Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica Section B'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2107618 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.0391; 11.4914; 13.4616 90; 96.676; 90 | 1081.51 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107619 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.0534; 11.5465; 13.4903 90; 96.648; 90 | 1091.29 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107620 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.0638; 11.6103; 13.5208 90; 96.459; 90 | 1101.8 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107621 | CIF HKL | C6 H12 Cl2 O Pd S2 | P 1 21/n 1 | 7.0749; 11.6762; 13.5923 90; 96.32; 90 | 1116.01 | Tidey, Jeremiah P.; Wong, Henry L. S.; McMaster, Jonathan; Schröder, Martin; Blake, Alexander J. High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex Acta Crystallographica Section B, 2016, 72, 357-371 |
| 2107622 | CIF HKL Paper | C15 H14 Mn N2 O6 | P b c a | 14.648; 12.4006; 16.6062 90; 90; 90 | 3016.4 | Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B, 2016, 72, 389-394 |
| 2107623 | CIF HKL | C15 H14 Mn N2 O6 | P b c a | 14.3847; 12.2888; 16.6029 90; 90; 90 | 2934.9 | Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B, 2016, 72, 389-394 |
| 2107624 | CIF | C15 H14 Mn N2 O6 | P b c a | 14.1985; 12.0745; 16.5616 90; 90; 90 | 2839.3 | Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B, 2016, 72, 389-394 |
| 2107625 | CIF HKL | C15 H14 Mn N2 O6 | P b c a | 14.15; 11.86; 16.574 90; 90; 90 | 2781.4 | Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B, 2016, 72, 389-394 |
| 2107626 | CIF HKL | C15 H14 Mn N2 O6 | P b c a | 14.138; 11.686; 16.583 90; 90; 90 | 2739.8 | Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B, 2016, 72, 389-394 |
| 2107627 | CIF HKL | C15 H14 Mn N2 O6 | P b c a | 14.14; 11.319; 16.6 90; 90; 90 | 2656.8 | Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo Anisotropic compressibility of the coordination polymer emim[Mn(btc)] Acta Crystallographica Section B, 2016, 72, 389-394 |
| 2107628 | CIF HKL Paper | Bi2.27 Cu O6.18 Sr1.73 | A 1 2/a 1 | 5.3869; 5.3874; 24.579 90; 90.01; 90 | 713.32 | Mironov, Andrei V.; Petříček, Vaclav; Khasanova, Nellie R.; Antipov, Evgeny V. New insight on bismuth cuprates with incommensurate modulated structures Acta Crystallographica Section B, 2016, 72, 395-403 |
| 2107629 | CIF HKL Paper | C12 H30 Co N11 O9 | P 1 21 1 (c,2*a+c,b) | 8.4283; 14.5984; 15.7057 90; 90; 89.9943 | 1932.42 | Dey, Somnath; Schönleber, Andreas; Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander; Larsen, Finn Krebs The <i>Z</i>' = 12 superstructure of Λ-cobalt(III) sepulchrate trinitrate governed by C—H···O hydrogen bonds Acta Crystallographica Section B, 2016, 72, 372-380 |
| 2107630 | CIF HKL Paper | C11 H19 N | P 1 21/m 1 | 8.2451; 6.5202; 8.8214 90; 96.509; 90 | 471.18 | Mohamed, Sharmarke; Karothu, Durga Prasad; Naumov, Panče Using crystal structure prediction to rationalize the hydration propensities of substituted adamantane hydrochloride salts Acta Crystallographica Section B, 2016, 72, 551-561 |
| 2107631 | CIF HKL | C11 H20 Cl N | P 21 21 21 | 6.6114; 20.4778; 24.6057 90; 90; 90 | 3331.3 | Mohamed, Sharmarke; Karothu, Durga Prasad; Naumov, Panče Using crystal structure prediction to rationalize the hydration propensities of substituted adamantane hydrochloride salts Acta Crystallographica Section B, 2016, 72, 551-561 |
| 2107632 | CIF HKL | C21 H27 Cl N2 | I 4/m | 20.275; 20.275; 5.0989 90; 90; 90 | 2096.03 | Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B, 2016, 72, 571-583 |
| 2107633 | CIF HKL | C21 H27 Cl N2 | I 4/m | 20.275; 20.275; 5.0989 90; 90; 90 | 2096.03 | Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B, 2016, 72, 571-583 |
| 2107634 | CIF HKL | C21 H27 Cl N2 | I 4/m | 19.924; 19.924; 5.088 90; 90; 90 | 2019.8 | Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B, 2016, 72, 571-583 |
| 2107635 | CIF HKL | C21 H27 Cl N2 | I 4/m | 19.924; 19.924; 5.088 90; 90; 90 | 2019.8 | Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B, 2016, 72, 571-583 |
| 2107636 | CIF HKL Paper | C6 H15 As2 N3 O10 | P 1 21 1 | 9.2196; 8.9077; 8.83 90; 108.69; 90 | 686.93 | Tyagi, Nidhi; Sinha, Nidhi; Yadav, Harsh; Kumar, Binay Growth, morphology, structure and characterization of <small>L</small>-histidinium dihydrogen arsenate orthoarsenic acid single crystal Acta Crystallographica Section B, 2016, 72, 593-601 |
| 2107637 | CIF Paper | In Mo4 O6 | P 4/m b m | 9.6664; 9.6664; 2.8645 90; 90; 90 | 267.66 | Schultz, Peter; Simon, Arndt; Oeckler, Oliver Modulated crystal structure of InMo~4~O~6~ Acta Crystallographica Section B, 2016, 72, 642-649 |
| 2107638 | CIF HKL | C32 H50 O4 | P 21 21 21 | 12.9577; 13.0369; 16.3908 90; 90; 90 | 2768.87 | Langer, Dominik; Wicher, Barbara; Szczołko, Wojciech; Gdaniec, Maria; Tykarska, Ewa Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules Acta Crystallographica Section B, 2016, 72, 584-592 |
| 2107639 | CIF HKL | C33 H52 O4 | P 21 21 21 | 11.7789; 13.0812; 18.7845 90; 90; 90 | 2894.36 | Langer, Dominik; Wicher, Barbara; Szczołko, Wojciech; Gdaniec, Maria; Tykarska, Ewa Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules Acta Crystallographica Section B, 2016, 72, 584-592 |
| 2107640 | CIF HKL | C36 H57 N O5 | P 21 21 21 | 12.87; 13.6972; 18.5682 90; 90; 90 | 3273.26 | Langer, Dominik; Wicher, Barbara; Szczołko, Wojciech; Gdaniec, Maria; Tykarska, Ewa Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules Acta Crystallographica Section B, 2016, 72, 584-592 |
| 2107952 | CIF Paper | Al0.16 Ba2 Ca0.05 Cu2.84 O6.75 Y0.95 | P 4/m m m | 3.8551; 3.8551; 11.6782 90; 90; 90 | 173.56 | Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B, 2016, 72, 702-708 |
| 2107953 | CIF | Al0.1 Ba2 Ca0.08 Cu2.9 O6.89 Y0.92 | P 4/m m m | 3.8526; 3.8526; 11.666 90; 90; 90 | 173.15 | Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B, 2016, 72, 702-708 |
| 2107954 | CIF Paper | C H6 I3 N Pb | I 4 2 2 | 8.88375; 8.88375; 12.701 90; 90; 90 | 1002.38 | Arakcheeva, Alla; Chernyshov, Dmitry; Spina, Massimo; Forró, László; Horváth, Endre CH~3~NH~3~PbI~3~: precise structural consequences of water absorption at ambient conditions Acta Crystallographica Section B, 2016, 72, 716-722 |
| 2107955 | CIF HKL Paper | C0.925 H5.55 I2.982 N0.925 O0.088 Pb | P 42 21 2 | 8.8829; 8.8829; 12.7008 90; 90; 90 | 1002.17 | Arakcheeva, Alla; Chernyshov, Dmitry; Spina, Massimo; Forró, László; Horváth, Endre CH~3~NH~3~PbI~3~: precise structural consequences of water absorption at ambient conditions Acta Crystallographica Section B, 2016, 72, 716-722 |
| 2107956 | CIF HKL Paper | C28 H26 N4 O2 | P -1 | 8.9389; 9.7292; 16.065 89.067; 78.856; 62.927 | 1216.48 | Di Paolo, Matias; Bossi, Mariano L.; Baggio, Ricardo; Suarez, Sebastián A. Two rhodamine 6G derivative compounds: a structural and fluorescence single-crystal study Acta Crystallographica Section B, 2016, 72, 684-692 |
| 2107957 | CIF HKL Paper | C30 H33 N3 O4 | P -1 | 9.425; 11.6209; 12.608 88.708; 68.696; 86.313 | 1283.89 | Di Paolo, Matias; Bossi, Mariano L.; Baggio, Ricardo; Suarez, Sebastián A. Two rhodamine 6G derivative compounds: a structural and fluorescence single-crystal study Acta Crystallographica Section B, 2016, 72, 684-692 |
| 2107958 | CIF HKL Paper | C10 H12 Br2 O2 | P 1 21/c 1 | 16.663; 7.943; 8.924 90; 94.725; 90 | 1177.1 | Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D. Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes Acta Crystallographica Section B, 2016, 72, 693-701 |
| 2107959 | CIF HKL | C30 H52 Br2 O2 | P 1 21/c 1 | 39.897; 8.421; 9.321 90; 91.622; 90 | 3130 | Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D. Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes Acta Crystallographica Section B, 2016, 72, 693-701 |
| 2107960 | CIF HKL | C34 H60 Br2 O2 | P 1 21/c 1 | 45.22; 8.374; 9.279 90; 91.809; 90 | 3512 | Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D. Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes Acta Crystallographica Section B, 2016, 72, 693-701 |
| 2107961 | CIF HKL | C42 H76 Br2 O2 | C 1 2/c 1 | 110.75; 8.2292; 9.1539 90; 92.268; 90 | 8336.2 | Suarez, Sebastián A.; Muller, Federico; Gutiérrez Suburu, Matías E.; Fonrouge, Ana; Baggio, Ricardo F.; Cukiernik, Fabio D. Br···Br and van der Waals interactions along a homologous series: crystal packing of 1,2-dibromo-4,5-dialkoxybenzenes Acta Crystallographica Section B, 2016, 72, 693-701 |
| 2107962 | CIF HKL | C24 H34 N6 | P -1 | 8.7977; 10.3488; 13.4887 84.101; 87.035; 73.903 | 1173.34 | Raghavaiah, P.; Kuladeep, R.; Narayana Rao, D.; Jyothi Lakshmi, A.; Srujana, P.; Subbalakshmi, J. <i>Bis</i>-(1-(2-aminoethyl)piperidino), (2-(2-aminoethyl)pyridino) and (1-(2-aminoethyl)pyrrolidino)-substituted dicyanoquinodimethanes: consequences of flexible ethylene spacers with heterocyclic moieties and amine functionalities Acta Crystallographica Section B, 2016, 72, 709-715 |
| 2107963 | CIF HKL | C24 H22 N6 | P 21 21 21 | 8.2134; 12.2105; 21.052 90; 90; 90 | 2111.3 | Raghavaiah, P.; Kuladeep, R.; Narayana Rao, D.; Jyothi Lakshmi, A.; Srujana, P.; Subbalakshmi, J. <i>Bis</i>-(1-(2-aminoethyl)piperidino), (2-(2-aminoethyl)pyridino) and (1-(2-aminoethyl)pyrrolidino)-substituted dicyanoquinodimethanes: consequences of flexible ethylene spacers with heterocyclic moieties and amine functionalities Acta Crystallographica Section B, 2016, 72, 709-715 |
| 2107964 | CIF HKL | C22 H30 N6 | P 1 21/c 1 | 13.143; 10.3517; 16.1607 90; 101.651; 90 | 2153.4 | Raghavaiah, P.; Kuladeep, R.; Narayana Rao, D.; Jyothi Lakshmi, A.; Srujana, P.; Subbalakshmi, J. <i>Bis</i>-(1-(2-aminoethyl)piperidino), (2-(2-aminoethyl)pyridino) and (1-(2-aminoethyl)pyrrolidino)-substituted dicyanoquinodimethanes: consequences of flexible ethylene spacers with heterocyclic moieties and amine functionalities Acta Crystallographica Section B, 2016, 72, 709-715 |
| 2107965 | CIF Paper | C3 H3 N3 O2 | P 1 21/c 1 | 7.3215; 9.8106; 6.7539 90; 115.71; 90 | 437.095 | Kalaiarasi, Chinnasamy; Pavan, Mysore S.; Kumaradhas, Poomani Topological characterization of electron density, electrostatic potential and intermolecular interactions of 2-nitroimidazole: an experimental and theoretical study Acta Crystallographica Section B, 2016, 72, 775-786 |
| 2107966 | CIF HKL Paper | C9 H16 S Si | P 21 21 21 | 5.6366; 11.0112; 17.8309 90; 90; 90 | 1106.69 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of trialkylsilyl-capped (3<i>Z</i>)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order‒disorder descriptions Acta Crystallographica Section B, 2016, 72, 753-762 |
| 2107967 | CIF HKL | C15 H28 S Si | P -1 | 7.962; 13.842; 15.326 92.33; 99.313; 90.721 | 1665.1 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of trialkylsilyl-capped (3<i>Z</i>)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order‒disorder descriptions Acta Crystallographica Section B, 2016, 72, 753-762 |
| 2107968 | CIF HKL | C15 H28 S Si | P -1 | 9.4082; 11.2004; 16.3446 79.108; 83.424; 89.3 | 1680.1 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of trialkylsilyl-capped (3<i>Z</i>)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order‒disorder descriptions Acta Crystallographica Section B, 2016, 72, 753-762 |
| 2107969 | CIF HKL | C12 H22 S Si | P -1 | 6.2535; 7.2501; 32.335 92.496; 91.452; 107.191 | 1398.1 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of trialkylsilyl-capped (3<i>Z</i>)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order‒disorder descriptions Acta Crystallographica Section B, 2016, 72, 753-762 |
| 2107970 | CIF Paper | C22 H33 N3 O6 S | P 1 21 1 | 8.3052; 6.1117; 23.7414 90; 93.652; 90 | 1202.64 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107971 | CIF Paper | C25 H30 N2 O4 S | P 1 21/c 1 | 16.9513; 6.9458; 21.5346 90; 95.409; 90 | 2524.2 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107972 | CIF Paper | C25 H28 N2 O3 S | P 1 21/c 1 | 8.6363; 20.6504; 12.9243 90; 93.435; 90 | 2300.82 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107973 | CIF Paper | C25 H27 N3 O3 S2 | P 1 21/n 1 | 6.8375; 15.8835; 23.2329 90; 92.451; 90 | 2520.86 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107974 | CIF Paper | C18 H23 Cl N2 S | P 1 21/c 1 | 16.9383; 6.5283; 17.8173 90; 111.406; 90 | 1834.3 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107975 | CIF Paper | C36 H45 Cl N4 S2 | P 1 21/c 1 | 20.9755; 7.716; 10.6432 90; 93.067; 90 | 1720.1 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107976 | CIF Paper | C18 H23 Br N2 S | P 1 21/c 1 | 13.0982; 18.2551; 7.8088 90; 100.698; 90 | 1834.7 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107977 | CIF Paper | C36 H45 Br N4 S2 | P 1 21/c 1 | 21.1781; 7.8799; 10.5126 90; 87.993; 90 | 1753.28 | Zhou, Xinbo; Hu, Xiurong; Wu, Suxiang; Ye, Jiali; Sun, Mengying; Gu, Jianming; Zhu, Jianrong; Zhang, Zhongliang Structures and physicochemical properties of vortioxetine salts Acta Crystallographica Section B, 2016, 72, 723-732 |
| 2107978 | CIF HKL Paper | C42 H67 N O3 S Si | C 1 c 1 | 11.6341; 17.8996; 20.096 90; 101.098; 90 | 4106.6 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
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