Crystallography Open Database
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Searching journal of publication like 'IUCrJ'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1556796 | CIF | C24 H18 Br2 N2 O4 | P 1 21/c 1 | 11.0467; 28.9658; 10.7956 90; 110.603; 90 | 3233.4 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556797 | CIF | C26 H14 Br2 F8 N4 O2 | P -1 | 5.837; 12.8464; 18.1146 103.537; 96.861; 93.06 | 1306.46 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556798 | CIF | C22 H10 Br2 F8 N2 O2 | P 1 21/c 1 | 13.6342; 5.8333; 13.3118 90; 90.944; 90 | 1058.58 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556799 | CIF | C24 H14 Br2 F8 N2 O2 | C 1 2/c 1 | 25.9125; 4.6925; 20.0909 90; 103.464; 90 | 2375.8 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556800 | CIF | C10 H5 F4 I N2 O2 | P 1 21/n 1 | 11.701; 4.6121; 21.594 90; 103.591; 90 | 1132.7 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556801 | CIF | C12 H5 F4 I N2 O | P 1 21/n 1 | 12.7258; 4.9322; 20.729 90; 106.074; 90 | 1250.2 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556802 | CIF | C11 H5 F4 I N2 O3 | P -1 | 4.2485; 11.6204; 13.8288 110.206; 95.97; 98.531 | 624.68 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556803 | CIF | C13 H5 F4 I N2 O2 | P 1 21/c 1 | 7.4234; 35.8851; 10.0949 90; 101.028; 90 | 2639.5 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556804 | CIF | C13 H9 Br N2 O2 | P -1 | 7.363; 7.48; 12.446 80.617; 84.893; 62.018 | 597.17 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556805 | CIF | C12 H5 Br F4 N2 O | P 1 21/n 1 | 12.2763; 5.0037; 20.666 90; 106.425; 90 | 1217.6 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556806 | CIF | C42 H28 | C m c e | 26.7965; 7.1599; 14.1519 90; 90; 90 | 2715.19 | Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt Quantitative analysis of intermolecular interactions in orthorhombic rubrene. IUCrJ, 2015, 2, 563-574 |
| 1556807 | CIF | C42 H28 | C m c e | 26.8106; 7.1602; 14.2029 90; 90; 90 | 2726.52 | Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt Quantitative analysis of intermolecular interactions in orthorhombic rubrene. IUCrJ, 2015, 2, 563-574 |
| 1556808 | CIF | C12 H14 Cl2 N2 | P -1 | 6.5705; 7.6756; 12.6098 85.165; 76.785; 73.868 | 594.58 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556809 | CIF | C12 H14 Cl2 N2 | P -1 | 6.5705; 7.6756; 12.6098 85.165; 76.785; 73.868 | 594.58 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556810 | CIF | C6 H7 Cl N | P -1 | 6.5742; 7.6702; 12.636 85.26; 76.735; 73.823 | 595.5 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556811 | CIF | C12 H14 Cl2 N2 | P -1 | 6.57; 7.676; 12.61 85.17; 76.79; 73.87 | 594.593 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556812 | CIF | C12 H14 Cl2 N2 | P -1 | 6.57; 7.676; 12.61 85.17; 76.79; 73.87 | 594.593 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556813 | CIF | C20 H14 Cl4 | P 1 21 1 | 13.551; 8.0183; 14.8834 90; 94.021; 90 | 1613.19 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556814 | CIF | C20 H14 Cl4 | P 1 21 1 | 13.551; 8.0183; 14.8834 90; 94.021; 90 | 1613.19 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556815 | CIF | C22 H16 Cl2 | P 1 21 1 | 13.589; 8.0415; 14.943 90; 93.998; 90 | 1628.9 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556816 | CIF | C14 H24 Cl2 N2 O2 | P 1 21/n 1 | 10.085; 9.811; 17.915 90; 101.639; 90 | 1736.1 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556817 | CIF | C14 H24 Cl2 N2 O2 | P 1 21/n 1 | 10.085; 9.811; 17.915 90; 101.639; 90 | 1736.1 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556818 | CIF | C14 H24 Cl2 N2 O2 | P 1 21/n 1 | 10.085; 9.811; 17.915 90; 101.639; 90 | 1736.1 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556819 | CIF | C14 H24 Cl2 N2 O2 | P 1 21/n 1 | 10.085; 9.811; 17.915 90; 101.64; 90 | 1736.13 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556820 | CIF | C14 H24 Cl2 N2 O2 | P 1 21/n 1 | 10.085; 9.811; 17.915 90; 101.64; 90 | 1736.13 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556821 | CIF | C20 H30 Fe | C m c e | 15.0905; 11.4741; 9.9484 90; 90; 90 | 1722.6 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556822 | CIF | C20 H30 Fe | C m c e | 15.0905; 11.4741; 9.9484 90; 90; 90 | 1722.6 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556823 | CIF | C20 H30 Fe | C m c e | 15.119; 11.492; 9.967 90; 90; 90 | 1731.7 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556824 | CIF | C20 H14 | P 21 21 21 | 8.0798; 8.1645; 20.3778 90; 90; 90 | 1344.27 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556825 | CIF | C20 H14 | P 21 21 21 | 8.0798; 8.1645; 20.3778 90; 90; 90 | 1344.27 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556826 | CIF | C20 H14 | P 21 21 21 | 8.1019; 8.1922; 20.442 90; 90; 90 | 1356.8 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556827 | CIF | C20 H14 | P 21 21 21 | 8.08; 8.165; 20.378 90; 90; 90 | 1344.4 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556828 | CIF | C20 H14 | P 21 21 21 | 8.08; 8.165; 20.378 90; 90; 90 | 1344.4 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556829 | CIF | C30 H29 Cl2 Cu2 I2 N O2 S2 | P -1 | 11.7925; 11.9665; 13.4375 93.29; 95.681; 118.683 | 1643.38 | Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ, 2018, 5, 45-53 |
| 1556830 | CIF | C29 H27 Cd2 I4 N O2 S2 | C 1 2/c 1 | 23.3017; 13.4569; 26.9935 90; 102.963; 90 | 8248.6 | Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ, 2018, 5, 45-53 |
| 1556831 | CIF | C58 H54 Cd4 I8 N2 O4 S4 | P -1 | 11.66; 12.147; 12.585 75.142; 87.056; 86.996 | 1719.2 | Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ, 2018, 5, 45-53 |
| 1556832 | CIF | C116 H106 Cd8 I16 N4 O8 S8 | P -1 | 11.3166; 13.4404; 24.586 86.655; 89.396; 78.371 | 3656.5 | Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ, 2018, 5, 45-53 |
| 1556833 | CIF | C29 H27 Cd Cu I3 N O2 S2 | P -1 | 8.9645; 14.4098; 14.8826 65.853; 73.386; 81.546 | 1680.04 | Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ, 2018, 5, 45-53 |
| 1556834 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.442; 19.442; 19.442 90; 90; 90 | 7348.9 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556835 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.4214; 19.4214; 19.4214 90; 90; 90 | 7325.6 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556836 | CIF | C0.58 Na0.02 O4.53 Si2.27 | A 1 2/n 1 | 23.7844; 13.732; 23.784 90; 109.47; 90 | 7324 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556837 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.4199; 19.4199; 19.4199 90; 90; 90 | 7323.9 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556838 | CIF | C0.58 Na0.02 O4.53 Si2.27 | A 1 2/n 1 | 23.834; 13.76; 23.833 90; 109.47; 90 | 7369 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556839 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.3944; 19.3944; 19.3944 90; 90; 90 | 7295.1 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556840 | CIF | C0.58 Na0.02 O4.53 Si2.27 | A 1 2/n 1 | 23.834; 13.76; 23.833 90; 109.47; 90 | 7369 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556841 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.3944; 19.3944; 19.3944 90; 90; 90 | 7295.1 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556842 | CIF | C0.58 Na0.02 O4.53 Si2.27 | A 1 2/n 1 | 23.7054; 13.6861; 23.7051 90; 109.47; 90 | 7251 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556843 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.3944; 19.3944; 19.3944 90; 90; 90 | 7295.1 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556888 | CIF | C18 H14 F4 N2 O4 S | P 1 21/c 1 | 14.8945; 12.1188; 10.2846 90; 105.825; 90 | 1786.05 | Korlyukov, Alexander A.; Malinska, Maura; Vologzhanina, Anna V.; Goizman, Mikhail S.; Trzybinski, Damian; Wozniak, Krzysztof Charge density view on bicalutamide molecular interactions in the monoclinic polymorph and androgen receptor binding pocket IUCrJ, 2020, 7, 71-82 |
| 1556889 | CIF | C54 H42 Cu2 N2 O8 | C 1 2/c 1 | 24.633; 12.093; 15.509 90; 108.48; 90 | 4382 | Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89 |
| 1556890 | CIF | C54 H40 Cu2 F2 N2 O8 | C 1 2/c 1 | 24.9699; 12.1074; 15.4675 90; 108.809; 90 | 4426.4 | Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89 |
| 1556891 | CIF | C54 H40 Cu2 F2 N2 O8 | C 1 2/c 1 | 25.1802; 12.0004; 15.5976 90; 108.802; 90 | 4461.7 | Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89 |
| 1556892 | CIF | C54 H40 Cu2 F2 N2 O8 | P -1 | 10.3725; 11.0398; 12.0294 71.354; 66.229; 65.356 | 1126.6 | Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89 |
| 1556893 | CIF | C5 H5 N | P 21 21 21 | 5.392; 6.806; 11.261 90; 90; 90 | 413.3 | Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon High-pressure polymorphism in pyridine IUCrJ, 2020, 7, 58-70 |
| 1556894 | CIF | C5 H5 N | P 41 21 2 | 5.4053; 5.4053; 13.4853 90; 90; 90 | 394 | Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon High-pressure polymorphism in pyridine IUCrJ, 2020, 7, 58-70 |
| 1557387 | CIF | C28 H20 N2 O6 Zn | P 1 2/n 1 | 14.2399; 7.5126; 14.7479 90; 101.619; 90 | 1545.38 | Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J. Disappeared supramolecular isomer reappears with perylene guest IUCrJ, 2020, 7, 324-330 |
| 1557388 | CIF | C56 H40 N4 O12 Zn2 | P 1 2/c 1 | 20.1826; 18.7307; 17.1854 90; 91.583; 90 | 6494.2 | Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J. Disappeared supramolecular isomer reappears with perylene guest IUCrJ, 2020, 7, 324-330 |
| 1557389 | CIF | C38 H26 N2 O6 Zn | C 1 2/c 1 | 28.18; 14.88; 18.158 90; 124.421; 90 | 6280.8 | Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J. Disappeared supramolecular isomer reappears with perylene guest IUCrJ, 2020, 7, 324-330 |
| 1557481 | CIF Paper | C21 H22 Cl N3 O2 | P -1 | 7.9299; 9.3219; 13.5862 87.768; 76.928; 76.025 | 949.2 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557482 | CIF | C21 H24 Cl N3 O3 | P -1 | 7.7631; 8.025; 16.2297 101.784; 98.374; 90.687 | 978.32 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557483 | CIF | C35 H34 Cl2 N4 O4 | P -1 | 10.8864; 12.2705; 13.7811 106.966; 105.782; 103.324 | 1595.5 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557484 | CIF | C14 H12 Cl N O2 | P -1 | 6.7049; 7.2778; 14.163 77.167; 79.908; 65.487 | 610.42 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557485 | CIF | C17 H19 Cl N2 O3 | P -1 | 10.4803; 11.8423; 13.3309 94.335; 95.883; 102.871 | 1596.16 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557486 | CIF | C22 H25 N3 O2 | P -1 | 7.7575; 9.4727; 13.3076 87.515; 78.596; 74.174 | 922.2 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557487 | CIF | C22 H27 N3 O3 | P -1 | 7.7248; 8.0592; 16.2531 101.711; 98.743; 90.16 | 978.68 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557488 | CIF | C37 H40 N4 O4 | P -1 | 10.7678; 11.9673; 13.786 106.152; 105.842; 103.49 | 1546.9 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557660 | CIF Paper | C13 H24 O4 | P 1 21/n 1 | 5.5195; 9.4058; 26.283 90; 90.84; 90 | 1364.3 | Shi, Peng; Xu, Shijie; Ma, Yiming; Tang, Weiwei; Zhang, Feng; Wang, Jingkang; Gong, Junbo Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-alkanedicarboxylic acids IUCrJ, 2020, 7 |
| 1557661 | CIF | C15 H28 O4 | P 1 21/c 1 | 5.4671; 9.2806; 29.827 90; 94.449; 90 | 1508.8 | Shi, Peng; Xu, Shijie; Ma, Yiming; Tang, Weiwei; Zhang, Feng; Wang, Jingkang; Gong, Junbo Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-alkanedicarboxylic acids IUCrJ, 2020, 7 |
| 1557713 | CIF | D2.15 Mg2.28 O6 Si1.32 | R -3 m :H | 2.9647; 2.9647; 13.8892 90; 90; 120 | 105.72 | Purevjav, Narangoo; Okuchi, Takuo; Hoffmann, Christina Strong hydrogen bonding in a dense hydrous magnesium silicate discovered by neutron Laue diffraction IUCrJ, 2020, 7 |
| 1559218 | CIF | Al27 K24.67 Na2.33 O108 Si27 | P 3 | 27.0597; 27.0597; 8.5587 90; 90; 120 | 5427.3 | Mugnaioli, Enrico; Bonaccorsi, Elena; Lanza, Arianna E.; Elkaim, Erik; Diez-Gómez, Virginia; Sobrados, Isabel; Gemmi, Mauro; Gregorkiewitz, Miguel The structure of kaliophilite KAlSiO~4~, a long-lasting crystallographic problem IUCrJ, 2020, 7 |
| 1559398 | CIF | C21 H28 O5 | P 21 21 21 | 7.7819; 10.0468; 23.6401 90; 90; 90 | 1848.26 | Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution IUCrJ, 2020, 7 |
| 1559399 | CIF | C21 H28.74 O5 | P 21 21 21 | 7.7442; 10.0968; 23.675 90; 90; 90 | 1851.2 | Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution IUCrJ, 2020, 7 |
| 1559400 | CIF | C21 H29.27 O5 | P 21 21 21 | 7.7308; 10.1237; 23.694 90; 90; 90 | 1854.4 | Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution IUCrJ, 2020, 7 |
| 1559401 | CIF | C21 H29.48 O5 | P 21 21 21 | 7.6953; 10.1268; 23.619 90; 90; 90 | 1840.6 | Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution IUCrJ, 2020, 7 |
| 1559402 | CIF | C21 H30 O5 | P 21 21 21 | 10.1439; 12.4255; 30.496 90; 90; 90 | 3843.8 | Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution IUCrJ, 2020, 7 |
| 1559421 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.7759; 14.7759; 29.8577 90; 90; 90 | 6518.7 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559422 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.7908; 14.7908; 29.8489 90; 90; 90 | 6530 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559423 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8076; 14.8076; 29.8449 90; 90; 90 | 6543.9 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559424 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8239; 14.8239; 29.8395 90; 90; 90 | 6557.2 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559425 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8206; 14.8206; 29.8617 90; 90; 90 | 6559.1 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559426 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8394; 14.8394; 29.832 90; 90; 90 | 6569.2 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559427 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8477; 14.8477; 29.8554 90; 90; 90 | 6581.7 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559428 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8584; 14.8584; 29.828 90; 90; 90 | 6585.2 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559429 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8663; 14.8663; 29.841 90; 90; 90 | 6595.1 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559430 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8778; 14.8778; 29.8291 90; 90; 90 | 6602.6 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559431 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.893; 14.893; 29.829 90; 90; 90 | 6616.1 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559432 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8976; 14.8976; 29.8244 90; 90; 90 | 6619.2 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559801 | CIF | Al0.17 Ca0.18 F0.08 Fe5.4 H1.92 Mg1.25 O23.92 Si8 | C 1 2/m 1 | 9.54396; 18.2455; 5.3266 90; 101.883; 90 | 907.67 | Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F. Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction IUCrJ, 2021, 8, 76-86 |
| 1559802 | CIF | Al0.22 Ca0.17 Fe5.3 H2 Mg1.31 O24 Si8 | C 1 2/m 1 | 9.5343; 18.221; 5.3202 90; 101.846; 90 | 904.57 | Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F. Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction IUCrJ, 2021, 8, 76-86 |
| 1559807 | CIF | As3 Fe H16 O17 | P 1 21/n 1 | 15.4357; 20.01; 4.7994 90; 91.728; 90 | 1481.71 | Steciuk, Gwladys; Majzlan, Juraj; Plášil, Jakub Hydrogen disorder in kaatialaite Fe[AsO~2~(OH)~2~]5H~2~O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction IUCrJ, 2021, 8, 116-123 |
| 1559957 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.7488; 7.1526; 29.1812 90; 93.7725; 90 | 3904.8 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559958 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.747; 7.1519; 29.1807 90; 93.7723; 90 | 3903.97 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559959 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.6705; 7.123; 29.1292 90; 93.6645; 90 | 3865.97 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559960 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.5979; 7.0922; 29.0731 90; 93.5819; 90 | 3827.25 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559961 | CIF | C7 H4 N Na O4.875 S | C -1 | 18.5729; 7.0819; 29.0233 89.9808; 93.511; 89.9763 | 3810.31 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1560041 | CIF Paper | C20 H22 N4 O8 | P 1 | 7.7162; 8.9727; 16.9089 86.559; 78.838; 66.314 | 1051.59 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560042 | CIF | C18 H23 N4 O4 | P -1 | 7.658; 9.277; 15.152 79.304; 82.008; 65.214 | 958 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560043 | CIF | C32 H23 N3 O3.99 | P -1 | 9.2447; 14.4694; 19.3202 93.232; 102.634; 97.795 | 2488.6 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560044 | CIF | C12 H13 N3 O4 | C 1 2/c 1 | 8.7482; 14.926; 10.2464 90; 110.165; 90 | 1255.9 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560045 | CIF | C19 H15 N3 O4 | P -1 | 7.7638; 8.5897; 12.723 105.585; 102.978; 95.062 | 786.4 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
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