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 |
| 1560046 | CIF | C26 H21 N5 O4 | P -1 | 7.3217; 11.6513; 13.9987 105.915; 102.665; 91.242 | 1116.2 | 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 |
| 1560047 | CIF | C42 H34 N8 O8 | P -1 | 7.4323; 9.1138; 14.562 106.397; 103.133; 90.486 | 918.7 | 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 |
| 1560048 | CIF | C18 H17 N3 O4 | P 1 21/c 1 | 17.802; 7.5355; 12.5671 90; 91.187; 90 | 1685.5 | 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 |
| 1560049 | CIF | C18 H15 N3 O4 | P 1 21/c 1 | 17.9122; 7.4259; 12.1765 90; 92.337; 90 | 1618.3 | 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 |
| 1560050 | CIF | C16 H13 N5 O4 | P 1 21/c 1 | 18.213; 7.2967; 11.94 90; 92.967; 90 | 1584.6 | 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 |
| 1560051 | CIF | C20 H25 N5 O4 | P -1 | 7.7563; 8.1082; 16.24 97.387; 95.164; 95.007 | 1003.7 | 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 |
| 1560052 | CIF | C13 H15 N3 O4 | P 1 21/n 1 | 10.1301; 12.6967; 10.3338 90; 99.17; 90 | 1312.1 | 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 |
| 1560053 | CIF | C29 H26 N3 O4 | P 1 21 1 | 7.7925; 12.885; 12.398 90; 104.054; 90 | 1207.6 | 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 |
| 1560054 | CIF | C58 H50 N6 O8 | P -1 | 13.337; 13.504; 16.069 75.831; 66.422; 67.934 | 2442.9 | 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 |
| 1560055 | CIF | C40 H46 N8 O8 | P -1 | 7.5319; 8.6425; 15.3925 78.729; 75.782; 89.099 | 951.99 | 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 |
| 1560056 | CIF | C38 H42 N8 O8 | P -1 | 7.4104; 8.8964; 15.7722 95.531; 101.446; 111.676 | 930.47 | 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 |
| 1560057 | CIF | C22 H23 N3 O4 S2 | P -1 | 7.6512; 8.9495; 18.121 87.883; 78.725; 65.728 | 1108 | 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 |
| 1560058 | CIF | C62 H50 N6 O8 | P -1 | 7.684; 9.266; 18.043 96.343; 94.419; 107.054 | 1212.5 | 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 |
| 1560059 | CIF | C50 H52 N8 O8 | P -1 | 7.7634; 8.9486; 16.368 83.021; 82.842; 88.111 | 1119.7 | 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 |
| 1560060 | CIF | C42 H42 N8 O8 | P -1 | 7.5543; 8.914; 14.713 85.797; 88.497; 89.487 | 987.7 | 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 |
| 1560061 | CIF | C42 H40 N8 O8 | P -1 | 7.504; 9.428; 14.102 94.052; 91.192; 90.498 | 994.9 | 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 |
| 1560062 | CIF | C40 H40 N6 O8 S2 | P -1 | 7.489; 9.107; 14.187 97.784; 93.611; 90.872 | 956.5 | 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 |
| 1560063 | CIF | C40 H38 N6 O8 S2 | P -1 | 7.514; 9.272; 13.852 83.832; 89.887; 88.173 | 959 | 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 |
| 1560064 | CIF | C41 H41 N7 O8 S | P -1 | 7.4741; 9.2215; 14.295 96.245; 92.609; 92.314 | 977.4 | 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 |
| 1560065 | CIF | C41 H39 N7 O8 S | P -1 | 7.4078; 9.3192; 13.815 94.239; 91.445; 90.299 | 950.8 | 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 |
| 1560066 | CIF | C14 H16 Cl2 N2 O2 | P 1 21/n 1 | 9.302; 9.394; 17.66 90; 104.075; 90 | 1496.9 | 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 |
| 1560067 | CIF | C72 H48 Cl4 N10 O4 | P -1 | 10.807; 12.145; 12.466 108.22; 104.061; 101.072 | 1442.4 | 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 |
| 1560068 | CIF | C12 H12 Cl2 N2 O2 | P 1 21/c 1 | 8.188; 15.73; 11.247 90; 110.491; 90 | 1357 | 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 |
| 1560069 | CIF | C44 H42 Cl4 N4 O4 | C 1 2/c 1 | 42.727; 8.899; 22.92 90; 114.062; 90 | 7958 | 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 |
| 1560070 | CIF | C84 H54 Cl4 N4 O4 | C 1 2/c 1 | 33.873; 10.374; 18.332 90; 91.186; 90 | 6440 | 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 |
| 1560071 | CIF | C28 H22 Cl2 N2 O2 | P -1 | 8.8453; 10.4891; 12.694 94.129; 94.866; 98.239 | 1157.1 | 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 |
| 1560072 | CIF | C80 H66 Cl8 N8 O8 | P 1 21 1 | 17.219; 22.693; 18.331 90; 91.312; 90 | 7161 | 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 |
| 1560131 | CIF | C23 H20 N4 O10 | P 1 21/n 1 | 19.932; 4.461; 24.275 90; 97.73; 90 | 2138.8 | Xia, Yanming; Wei, Yuanfeng; Chen, Hui; Qian, Shuai; Zhang, Jianjun; Gao, Yuan Competitive cocrystallization and its application in the separation of flavonoids IUCrJ, 2021, 8, 195-207 |
| 1560861 | CIF | C26 H32 N2 Ni O2 | P -1 | 6.4256; 7.7129; 11.9856 98.709; 101.8; 104.3 | 550.52 | Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A. Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions IUCrJ, 2021, 8 |
| 1560862 | CIF | C26 H32 Cu N2 O2 | P -1 | 6.4641; 7.7224; 11.9925 97.647; 101.861; 105.261 | 553.99 | Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A. Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions IUCrJ, 2021, 8 |
| 1560863 | CIF | C34 H36 N2 Ni O2 | P 1 21/n 1 | 6.0847; 10.5704; 20.8597 90; 97.882; 90 | 1328.97 | Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A. Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions IUCrJ, 2021, 8 |
| 1560864 | CIF | C34 H36 Cu N2 O2 | P 1 21/n 1 | 11.0325; 5.6889; 21.554 90; 99.41; 90 | 1334.59 | Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A. Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions IUCrJ, 2021, 8 |
| 1563356 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.7493; 10.072; 20.462 90; 94.781; 90 | 1386.1 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563357 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.7637; 10.0716; 20.4697 90; 94.79; 90 | 1389.55 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563358 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.7832; 10.0779; 20.4867 90; 94.754; 90 | 1395.66 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563359 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.7983; 10.0786; 20.4949 90; 94.744; 90 | 1399.44 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563360 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.8159; 10.0882; 20.5143 90; 94.74; 90 | 1405.74 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563361 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.8491; 10.096; 20.5281 90; 94.735; 90 | 1414.64 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563362 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.855; 10.0998; 20.5333 90; 94.69; 90 | 1416.84 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563363 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.8717; 10.105; 20.5512 90; 94.688; 90 | 1422.27 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563364 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.8752; 10.1004; 20.5391 90; 94.709; 90 | 1421.47 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563365 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.9337; 10.1217; 20.599 90; 94.713; 90 | 1440.8 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563366 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.9626; 10.1312; 20.609 90; 94.7; 90 | 1448.86 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563367 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.8312; 10.0839; 20.5232 90; 94.635; 90 | 1409.12 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563368 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.7445; 10.0486; 20.4539 90; 94.589; 90 | 1381.77 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563369 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.6277; 10.005; 20.3418 90; 94.609; 90 | 1344.51 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563370 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.5155; 9.9444; 20.2293 90; 94.662; 90 | 1306.38 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563371 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.4387; 9.9135; 20.1349 90; 94.729; 90 | 1280.84 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563372 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.259; 9.8519; 19.8571 90; 95.624; 90 | 1218.56 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1563373 | CIF | C15 H7 Cl2 N4 O2 | P 1 21/n 1 | 6.2058; 9.8299; 19.7739 90; 95.781; 90 | 1200.12 | Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ, 2021, 8 |
| 1564497 | CIF | C10 H24 Cl2 Co N4 S2 | P 1 21/n 1 | 9.9071; 12.7019; 14.1556 90; 92.824; 90 | 1779.16 | Klahn, Emil Andreasen; Damgaard-Møller, Emil; Krause, Lennard; Kibalin, Iurii; Gukasov, Arsen; Tripathi, Shalini; Swain, Abinash; Shanmugam, Maheswaran; Overgaard, Jacob Quantifying magnetic anisotropy using X-ray and neutron diffraction IUCrJ, 2021, 8 |
| 1564498 | CIF | C10 H24 Br2 Co N4 S2 | P 1 21/n 1 | 9.798; 12.961; 14.636 90; 92.363; 90 | 1857.1 | Klahn, Emil Andreasen; Damgaard-Møller, Emil; Krause, Lennard; Kibalin, Iurii; Gukasov, Arsen; Tripathi, Shalini; Swain, Abinash; Shanmugam, Maheswaran; Overgaard, Jacob Quantifying magnetic anisotropy using X-ray and neutron diffraction IUCrJ, 2021, 8 |
| 1564942 | CIF Paper | C20 H14 O2 | P n m a | 7.21024; 16.4876; 11.2792 90; 90; 90 | 1340.87 | Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ, 2021, 8 |
| 1564943 | CIF | C20 H14 O2 | P n m a | 7.2462; 16.536; 11.255 90; 90; 90 | 1348.6 | Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ, 2021, 8 |
| 1564944 | CIF | C20 H14 O2 | P n m a | 7.15; 16.17; 11.288 90; 90; 90 | 1305 | Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ, 2021, 8 |
| 1564945 | CIF | C20 H14 O2 | P n m a | 7.0642; 16.22; 11.165 90; 90; 90 | 1279.3 | Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ, 2021, 8 |
| 1564946 | CIF | C20 H14 O2 | P n 21 a | 7.03; 16.147; 11.1214 90; 90; 90 | 1262.4 | Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ, 2021, 8 |
| 1564947 | CIF | C20 H14 O2 | P n 21 a | 7.0202; 16.0775; 11.161 90; 90; 90 | 1259.7 | Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ, 2021, 8 |
| 1564948 | CIF | C20 H14 O2 | P n 21 a | 6.9714; 16.139; 11.072 90; 90; 90 | 1245.7 | Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ, 2021, 8 |
| 1564949 | CIF | C20 H14 O2 | P 1 1 21/a | 6.8697; 15.96; 11.1099 90; 90; 95.074 | 1213.3 | Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ, 2021, 8 |
| 1565826 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.91895; 9.91895; 9.91895 90; 90; 90 | 975.882 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565827 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.91895; 9.91895; 9.91895 90; 90; 90 | 975.882 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565828 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.91977; 9.91977; 9.91977 90; 90; 90 | 976.124 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565829 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.91977; 9.91977; 9.91977 90; 90; 90 | 976.124 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565830 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.9045; 9.9045; 9.9045 90; 90; 90 | 971.623 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565831 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.9045; 9.9045; 9.9045 90; 90; 90 | 971.623 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565846 | CIF Paper | C54 H58 Cl3 O11 Rb | P -1 | 13.44; 14.3933; 14.8036 84.073; 76.728; 62.777 | 2478.47 | Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I) IUCrJ, 2022, 9, 43-48 |
| 1565847 | CIF | C55 H53 Cl9 Cs O10 | P 1 21/n 1 | 13.1773; 20.344; 22.581 90; 106.172; 90 | 5814 | Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I) IUCrJ, 2022, 9, 43-48 |
| 1565848 | CIF | C53 H55 Cl3 Cs2 O11 | P 1 21/c 1 | 13.166; 31.338; 14.278 90; 117.28; 90 | 5236 | Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I) IUCrJ, 2022, 9, 43-48 |
| 1565849 | CIF Paper | Cu H10 O9 S | P -1 | 5.9523; 6.1001; 10.647 77.308; 82.353; 72.64 | 359.02 | Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J. Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate IUCrJ, 2022, 9, 73-85 |
| 1565850 | CIF | Cu H10 O9 S | P -1 | 5.9523; 6.1001; 10.647 77.308; 82.353; 72.64 | 359.02 | Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J. Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate IUCrJ, 2022, 9, 73-85 |
| 1565851 | CIF | Cu H10 O9 S | P -1 | 5.9523; 6.1001; 10.647 77.308; 82.353; 72.64 | 359.016 | Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J. Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate IUCrJ, 2022, 9, 73-85 |
| 1565852 | CIF | Cu H10 O9 S | P -1 | 5.9523; 6.1001; 10.647 77.308; 82.353; 72.64 | 359.016 | Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J. Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate IUCrJ, 2022, 9, 73-85 |
| 1565853 | CIF Paper | C73 H100 O6 | P 1 21/c 1 | 16.252; 23.5373; 17.2102 90; 101.773; 90 | 6444.9 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565854 | CIF Paper | C66 H84 O6 | P -1 | 9.59; 18.199; 18.547 114.31; 91.36; 91.7 | 2946 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565855 | CIF Paper | C70 H92 Cl8 O6 | P -1 | 13.8727; 16.0717; 17.6177 77.127; 66.915; 76.404 | 3474.5 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565856 | CIF Paper | C68 H88 Cl4 O6 | P -1 | 12.261; 17.2425; 17.417 118.625; 92.647; 98.062 | 3172.8 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565857 | CIF Paper | C84 H102 O6 | P -1 | 13.5391; 14.7702; 19.045 80.68; 72.393; 78.191 | 3532.8 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565858 | CIF Paper | C69 H90 Cl6 O6 | P 1 21/c 1 | 17.8792; 19.6559; 18.9669 90; 96.732; 90 | 6619.6 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565859 | CIF Paper | C72 H96 O6 | P 1 21/n 1 | 17.2109; 18.2986; 19.6172 90; 94.521; 90 | 6158.9 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565860 | CIF Paper | C73 H92 O6 | P 1 21/n 1 | 17.1817; 18.7393; 19.4157 90; 95.843; 90 | 6218.9 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565861 | CIF Paper | C69 H90 O8 | P 1 21/n 1 | 17.0366; 18.4996; 19.762 90; 94.288; 90 | 6210.96 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565862 | CIF Paper | C70 H92 O7 | P 1 21/n 1 | 17.1261; 17.8832; 19.8489 90; 93.914; 90 | 6064.9 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565863 | CIF Paper | C73 H92 O7 | P -1 | 14.1349; 16.1763; 17.0355 83.979; 72.392; 73.292 | 3555.3 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565864 | CIF Paper | C4 H2 Cl N5 | P 21 21 21 | 7.0651; 8.7859; 10.0906 90; 90; 90 | 626.36 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565865 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0604; 8.78; 10.0712 90; 90; 90 | 624.32 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565866 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0533; 8.7742; 10.0552 90; 90; 90 | 622.29 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565867 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0476; 8.7682; 10.0363 90; 90; 90 | 620.19 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565868 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0422; 8.7617; 10.0158 90; 90; 90 | 617.99 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565869 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0473; 8.7636; 10.0299 90; 90; 90 | 619.44 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565870 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0342; 8.7569; 10.0049 90; 90; 90 | 616.28 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565871 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0336; 8.7575; 10.0065 90; 90; 90 | 616.37 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565872 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0291; 8.7539; 9.9932 90; 90; 90 | 614.902 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565873 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0245; 8.7517; 9.9817 90; 90; 90 | 613.638 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565874 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0753; 8.7825; 10.099 90; 90; 90 | 627.5 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565875 | CIF | C4 H2 Cl N5 | P 21 21 21 | 6.934; 8.7568; 10.029 90; 90; 90 | 609 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565876 | CIF | C4 H2 Cl N5 | P n m a | 10.697; 6.2545; 8.8012 90; 90; 90 | 588.8 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565877 | CIF | C4 H2 Cl N5 | P n m a | 10.654; 6.1954; 8.7823 90; 90; 90 | 579.68 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565878 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0542; 8.7774; 10.1041 90; 90; 90 | 625.62 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565879 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0733; 8.7965; 10.042 90; 90; 90 | 624.8 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565880 | CIF | C4 H2 Cl N5 | P 21 21 21 | 6.9987; 8.774; 10.0863 90; 90; 90 | 619.37 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565881 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.005; 8.7554; 10.086 90; 90; 90 | 618.6 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565882 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0156; 8.7539; 10.0529 90; 90; 90 | 617.39 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565883 | CIF | C4 H2 Cl N5 | P 21 21 21 | 6.9235; 8.7578; 10.0265 90; 90; 90 | 607.95 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565884 | CIF | C4 H2 Cl N5 | P n m a | 10.668; 6.2042; 8.78 90; 90; 90 | 581.1 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565885 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.878; 13.2446; 5.7134 90; 101.14; 90 | 584.9 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565886 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.885; 13.2116; 5.6949 90; 101.2; 90 | 582 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565887 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.864; 13.1668; 5.6843 90; 101.159; 90 | 577.4 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565888 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.824; 13.1476; 5.6603 90; 101.05; 90 | 571.5 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565889 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.824; 13.0789; 5.629 90; 100.793; 90 | 565.8 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565890 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.836; 12.9703; 5.5885 90; 100.542; 90 | 558.4 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565891 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.808; 12.9522; 5.5722 90; 100.54; 90 | 554 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565892 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.756; 12.7163; 5.468 90; 100.006; 90 | 531.1 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565934 | CIF | H2 Mg O5 S | C 1 2/c 1 | 6.8611; 7.6716; 7.6014 90; 117.787; 90 | 353.97 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565935 | CIF | H2 Mg O5 S | C 1 2/c 1 | 6.856; 7.6675; 7.6008 90; 117.821; 90 | 353.38 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565936 | CIF | Fe0 H2 Mg O5 S | C 1 2/c 1 | 6.8648; 7.6684; 7.6055 90; 117.792; 90 | 354.18 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565937 | CIF | Fe0 H2 Mg O5 S | C 1 2/c 1 | 6.8717; 7.6629; 7.6098 90; 117.833; 90 | 354.35 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565938 | CIF | Fe0 H2 Mg O5 S | C 1 2/c 1 | 6.8815; 7.6534; 7.6172 90; 117.884; 90 | 354.6 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565939 | CIF | Fe0 H2 Mg O5 S | C 1 2/c 1 | 6.8937; 7.6466; 7.6275 90; 117.943; 90 | 355.2 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565940 | CIF | Fe0 H2 Mg O5 S | C 1 2/c 1 | 6.907; 7.6356; 7.6373 90; 118.021; 90 | 355.57 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565941 | CIF | Fe0 H2 Mg O5 S | C 1 2/c 1 | 6.9227; 7.6212; 7.6488 90; 118.112; 90 | 355.94 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565942 | CIF | Fe H2 O5 S | C 1 2/c 1 | 7.0304; 7.5789; 7.7374 90; 118.314; 90 | 362.95 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565943 | CIF | Fe H2 O5 S | C 1 2/c 1 | 7.032; 7.5783; 7.7396 90; 118.328; 90 | 363.06 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565944 | CIF | Fe H2 O5 S | C 1 2/c 1 | 7.0337; 7.5789; 7.7406 90; 118.325; 90 | 363.23 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565945 | CIF | Fe H2 Mg0 O5 S | C 1 2/c 1 | 7.0404; 7.5756; 7.745 90; 118.368; 90 | 363.48 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565946 | CIF | Fe H2 Mg0 O5 S | C 1 2/c 1 | 7.0482; 7.5706; 7.7498 90; 118.404; 90 | 363.74 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565947 | CIF | Fe H2 Mg0 O5 S | C 1 2/c 1 | 7.058; 7.5663; 7.7576 90; 118.454; 90 | 364.23 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565948 | CIF | Fe H2 Mg0 O5 S | C 1 2/c 1 | 7.0696; 7.562; 7.7669 90; 118.515; 90 | 364.85 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565949 | CIF | Fe H2 Mg0 O5 S | C 1 2/c 1 | 7.0802; 7.5565; 7.7755 90; 118.579; 90 | 365.31 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565950 | CIF | Fe H2 Mg0 O5 S | C 1 2/c 1 | 7.0923; 7.5523; 7.7848 90; 118.648; 90 | 365.93 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565951 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.9143; 7.629; 7.5815 90; 118.191; 90 | 352.48 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565952 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.9142; 7.6267; 7.581 90; 118.179; 90 | 352.38 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565953 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.9295; 7.6205; 7.5982 90; 118.381; 90 | 353.01 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565954 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.9354; 7.6179; 7.6043 90; 118.397; 90 | 353.42 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565955 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.9432; 7.6126; 7.6107 90; 118.441; 90 | 353.72 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565956 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.9526; 7.6051; 7.6184 90; 118.497; 90 | 354.02 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565957 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.9641; 7.599; 7.6275 90; 118.553; 90 | 354.56 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565958 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.9765; 7.5904; 7.6373 90; 118.616; 90 | 355.03 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565959 | CIF | H2 Ni O5 S | C 1 2/c 1 | 6.7979; 7.6403; 7.4489 90; 117.51; 90 | 343.14 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565960 | CIF | H2 Ni O5 S | C 1 2/c 1 | 6.7999; 7.6222; 7.4405 90; 117.579; 90 | 341.82 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565961 | CIF | H2 Ni O5 S | C 1 2/c 1 | 6.8026; 7.6191; 7.445 90; 117.611; 90 | 341.93 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565962 | CIF | H2 Ni O5 S | C 1 2/c 1 | 6.8037; 7.6178; 7.4371 90; 117.58; 90 | 341.66 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565963 | CIF | H2 Ni O5 S | C 1 2/c 1 | 6.8069; 7.6152; 7.4398 90; 117.597; 90 | 341.77 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565964 | CIF | H2 Ni O5 S | C 1 2/c 1 | 6.8115; 7.6122; 7.4444 90; 117.629; 90 | 341.98 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565965 | CIF | H2 Ni O5 S | C 1 2/c 1 | 6.8176; 7.6098; 7.4513 90; 117.676; 90 | 342.35 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565966 | CIF | H2 Ni O5 S | C 1 2/c 1 | 6.8252; 7.607; 7.4587 90; 117.724; 90 | 342.79 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565967 | CIF | H2 Ni O5 S | C 1 2/c 1 | 6.8332; 7.6026; 7.4669 90; 117.776; 90 | 343.21 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1566428 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566429 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566430 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566431 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566432 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566433 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566434 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566435 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566436 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566437 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566438 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566439 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566440 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566441 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566442 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566443 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566444 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566445 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566446 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566447 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566448 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566449 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566450 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566451 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566452 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566453 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566454 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566456 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566457 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566458 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566459 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566460 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566461 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566462 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566463 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566464 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566465 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566466 | CIF | C13 H11 N O5 | P 21 21 21 | 5.3386; 9.9878; 22.3493 90; 90; 90 | 1191.68 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566467 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566468 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566469 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566470 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566471 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566472 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566473 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566474 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566475 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566476 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566477 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566478 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566479 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566480 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566481 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566482 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566483 | CIF | C8 H18 Mg O14 | P 1 21/c 1 | 10.195; 11.759; 6.6206 90; 103.67; 90 | 771.2 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566484 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566485 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566486 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566487 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566488 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566489 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566490 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566491 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566492 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566493 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566494 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566495 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566496 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566497 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566498 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566499 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566500 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566501 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566502 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566503 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566504 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566505 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566506 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566507 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566508 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566509 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566510 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566511 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566512 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566513 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566514 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566515 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566516 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566517 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566518 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566519 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566520 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
| 1566581 | CIF Paper | C68.39 H67.65 Cl6 N12 O4 Zn3 | C 1 2/c 1 | 33.3132; 14.4948; 31.7714 90; 102.245; 90 | 14992.4 | Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges IUCrJ, 2022, 9 |
| 1566582 | CIF | C68.62 H68.92 Cl6 N12 O4 Zn3 | C 1 2/c 1 | 33.306; 14.488; 31.8026 90; 102.247; 90 | 14996.7 | Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges IUCrJ, 2022, 9 |
| 1566583 | CIF | C54.5 H43 I6 N12 O4 Zn3 | C 1 2/c 1 | 34.4866; 14.9746; 31.0009 90; 101.933; 90 | 15663.6 | Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges IUCrJ, 2022, 9 |
| 1566584 | CIF | C55 H42 I6 N12 O4 Zn3 | C 1 2/c 1 | 34.4862; 15.0052; 31.125 90; 101.958; 90 | 15756.8 | Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges IUCrJ, 2022, 9 |
| 1566585 | CIF | C63 H78 I6 N12 Zn3 | C 1 2/c 1 | 34.5713; 15.1587; 29.5198 90; 100.649; 90 | 15203.6 | Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges IUCrJ, 2022, 9 |
| 1566586 | CIF | C64.69 H81.39 I6 N12 Zn3 | C 1 2/c 1 | 34.595; 15.1725; 29.535 90; 100.647; 90 | 15235.8 | Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges IUCrJ, 2022, 9 |
| 1566971 | CIF | C20 H10 F2 N2 O2 | P 1 21/c 1 | 13.6961; 3.76836; 28.7891 90; 105.163; 90 | 1434.1 | Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U. Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D IUCrJ, 2022, 9 |
| 1566972 | CIF | C20 H10 F2 N2 O2 | P 1 21/c 1 | 14.2172; 3.76778; 13.7038 90; 102.504; 90 | 716.66 | Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U. Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D IUCrJ, 2022, 9 |
| 1566973 | CIF | C20 H10 F2 N2 O2 | P -1 | 3.8854; 7.0333; 14.1014 102.713; 86.084; 105.939 | 361.44 | Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U. Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D IUCrJ, 2022, 9 |
| 1566974 | CIF | C20 H10 F2 N2 O2 | P 1 21/c 1 | 14.3352; 3.77265; 27.374 90; 103.686; 90 | 1438.4 | Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U. Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D IUCrJ, 2022, 9 |
| 1566975 | CIF | C20 H10 F2 N2 O2 | P 1 21/c 1 | 14.166; 3.758; 13.762 90; 103.09; 90 | 713.6 | Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U. Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D IUCrJ, 2022, 9 |
| 1567020 | CIF | C18 H11 Br1.5 N5 | P -1 | 7.2378; 7.7475; 17.8746 83.578; 83.241; 67.104 | 914.53 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567021 | CIF | C31 H10 N9 | P 1 21/c 1 | 13.2712; 12.5807; 7.7388 90; 90.466; 90 | 1292.03 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567022 | CIF | C31 H10 N9 | P 1 21/c 1 | 13.3766; 12.8023; 7.7861 90; 90.396; 90 | 1333.35 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567023 | CIF | C30 H15 I N9 | P 1 | 7.168; 7.6291; 13.6797 78.422; 83.441; 69.68 | 686.44 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567024 | CIF | C31 H16 Br2 N9 | P -1 | 8.0361; 13.0398; 14.2071 92.624; 98.576; 104.767 | 1418 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567025 | CIF | C31 H17 N9 | P 1 21/c 1 | 13.0864; 25.3377; 7.8403 90; 92.651; 90 | 2596.9 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567026 | CIF | C48 H26 N14 | P -1 | 7.8212; 9.7542; 13.2653 78.103; 75.829; 82.246 | 956.32 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567027 | CIF | C36 H22 Br2 I N10 | P -1 | 7.5693; 13.03; 18.5239 105.159; 90.971; 98.382 | 1741.66 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567028 | CIF | C30 H14 Br2 N9 | P -1 | 6.6911; 7.8201; 27.6491 97.673; 90.168; 108.973 | 1354.23 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567029 | CIF | C30 H16 N9 | P -1 | 7.7274; 13.1422; 13.3145 99.902; 106.251; 97.225 | 1256.99 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567030 | CIF | C29 H8 N9 | P -1 | 7.2867; 7.7545; 13.1305 92.616; 103.414; 113.979 | 651.19 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567031 | CIF | C36 H16 N10 | P -1 | 7.1249; 7.6572; 14.4249 89.017; 83.589; 68.34 | 726.6 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567032 | CIF | C36 H16 N10 | P -1 | 7.2179; 7.6887; 14.5445 89.176; 82.57; 69.284 | 748.2 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567033 | CIF | C15 H9 N5 | P -1 | 7.0634; 7.8154; 13.468 73.628; 89.55; 67.258 | 653.56 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567034 | CIF | C15 H9 N5 | P -1 | 7.1924; 7.8489; 13.617 106.174; 90.739; 112.525 | 675.74 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567035 | CIF | C37 H20 N9 O | P -1 | 9.1474; 11.3666; 15.9321 106.234; 91.277; 99.804 | 1562.98 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567036 | CIF | C16 H8 N5 | P -1 | 7.5381; 8.013; 13.3368 103.618; 90.811; 115.727 | 699.07 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567037 | CIF | C30 H15 I N9 | P 1 | 7.0735; 7.8171; 13.8419 74.353; 88.928; 67.934 | 680.1 | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals IUCrJ, 2022, 9 |
| 1567090 | CIF | C12 H6 Ga O5 | P 42/n m c :2 | 21.57; 21.57; 6.7 90; 90; 90 | 3117.3 | Samperisi, Laura; Zou, Xiaodong; Huang, Zhehao How to get maximum structure information from anisotropic displacement parameters obtained by three-dimensional electron diffraction: an experimental study on metal–organic frameworks IUCrJ, 2022, 9 |
| 1567116 | CIF Paper | C25.5 H26 N2 O9 S | P 41 21 2 | 12.9189; 12.9189; 29.4056 90; 90; 90 | 4907.74 | Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9 |
| 1567117 | CIF Paper | C51 H53 N4 O18 S2 | P 41 21 2 | 12.917; 12.917; 29.3859 90; 90; 90 | 4903 | Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9 |
| 1567118 | CIF Paper | C25.5 H25.5 N2 O8.5 S | P 41 21 2 | 12.9076; 12.9076; 29.467 90; 90; 90 | 4909.38 | Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9 |
| 1567119 | CIF Paper | C25.5 H28 N2 O7.5 S | P 41 21 2 | 12.8885; 12.8885; 29.5227 90; 90; 90 | 4904.12 | Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9 |
| 1567120 | CIF Paper | C25 H26.5 Br0.5 N2 O7 S | P 41 21 2 | 12.8625; 12.8625; 29.5499 90; 90; 90 | 4888.85 | Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9 |
| 1567121 | CIF Paper | C33.33 H35.33 Cl0.67 N2.67 O9.33 S1.33 | P 41 21 2 | 12.8788; 12.8788; 29.3261 90; 90; 90 | 4864.13 | Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9 |
| 1567122 | CIF Paper | C50 H48 F6 N4 O14 S2 | P 41 21 2 | 12.8425; 12.8425; 29.4534 90; 90; 90 | 4857.74 | Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9 |
| 1567123 | CIF Paper | C50 H53 I N4 O14 S2 | P 41 21 2 | 12.9104; 12.9104; 29.4495 90; 90; 90 | 4908.6 | Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9 |
| 1567124 | CIF Paper | C53 H60 N4 O14 S2 | P 41 21 2 | 13.2792; 13.2792; 28.2737 90; 90; 90 | 4985.7 | Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9 |
| 1567125 | CIF Paper | C26 H29 N2 O7 S | P 41 21 2 | 12.9696; 12.9696; 29.2499 90; 90; 90 | 4920.14 | Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9 |
| 1567126 | CIF Paper | C50 H52 N6 O15 S2 | P 41 21 2 | 12.8876; 12.8876; 29.4547 90; 90; 90 | 4892.14 | Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9 |
| 1567127 | CIF Paper | C50 H53 N5 O16 S2 | P 41 21 2 | 12.9268; 12.9268; 29.3204 90; 90; 90 | 4899.5 | Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9 |
| 1567128 | CIF Paper | C26 H30.5 N2 O7 S | P 41 21 2 | 13.185; 13.185; 28.593 90; 90; 90 | 4970.73 | Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9 |
| 1567129 | CIF Paper | C51 H53 N4 O17 S2 | P 41 21 2 | 12.9133; 12.9133; 29.3418 90; 90; 90 | 4892.84 | Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9 |
| 1567130 | CIF Paper | C51 H54 F3 N4 O14 S2 | P 41 21 2 | 12.9492; 12.9492; 29.6806 90; 90; 90 | 4976.9 | Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms IUCrJ, 2022, 9 |
| 1567346 | CIF | H2 O | P 42/n m c :2 | 6.1732; 6.1732; 5.6881 90; 90; 90 | 216.76 | Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9 |
| 1567347 | CIF | H2 O | P 42/n m c :2 | 6.1732; 6.1732; 5.6881 90; 90; 90 | 216.76 | Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9 |
| 1567348 | CIF | H2 O | P 42/n m c :2 | 6.1732; 6.1732; 5.6881 90; 90; 90 | 216.76 | Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9 |
| 1567349 | CIF | H2 O | P 42/n m c :2 | 6.1711; 6.1711; 5.6747 90; 90; 90 | 216.11 | Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9 |
| 1567350 | CIF | H2 O | P 42/n m c :2 | 6.1711; 6.1711; 5.6747 90; 90; 90 | 216.11 | Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9 |
| 1567351 | CIF | H2 O | P 42/n m c :2 | 6.1918; 6.1918; 5.7067 90; 90; 90 | 218.79 | Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9 |
| 1567352 | CIF | H2 O | P 42/n m c :2 | 6.1918; 6.1918; 5.7067 90; 90; 90 | 218.79 | Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9 |
| 1567353 | CIF | H2 O | P 42/n m c :2 | 6.1737; 6.1737; 5.6843 90; 90; 90 | 216.65 | Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9 |
| 1567354 | CIF | H2 O | P 42/n m c :2 | 6.1737; 6.1737; 5.6843 90; 90; 90 | 216.65 | Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9 |
| 1567355 | CIF | H2 O | P 42/n m c :2 | 6.1665; 6.1665; 5.6756 90; 90; 90 | 215.82 | Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9 |
| 1567356 | CIF | H2 O | P 42/n m c :2 | 6.1665; 6.1665; 5.6756 90; 90; 90 | 215.82 | Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement IUCrJ, 2022, 9 |
| 1567357 | CIF Paper | C6 Mo O6 | P n m a | 11.74147; 11.22116; 6.35094 90; 90; 90 | 836.755 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567358 | CIF Paper | C6 Mo O6 | P n m a | 11.74147; 11.22116; 6.35094 90; 90; 90 | 836.755 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567359 | CIF Paper | C6 Mo O6 | P n m a | 11.74147; 11.22116; 6.35094 90; 90; 90 | 836.755 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567360 | CIF Paper | C6 Mo O6 | P n m a | 11.78656; 11.2619; 6.3733 90; 90; 90 | 845.986 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567361 | CIF Paper | C6 Mo O6 | P n m a | 11.78656; 11.2619; 6.3733 90; 90; 90 | 845.986 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567362 | CIF Paper | C6 Mo O6 | P n m a | 11.78656; 11.2619; 6.3733 90; 90; 90 | 845.986 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567363 | CIF Paper | C6 Mo O6 | P n m a | 11.7976; 11.2734; 6.3799 90; 90; 90 | 848.52 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567364 | CIF Paper | C6 Mo O6 | P n m a | 11.7976; 11.2734; 6.3799 90; 90; 90 | 848.52 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567365 | CIF Paper | C6 Mo O6 | P n m a | 11.7976; 11.2734; 6.3799 90; 90; 90 | 848.52 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567366 | CIF Paper | C6 Mo O6 | P n m a | 11.80112; 11.27663; 6.38185 90; 90; 90 | 849.277 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567367 | CIF Paper | C6 Mo O6 | P n m a | 11.80112; 11.27663; 6.38185 90; 90; 90 | 849.277 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567368 | CIF Paper | C6 Mo O6 | P n m a | 11.80112; 11.27663; 6.38185 90; 90; 90 | 849.277 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567369 | CIF Paper | C6 Mo O6 | P n m a | 11.80973; 11.28599; 6.38709 90; 90; 90 | 851.3 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567370 | CIF Paper | C6 Mo O6 | P n m a | 11.80973; 11.28599; 6.38709 90; 90; 90 | 851.3 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567371 | CIF Paper | C6 Mo O6 | P n m a | 11.80973; 11.28599; 6.38709 90; 90; 90 | 851.3 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567372 | CIF Paper | C6 Mo O6 | P n m a | 11.82125; 11.2974; 6.39402 90; 90; 90 | 853.917 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567373 | CIF Paper | C6 Mo O6 | P n m a | 11.82125; 11.2974; 6.39402 90; 90; 90 | 853.917 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567374 | CIF Paper | C6 Mo O6 | P n m a | 11.82125; 11.2974; 6.39402 90; 90; 90 | 853.917 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567375 | CIF Paper | C6 Mo O6 | P n m a | 11.8622; 11.33684; 6.41647 90; 90; 90 | 862.886 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567376 | CIF Paper | C6 Mo O6 | P n m a | 11.8622; 11.33684; 6.41647 90; 90; 90 | 862.886 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1567377 | CIF Paper | C6 Mo O6 | P n m a | 11.8622; 11.33684; 6.41647 90; 90; 90 | 862.886 | Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael Refinement of anomalous dispersion correction parameters in single-crystal structure determinations IUCrJ, 2022, 9 |
| 1568793 | CIF | C522 H496 N72 Ni52 O264 | F d -3 :2 | 57.933; 57.933; 57.933 90; 90; 90 | 194437 | Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks. IUCrJ, 2023, 10 |
| 1568794 | CIF | C540 H544 N60 Ni52 O264 | F d -3 :2 | 58.6; 58.6; 58.6 90; 90; 90 | 201230 | Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks. IUCrJ, 2023, 10 |
| 1568795 | CIF | C504 H442 Br18 N72 Ni52 O264 | F d -3 :2 | 58.069; 58.069; 58.069 90; 90; 90 | 195809 | Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks. IUCrJ, 2023, 10 |
| 1568796 | CIF | C522 H496 Co52 N72 O264 | F d -3 :2 | 58.38; 58.38; 58.38 90; 90; 90 | 198972 | Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks. IUCrJ, 2023, 10 |
| 1568921 | CIF Paper | C32 H31 K O14 | P 1 2/n 1 | 11.2185; 10.2204; 13.5244 90; 106.427; 90 | 1487.38 | Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ, 2023, 10 |
| 1568922 | CIF | C34 H33 K O13 | C 1 2/c 1 | 19.4072; 20.4384; 17.3645 90; 104.006; 90 | 6682.9 | Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ, 2023, 10 |
| 1568923 | CIF | C33 H31 K O13 | C 1 2/c 1 | 19.6211; 20.3628; 17.2684 90; 104.282; 90 | 6686.19 | Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ, 2023, 10 |
| 1568924 | CIF | C16 H19 K O9 | P b c a | 13.9343; 7.8657; 31.4425 90; 90; 90 | 3446.19 | Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ, 2023, 10 |
| 1568925 | CIF | C16 H13.5 Na0.5 O6 | P 1 2/n 1 | 10.7741; 9.6357; 13.8452 90; 107.103; 90 | 1373.79 | Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ, 2023, 10 |
| 1568926 | CIF | C36 H39 Na O14 | P -1 | 10.8865; 10.9884; 16.1451 81.871; 74.681; 68.049 | 1725.73 | Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ, 2023, 10 |
| 1568927 | CIF | C16 H15 Na O7 | P 1 21/c 1 | 11.0666; 13.2714; 10.0412 90; 94.43; 90 | 1470.34 | Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J. Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation. IUCrJ, 2023, 10 |
| 1569195 | CIF Paper | Al7.44 Ca2.62 K2.63 Mg0.6 Na0.13 O100.8 Si28.56 | P 63/m m c | 13.2708; 13.2708; 15.0958 90; 90; 120 | 2302.4 | Giacobbe, Carlotta; Moliterni, Anna; Di Giuseppe, Dario; Malferrari, Daniele; Wright, Jonathan P.; Mattioli, Michele; Ranieri, Simona; Giannini, Cinzia; Fornasini, Laura; Mugnaioli, Enrico; Ballirano, Paolo; Gualtieri, Alessandro F. The crystal structure of the killer fibre erionite from Tuzköy (Cappadocia, Turkey). IUCrJ, 2023 |
| 1569410 | CIF Paper | C12 H12 N10 O7 | P 1 2/c 1 | 8.0781; 4.793; 18.345 90; 90.223; 90 | 710.28 | Bravetti, Federica; Tapmeyer, Lukas; Skorodumov, Kathrin; Alig, Edith; Habermehl, Stefan; Hühn, Robert; Bordignon, Simone; Gallo, Angelo; Nervi, Carlo; Chierotti, Michele R.; Schmidt, Martin U. Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D. IUCrJ, 2023, 10, 448-463 |
| 1569411 | CIF Paper | C6 H5.34 N5 O3.17 | P 1 2/c 1 | 8.10257; 4.83656; 17.8289 90; 88.531; 90 | 698.46 | Bravetti, Federica; Tapmeyer, Lukas; Skorodumov, Kathrin; Alig, Edith; Habermehl, Stefan; Hühn, Robert; Bordignon, Simone; Gallo, Angelo; Nervi, Carlo; Chierotti, Michele R.; Schmidt, Martin U. Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D. IUCrJ, 2023, 10, 448-463 |
| 1569412 | CIF Paper | C53.14 H44.05 I6 N12 O1.01 Zn3 | C 1 2/c 1 | 35.5224; 14.9127; 30.922 90; 102.4; 90 | 15998.3 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569413 | CIF | C55.92 H45.25 I6 N12 O1.33 Zn3 | C 1 2/c 1 | 35.6703; 14.9029; 30.5678 90; 102.121; 90 | 15887.3 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569414 | CIF | C53.17 H48.75 I6.01 N12 O0.62 Zn3.01 | P -1 | 14.8189; 19.1026; 31.814 101.557; 92.34; 110.826 | 8184.8 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569415 | CIF | C45.94 H34.64 I6 N12.54 O0.54 Zn3 | C 1 2/c 1 | 35.62; 14.9567; 30.9945 90; 102.899; 90 | 16095.9 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569416 | CIF | C45.57 H34.77 I6 N12 O1.2 Zn3 | C 1 2/c 1 | 35.3379; 14.8649; 31.6259 90; 102.979; 90 | 16188.5 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569417 | CIF | C50.67 H46.7 I6 N12 O1.42 Zn3 | P 1 2/n 1 | 31.5077; 14.9991; 34.4289 90; 102.086; 90 | 15910 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569418 | CIF | C54.39 H49.06 I6 N12 O3.35 Zn3 | C 1 2/c 1 | 34.533; 15.0103; 30.9081 90; 101.4; 90 | 15705.2 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569419 | CIF | C56.93 H43.09 I6.02 N12 O1.61 Zn3.01 | C 1 2/c 1 | 35.4079; 14.9066; 31.8633 90; 103.664; 90 | 16341.8 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569420 | CIF | C44.23 H30.91 F0.63 I6 N12 O0.63 Zn3 | C 1 2/c 1 | 35.6889; 14.8458; 31.8064 90; 103.685; 90 | 16373.6 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569421 | CIF | C48.16 H34.29 F0.94 I6 N12 O0.94 Zn3 | C 1 2/c 1 | 35.7099; 14.85945; 31.593 90; 103.011; 90 | 16333.8 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569422 | CIF | C22.86 H16.22 I3.75 N6 O0.37 Zn1.5 | P -1 | 14.778; 18.2345; 30.797 98.227; 91.736; 113.055 | 7523.4 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569423 | CIF | C49.98 H38.21 I6 N12 O Zn3 | C 1 2/c 1 | 35.5509; 14.9182; 30.8851 90; 102.449; 90 | 15995 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569424 | CIF | C48.24 H36.74 I6 N12 O0.53 Zn3 | C 1 2/c 1 | 34.9529; 14.9266; 30.7318 90; 101.777; 90 | 15696.1 | Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges IUCrJ, 2023, 10, 497-508 |
| 1569763 | CIF Paper | C9 H14 N2 O4 | P 1 21/n 1 | 7.884; 7.2121; 16.7362 90; 94.4437; 90 | 948.76 | Saifina, Alina F.; Kartashov, Sergey V.; Saifina, Liliya F.; Fayzullin, Robert R. Applicability of transferable multipole pseudo-atoms for restoring inner-crystal electronic force density fields. Chemical bonding and binding features in the crystal and dimer of 1,3-bis(2-hydroxyethyl)-6-methyluracil IUCrJ, 2023, 10, 584-602 |
| 1569894 | CIF Paper | C14 H16 N2 O10 Zn | P 1 21/c 1 | 9.4322; 11.3669; 16.0822 90; 106; 90 | 1657.46 | Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties. IUCrJ, 2023, 10 |
| 1569895 | CIF | C14 H16 Co N2 O10 | P 43 21 2 | 10.2539; 10.2539; 30.4058 90; 90; 90 | 3196.9 | Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties. IUCrJ, 2023, 10 |
| 1569896 | CIF | C24 H18 N4 O7 Zn | P -1 | 8.5332; 9.6081; 14.1363 95.32; 97.103; 104.473 | 1104.36 | Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties. IUCrJ, 2023, 10 |
| 1569897 | CIF | C24 H20 Co N4 O8 | P -1 | 7.7901; 10.0895; 15.5233 94.751; 101.411; 107.809 | 1125.17 | Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties. IUCrJ, 2023, 10 |
| 1569898 | CIF | C24 H18 Cu N4 O7 | P 1 21/n 1 | 7.2074; 16.8579; 18.3599 90; 100.371; 90 | 2194.31 | Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties. IUCrJ, 2023, 10 |
| 1569899 | CIF | C24 H18 N4 O6 | C 1 2/c 1 | 12.02; 11.953; 14.174 90; 103.163; 90 | 1982.9 | Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties. IUCrJ, 2023, 10 |
| 1569900 | CIF | C50 H48 N8 O14 Zn | P 1 2/c 1 | 14.1895; 14.8309; 22.402 90; 92.676; 90 | 4709.2 | Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties. IUCrJ, 2023, 10 |
| 1569988 | CIF Paper | C34 H26 N2 S2 | P -1 | 9.4895; 11.6539; 13.4967 114.125; 100.242; 91.853 | 1331.33 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569989 | CIF | C34 H26 N2 S2 | I 1 2/a 1 | 9.8916; 25.9653; 10.937 90; 109.525; 90 | 2647.5 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569990 | CIF | C84 H64 N4 O12 S4 | P 1 2/n 1 | 17.1862; 12.2494; 18.3174 90; 113.273; 90 | 3542.4 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569991 | CIF | C185 H145 N8 O28 S8 | P -1 | 10.602; 16.714; 24.181 71.454; 88.132; 78.607 | 3980.2 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569992 | CIF | C49 H35 N2 O12 S2 | P 1 21/c 1 | 9.6987; 20.7245; 22.9341 90; 101.68; 90 | 4514.32 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569993 | CIF | C42 H32 N2 O4 S2 | P n a 21 | 30.6739; 9.6686; 24.285 90; 90; 90 | 7202.3 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569994 | CIF | C68 H56 Co N4 O2 S4 | F d d d :2 | 9.8404; 21.4458; 67.537 90; 90; 90 | 14252.7 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569995 | CIF | C68 H56 N4 Ni O2 S4 | F d d d :2 | 9.8621; 21.6164; 67.069 90; 90; 90 | 14298 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569996 | CIF | C68 H56 N6 O8 S4 Zn | F d d d :2 | 9.8296; 21.4844; 67.4 90; 90; 90 | 14233.7 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569997 | CIF Paper | C68 H56 Cd N6 O8 S4 | F d d d :2 | 9.8116; 21.432; 69.162 90; 90; 90 | 14544 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569998 | CIF Paper | C35 H28 Cl2 Cu I N2 S2 | P -1 | 9.496; 10.032; 17.38 86.772; 84.163; 83.443 | 1634.7 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1569999 | CIF Paper | C74 H66 Br2 Cu N6 O2 S4 | P -1 | 9.5108; 11.4444; 16.0164 105.012; 98.452; 99.178 | 1629.52 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570000 | CIF Paper | C42 H33 N3 O8 S2 Zn | P -1 | 10.1753; 10.952; 18.411 89.839; 82.711; 69.145 | 1899.8 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570001 | CIF Paper | C82 H60 N4 O5 S4 Zn | P -1 | 14.2712; 14.7916; 19.2839 98.124; 104.4; 117.968 | 3320.3 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570002 | CIF Paper | C90 H93 N7 O17 S4 Zn2 | P -1 | 11.873; 17.012; 22.921 78.006; 76.999; 83.799 | 4403.4 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570003 | CIF Paper | C46 H39 N3 O8 S2 Zn | P -1 | 10.1309; 11.6998; 19.7642 76.491; 78.625; 67.929 | 2095.27 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570004 | CIF Paper | C46 H37 N3 O7 S2 Zn | P -1 | 10.262; 11.2119; 18.905 87.543; 82.666; 66.797 | 1982.8 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570005 | CIF Paper | C48 H38 N2 O6 S2 Zn | P 64 2 2 | 15.4656; 15.4656; 45.0635 90; 90; 120 | 9334.5 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570006 | CIF Paper | C76 H56 N4 O4 S4 Zn2 | I 1 2/a 1 | 20.2935; 16.6798; 25.1409 90; 109.835; 90 | 8005.1 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
| 1570096 | CIF Paper | C34 H20 F18 N4 | P 1 21/n 1 | 12.6847; 5.8648; 23.2236 90; 93.284; 90 | 1724.84 | Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl Single-crystal quality data from polycrystalline samples: finding the needle in the haystack. IUCrJ, 2023, 10 |
| 1570097 | CIF | C11 H5 F6 N | P 21 21 21 | 5.8577; 10.4534; 17.3482 90; 90; 90 | 1062.28 | Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl Single-crystal quality data from polycrystalline samples: finding the needle in the haystack. IUCrJ, 2023, 10 |
| 1570098 | CIF | C14 H11 F5 | P -1 | 6.3499; 7.2178; 7.3804 108.087; 93.949; 98.796 | 315.32 | Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl Single-crystal quality data from polycrystalline samples: finding the needle in the haystack. IUCrJ, 2023, 10 |
| 1570099 | CIF | C14 H11 F5 | I -1 | 10.2296; 8.7819; 14.6776 106.811; 80.111; 97.168 | 1239.51 | Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl Single-crystal quality data from polycrystalline samples: finding the needle in the haystack. IUCrJ, 2023, 10 |
| 1570230 | CIF Paper | P4 | P 21 21 21 | 18.302; 18.302; 36.441 90; 90; 90 | 12206 | Herbst-Irmer, Regine; Wang, Xiaobai; Haberstock, Laura; Köhne, Ingo; Oswald, Rainer; Behler, Jörg; Stalke, Dietmar A new polymorph of white phosphorus at ambient conditions IUCrJ, 2023, 10, 766-771 |
| 1570231 | CIF Paper | P4 | P 21 21 21 | 18.298; 18.298; 36.408 90; 90; 90 | 12190 | Herbst-Irmer, Regine; Wang, Xiaobai; Haberstock, Laura; Köhne, Ingo; Oswald, Rainer; Behler, Jörg; Stalke, Dietmar A new polymorph of white phosphorus at ambient conditions IUCrJ, 2023, 10, 766-771 |
| 1570302 | CIF Paper | C27 H33 F N4 O4 | P 1 21/c 1 | 23.295; 10.179; 10.6479 90; 97.284; 90 | 2504.5 | Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs. IUCrJ, 2024, 11, 23-33 |
| 1570303 | CIF | C31 H41 F N4 O4 | P 1 21/c 1 | 26.953; 10.08; 10.753 90; 92.658; 90 | 2918 | Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs. IUCrJ, 2024, 11, 23-33 |
| 1570304 | CIF | C35 H49 F N4 O4 | P 1 21/c 1 | 31.029; 9.9381; 10.8384 90; 99.374; 90 | 3297.6 | Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs. IUCrJ, 2024, 11, 23-33 |
| 1570305 | CIF | C39 H57 F N4 O4 | P 1 21/c 1 | 34.188; 9.828; 10.8068 90; 92.992; 90 | 3626.1 | Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs. IUCrJ, 2024, 11, 23-33 |
| 1570433 | CIF | C2 H6 O | P 1 21/c 1 | 5.5541; 6.6179; 6.964 90; 103.835; 90 | 248.55 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570434 | CIF | C2 H6 O | P 1 21/c 1 | 5.5277; 6.527; 6.8941 90; 103.869; 90 | 241.5 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570435 | CIF | C2 H6 O | P 1 21/c 1 | 5.5073; 6.493; 6.8431 90; 103.848; 90 | 237.59 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570436 | CIF | C2 H6 O | P -1 | 4.3394; 8.414; 12.821 90.55; 93.89; 90.83 | 467 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570437 | CIF | C2 H6 O | P -1 | 4.2888; 8.3045; 12.7912 90.249; 93.92; 90.14 | 454.5 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570438 | CIF | C2 H6 O | P -1 | 4.25; 8.198; 12.6105 90.641; 93.97; 90.04 | 438.3 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570439 | CIF | C4 H10 O | P 1 21/c 1 | 6.8268; 8.1428; 7.7731 90; 93.443; 90 | 431.32 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570440 | CIF | C4 H10 O | P 1 21/c 1 | 6.7948; 8.0952; 7.7259 90; 93.621; 90 | 424.12 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570441 | CIF | C4 H10 O | P 1 21/c 1 | 6.7759; 8.0552; 7.6873 90; 93.713; 90 | 418.7 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570442 | CIF | C4 H10 O | P 1 21/c 1 | 6.7612; 8.0271; 7.6687 90; 93.784; 90 | 415.29 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570443 | CIF | C4 H10 O | I 1 2/a 1 | 7.7073; 4.0885; 13.233 90; 93.793; 90 | 416.08 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570444 | CIF | C4 H10 O | P -1 | 5.1196; 5.6659; 7.2999 97.275; 102.728; 96.747 | 202.56 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570445 | CIF | C4 H10 O | P -1 | 5.0809; 5.6329; 7.2451 97.382; 102.749; 97.002 | 198.13 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570446 | CIF | C4 H10 O | P -1 | 5.072; 5.629; 7.215 97.43; 102.91; 97.15 | 196.6 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570447 | CIF | C4 H10 O | P -1 | 5.0182; 5.575; 7.136 97.36; 102.81; 97.72 | 190.31 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570448 | CIF | C6 H14 O | P 1 21/c 1 | 9.416; 4.1817; 15.579 90; 101.23; 90 | 601.7 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570449 | CIF | C6 H14 O | P 1 21/c 1 | 9.368; 4.1229; 15.434 90; 100.84; 90 | 585.5 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570450 | CIF | C6 H14 O | P 1 21/c 1 | 9.293; 4.0686; 15.1855 90; 100.35; 90 | 564.8 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570451 | CIF | C6 H14 O | P 1 21/c 1 | 9.198; 4.0064; 14.9459 90; 99.54; 90 | 543.2 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
| 1570452 | CIF | C6 H14 O | P 1 21/c 1 | 9.099; 3.9465; 14.649 90; 98.32; 90 | 520.5 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
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