P 1 21/c 1 | 11.1832; 8.2422; 23.832 90; 99.143; 90 | 2168.8 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549167 | CIF | C34 H50 N4 O14 Zn | C 1 2/c 1 | 22.6008; 11.4154; 17.1552 90; 120.308; 90 | 3821.1 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549168 | CIF | C22 H22.5 N2.5 O4 Zn | C m c m | 9.8266; 22.0654; 22.1641 90; 90; 90 | 4805.8 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549169 | CIF | C22 H22.5 N2.5 O4 Zn | P b c n | 9.845; 22.082; 21.905 90; 90; 90 | 4762 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549170 | CIF | C38 H48 N4 O12 Zn | C 1 2/m 1 | 22.881; 6.8976; 14.1573 90; 117.532; 90 | 1981.3 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549171 | CIF | C38 H48 N4 O12 Zn | C 1 2/c 1 | 26.8028; 6.8933; 23.069 90; 110.021; 90 | 4004.6 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549172 | CIF | C19 H22.75 N2 O4.38 Zn | C 2 2 21 | 24.662; 37.18; 8.7826 90; 90; 90 | 8053.1 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549175 | CIF | C12 H8 S3 | P 1 21/n 1 | 43.822; 5.689; 48.331 90; 106.79; 90 | 11535 | Resel, Roland; Jones, Andrew O. F.; Schweicher, Guillaume; Fischer, Roland; Demitri, Nicola; Geerts, Yves Henri Polymorphism of terthiophene with surface confinement IUCrJ, 2018, 5 |
| 1549229 | CIF | C16 H21 N7 O3 S | P -1 | 10.8022; 13.9084; 14.6076 115.284; 109.088; 90.525 | 1846.65 | Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ, 2018, 5 |
| 1549230 | CIF | C18 H23 N7 O5 S | P 1 21/c 1 | 13.5226; 14.9966; 10.6958 90; 104.179; 90 | 2102.95 | Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ, 2018, 5 |
| 1549231 | CIF | C34 H44 N14 O6 S2 | P -1 | 11.0286; 13.7429; 14.9742 115.247; 109.951; 90.122 | 1900.25 | Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ, 2018, 5 |
| 1549232 | CIF | C35 H46 N14 O6 S2 | P -1 | 14.075; 14.8889; 19.635 86.408; 88.142; 71.702 | 3898.7 | Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ, 2018, 5 |
| 1549233 | CIF | C37 H50 N14 O6 S2 | P 1 21/n 1 | 15.0338; 11.5004; 24.396 90; 104.539; 90 | 4082.87 | Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ, 2018, 5 |
| 1549234 | CIF | C34 H39 N15 O4 S2 | P 1 21/n 1 | 14.8461; 12.3081; 21.285 90; 105.176; 90 | 3753.71 | Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ, 2018, 5 |
| 1549235 | CIF | C39 H46 N14 O3 S | P -1 | 11.2398; 13.2439; 15.4624 113.595; 103.527; 91.977 | 2029.46 | Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ, 2018, 5 |
| 1549267 | CIF | C26 H15 N5 O | P -1 | 9.3241; 9.5329; 12.0593 83.218; 66.653; 80.098 | 967.99 | Ostrowska, Katarzyna; Ceresoli, Davide; Stadnicka, Katarzyna; Gryl, Marlena; Cazzaniga, Marco; Soave, Raffaella; Musielak, Bogdan; Witek, Łukasz J.; Goszczycki, Piotr; Grolik, Jarosław; Turek, Andrzej M. π‒π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-triazaacephenanthrylene IUCrJ, 2018, 5 |
| 1549268 | CIF | C26 H15 N5 O | P -1 | 9.2504; 9.4009; 11.9245 84.147; 67.347; 81.113 | 944.47 | Ostrowska, Katarzyna; Ceresoli, Davide; Stadnicka, Katarzyna; Gryl, Marlena; Cazzaniga, Marco; Soave, Raffaella; Musielak, Bogdan; Witek, Łukasz J.; Goszczycki, Piotr; Grolik, Jarosław; Turek, Andrzej M. π‒π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-triazaacephenanthrylene IUCrJ, 2018, 5 |
| 1549525 | CIF | C4 H6 Cl N3 O | P 1 21/n 1 | 8.1481; 6.8774; 10.9947 90; 95.97; 90 | 612.777 | Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions IUCrJ, 2018, 5 |
| 1549526 | CIF | C5 H7 Cl N5 O0.5 | P 1 2/n 1 | 8.6936; 4.8189; 17.6971 90; 93.526; 90 | 739.992 | Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions IUCrJ, 2018, 5 |
| 1549527 | CIF | C2.5 H3.5 Cl N2.5 O0.5 | P n m a | 13.5939; 6.4841; 9.86 90; 90; 90 | 869.1 | Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions IUCrJ, 2018, 5 |
| 1549598 | CIF Paper | Al4.857 O9.571 Si1.143 | P b a m | 7.5787; 7.6707; 2.8836 90; 90; 90 | 167.635 | Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ, 2018, 5 |
| 1549599 | CIF Paper | Al4.832 O9.584 Si1.168 | P b a m | 7.577; 7.6727; 2.8804 90; 90; 90 | 167.46 | Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ, 2018, 5 |
| 1549600 | CIF Paper | Al4.868 O9.566 Si1.132 | P b a m | 7.5768; 7.676; 2.8833 90; 90; 90 | 167.69 | Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ, 2018, 5 |
| 1549601 | CIF Paper | Al4.853 O9.574 Si1.147 | P b a m | 7.577; 7.6738; 2.8823 90; 90; 90 | 167.59 | Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ, 2018, 5 |
| 1549602 | CIF | C52 H24 F16 I4 N4 | P 1 21/c 1 | 13.0184; 9.7153; 19.986 90; 104.649; 90 | 2445.6 | Sinnwell, Michael A.; Blad, Jared N.; Thomas, Logan R.; MacGillivray, Leonard R. Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization IUCrJ, 2018, 5 |
| 1549603 | CIF | C52 H24 F16 I4 N4 | P 1 21/c 1 | 12.9647; 10.2219; 19.519 90; 109.387; 90 | 2440.1 | Sinnwell, Michael A.; Blad, Jared N.; Thomas, Logan R.; MacGillivray, Leonard R. Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization IUCrJ, 2018, 5 |
| 1549713 | CIF | C42 H46 Mn0.5 N6 O14 S2 | P -1 | 9.7187; 11.2496; 21.8708 88.401; 83.848; 64.446 | 2144.39 | Fidalgo-Marijuan, Arkaitz; Amayuelas, Eder; Barandika, Gotzone; Larrea, Edurne S.; Bazán, Begoña; Urtiaga, Miren Karmele; Iglesias, Marta; Arriortua, María Isabel Double role of metalloporphyrins in catalytic bioinspired supramolecular metal‒organic frameworks (SMOFs) IUCrJ, 2018, 5 |
| 1549881 | CIF | C13 H8 Br N O Se | P 1 21/n 1 | 7.6043; 13.4161; 11.8847 90; 103.676; 90 | 1178.1 | Shukla, Rahul; Claiser, Nicolas; Souhassou, Mohamed; Lecomte, Claude; Balkrishna, Shah Jaimin; Kumar, Sangit; Chopra, Deepak Exploring the simultaneous σ-hole/π-hole bonding characteristics of a Br···π interaction in an ebselen derivative <i>via</i> experimental and theoretical electron-density analysis IUCrJ, 2018, 5, 647-653 |
| 1549947 | CIF | C10 H12 N2 | P c a m | 8.99566; 21.5226; 9.8982 90; 90; 90 | 1916.39 | Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole IUCrJ, 2018, 5 |
| 1549948 | CIF | C10 H12 N2 | P c a 21 | 9.0006; 20.7778; 9.7487 90; 90; 90 | 1823.13 | Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole IUCrJ, 2018, 5 |
| 1549949 | CIF | C10 H12 N2 | P n a 21 | 8.6825; 42.095; 9.7523 90; 90; 90 | 3564.4 | Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole IUCrJ, 2018, 5 |
| 1550099 | CIF | C31 H34 N2 O5 | P 1 21/c 1 | 11.0695; 17.736; 13.5179 90; 97.3794; 90 | 2631.97 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550100 | CIF | C31 H34 N2 O6 | P 1 21/c 1 | 11.235; 17.6516; 13.4798 90; 96.269; 90 | 2657.27 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550101 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 11.3258; 17.8349; 13.4077 90; 95.8; 90 | 2694.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550102 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 10.843; 17.862; 13.913 90; 91.715; 90 | 2693.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550103 | CIF | C31 H34 N2 O7 | P 1 21 1 | 11.4733; 17.6286; 13.653 90; 93.29; 90 | 2756.88 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550104 | CIF | C31 H34 N2 O5.9 | P 1 21/c 1 | 11.197; 17.627; 13.199 90; 96.347; 90 | 2589.1 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550105 | CIF | C31 H34.42 N2 O6.42 | P 1 21/c 1 | 11.282; 17.856; 13.46 90; 96.06; 90 | 2696.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550106 | CIF | C62 H67.84 N4 O11.72 | P 1 21 1 | 11.346; 17.508; 13.4 90; 98.15; 90 | 2635 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550107 | CIF | C31 H34 N2 O6.51 | P 1 21/c 1 | 11.253; 17.66; 13.247 90; 95.787; 90 | 2619.1 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550108 | CIF | C31 H34.55 N2 O6.14 | P 1 21/c 1 | 11.176; 17.608; 13.305 90; 95.426; 90 | 2606.5 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550109 | CIF | C31 H34 N2 O6.47 | P 1 21/c 1 | 11.487; 17.514; 13.31 90; 95.95; 90 | 2663 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550110 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 11.195; 17.69; 13.449 90; 94.4; 90 | 2656 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550111 | CIF | C31 H33 N2 O7 | P 1 21/c 1 | 11.475; 17.669; 13.248 90; 94.87; 90 | 2676 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550112 | CIF | C31 H34.12 N2 O6.33 | P 1 21/c 1 | 11.296; 17.807; 13.459 90; 95.99; 90 | 2692.5 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550113 | CIF | C31 H34 N2 O6.17 | P 1 21/c 1 | 11.199; 17.71; 13.4 90; 94.85; 90 | 2648 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550114 | CIF | C31 H34 N2 O6.27 | P 1 21/c 1 | 11.369; 17.66; 13.539 90; 95.632; 90 | 2705.2 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550115 | CIF | C31 H34 N2 O6.46 | P 1 21/c 1 | 11.102; 17.701; 13.437 90; 94.667; 90 | 2632 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550116 | CIF | C31 H34 N2 O6.4 | P 1 21/c 1 | 11.41; 17.772; 13.55 90; 95.891; 90 | 2733.1 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550117 | CIF | C31 H34 N2 O6.81 | P 1 21/c 1 | 11.405; 17.746; 13.511 90; 95.49; 90 | 2721.99 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550118 | CIF | C62 H68.91 N4 O13.03 | P 1 21 1 | 11.246; 17.607; 13.523 90; 94.19; 90 | 2671 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550119 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 11.319; 17.672; 13.391 90; 93.9; 90 | 2672.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550120 | CIF | C31.1 H33.33 N2 O6.35 | P 1 21/c 1 | 11.153; 17.701; 13.336 90; 95.232; 90 | 2621.8 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550121 | CIF | C31 H34 N2 O6.69 | P 1 21/c 1 | 11.404; 17.591; 13.269 90; 95.526; 90 | 2649 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550122 | CIF | C62 H67.8 N4 O12.63 | P 1 21 1 | 11.237; 17.571; 13.374 90; 94.584; 90 | 2632.2 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550123 | CIF | C31 H34 N2 O6.49 | P 1 21/c 1 | 11.279; 17.633; 13.377 90; 94.51; 90 | 2652 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550124 | CIF | C31 H34 N2 O8 | P 1 21/c 1 | 11.074; 17.895; 14 90; 92.859; 90 | 2770.9 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550146 | CIF Paper | C16 H14 O3 | P -1 | 6.0671; 7.5611; 13.8523 92.078; 93.838; 90.994 | 633.49 | Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen IUCrJ, 2018, 5 |
| 1550147 | CIF | C16 H14 O3 | P 21 21 21 | 6.113; 7.3809; 55.524 90; 90; 90 | 2505.2 | Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen IUCrJ, 2018, 5 |
| 1550148 | CIF | C16 H14 O3 | P 21 21 21 | 6.113; 7.3809; 55.524 90; 90; 90 | 2505.2 | Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen IUCrJ, 2018, 5 |
| 1550342 | CIF Paper | C15.5 H17 Cu N3.5 O5.75 | P 1 21/c 1 | 10.8431; 11.8835; 14.4823 90; 109.361; 90 | 1760.57 | Wang, Sujuan; Wei, Zhang-Wen; Zhang, Jianyong; Jiang, Long; Liu, Dingxin; Jiang, Ji-Jun; Si, Rui; Su, Cheng-Yong Framework disorder and its effect on selective hysteretic sorption of a T-shaped azole-based metal‒organic framework IUCrJ, 2019, 6 |
| 1550370 | CIF Paper | C4 H9 Co N O6 | P n m a | 8.2674; 11.66; 8.1483 90; 90; 90 | 785.48 | Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound IUCrJ, 2019, 6, 105-115 |
| 1550371 | CIF Paper | C4 H9 Co N O6 | P n m a | 8.2556; 11.6519; 8.1508 90; 90; 90 | 784.05 | Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound IUCrJ, 2019, 6, 105-115 |
| 1550372 | CIF Paper | C4 H9 Co N O6 | P n m a | 8.2702; 11.6766; 8.1631 90; 90; 90 | 788.29 | Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound IUCrJ, 2019, 6, 105-115 |
| 1550373 | CIF Paper | C4 H9 Co N O6 | P n m a | 8.2548; 11.6547; 8.1521 90; 90; 90 | 784.29 | Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound IUCrJ, 2019, 6, 105-115 |
| 1550383 | CIF | Al2 Eu4 F2 O8 | P 1 21/c 1 | 7.5885; 10.8399; 11.0776 90; 108.788; 90 | 862.67 | Morán-Ruiz, Aroa; Wain-Martin, Aritza; Orera, Alodia; Sanjuán, María Luisa; Larrañaga, Aitor; Slater, Peter R.; Arriortua, Maribel Synthesis of new Ln~4~(Al~2~O~6~F~2~)O~2~ (Ln = Sm, Eu, Gd) phases with a cuspidine-related structure IUCrJ, 2019, 6, 128-135 |
| 1550384 | CIF | Al2 F2 O8 Sm4 | P 1 21/c 1 | 7.6188; 10.8705; 11.1077 90; 108.805; 90 | 870.84 | Morán-Ruiz, Aroa; Wain-Martin, Aritza; Orera, Alodia; Sanjuán, María Luisa; Larrañaga, Aitor; Slater, Peter R.; Arriortua, Maribel Synthesis of new Ln~4~(Al~2~O~6~F~2~)O~2~ (Ln = Sm, Eu, Gd) phases with a cuspidine-related structure IUCrJ, 2019, 6, 128-135 |
| 1550439 | CIF | C16 H26 | P 1 21/n 1 | 14.3334; 5.56223; 8.53021 90; 92.0219; 90 | 679.65 | van de Streek, Jacco; Alig, Edith; Parsons, Simon; Vella-Zarb, Liana A jumping crystal predicted with molecular dynamics and analysed with TLS refinement against powder diffraction data IUCrJ, 2019, 6, 136-144 |
| 1550440 | CIF | C7 H15 Cl N2 O | P 1 21 1 | 7.2588; 8.9399; 22.7927 90; 95.818; 90 | 1471.47 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550441 | CIF | C7 H15 I N2 O | P b c a | 13.4725; 9.8551; 32.7259 90; 90; 90 | 4345.11 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550442 | CIF | C7 H15 Cl N2 O | P 1 21 1 | 7.2902; 8.9099; 7.8789 90; 107.024; 90 | 489.35 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550443 | CIF | C7 H15 Br N2 O | P 1 21 1 | 7.5269; 9.1017; 7.93 90; 107.161; 90 | 519.08 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550444 | CIF | C7 H15 I N2 O | P 21 21 21 | 7.585; 10.8242; 13.0468 90; 90; 90 | 1071.16 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550445 | CIF | C14 H30 B Cl F4 N4 O2 | P 21 21 21 | 9.4006; 13.2619; 16.6581 90; 90; 90 | 2076.76 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550446 | CIF | C22 H27 Br N2 O4 S | P 21 21 21 | 6.106; 9.0317; 42.33 90; 90; 90 | 2334.4 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550447 | CIF | C22 H27 I N2 O4 S | P 21 21 21 | 6.2219; 9.0228; 43.0569 90; 90; 90 | 2417.17 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550448 | CIF | C22 H27 N3 O7 S | P 21 21 21 | 6.3765; 8.8174; 42.942 90; 90; 90 | 2414.38 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550449 | CIF | C22 H32 N2 O9.5 P S | P 1 | 8.7929; 12.6645; 23.7867 82.3345; 81.4117; 89.9824 | 2595.2 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550450 | CIF | C15 H24 N2 O5 | P 1 21 1 | 11.47377; 6.14747; 11.71348 90; 111.978; 90 | 766.164 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550451 | CIF | C19 H23 Cl N6 O4 | P 1 21/c 1 | 12.6065; 13.0726; 12.6694 90; 106.397; 90 | 2003 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550452 | CIF | C20 H23 Cl N6 O S | P -1 | 12.1482; 13.1848; 13.8251 90.263; 90.218; 108.005 | 2105.9 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550453 | CIF | C19 H23 B Cl F4 N5 O | P 1 21/c 1 | 12.46473; 12.98315; 13.42014 90; 106.765; 90 | 2079.49 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550454 | CIF | C16 H21 N O4 S | P 1 21 1 | 5.72587; 20.83882; 6.92054 90; 98.3547; 90 | 816.998 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550455 | CIF | C24 H38 N2 O8 | P 1 | 5.8213; 7.27088; 15.90214 94.7215; 96.6693; 109.525 | 624.781 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
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