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 |
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2108282 | CIF HKL | C18 H24 Au Fe P | P b c a | 13.8732; 11.6316; 22.124 90; 90; 90 | 3570.1 | Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B, 2018, 74 |
2108283 | CIF HKL | C18 H24 Au Fe P | P b 21 a | 13.872; 11.644; 21.96 90; 90; 90 | 3547 | Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B, 2018, 74 |
2108284 | CIF HKL | C18 H24 Au Fe P | P b c a | 14.0011; 11.6244; 21.893 90; 90; 90 | 3563.2 | Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B, 2018, 74 |
2108285 | CIF HKL Paper | C14 H8 F3 O | P 1 21/c 1 | 23.238; 7.5293; 6.2437 90; 92.83; 90 | 1091.1 | Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S. Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer Acta Crystallographica Section B, 2018, 74 |
2108286 | CIF HKL Paper | C14 H8 F3 O | P 1 21/c 1 | 11.505; 6.235; 16.0118 90; 109.293; 90 | 1084.08 | Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S. Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer Acta Crystallographica Section B, 2018, 74 |
2108287 | CIF HKL Paper | C28 H16 F6 O2 | P 1 21/c 1 | 20.5435; 6.2569; 35.797 90; 106.649; 90 | 4408.4 | Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S. Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer Acta Crystallographica Section B, 2018, 74 |
2108288 | CIF HKL | C6 H2 Cl4 | P 1 21/c 1 | 3.8682; 14.9766; 13.4758 90; 90.378; 90 | 780.67 | Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B, 2018, 74, 458-466 |
2108289 | CIF HKL | C6 H2 Cl4 | P 1 21/c 1 | 3.79937; 14.8635; 13.3272 90; 89.674; 90 | 752.6 | Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B, 2018, 74, 458-466 |
2108290 | CIF HKL | C6 H2 Cl4 | P 1 21/c 1 | 3.83433; 23.9377; 17.2355 90; 94.293; 90 | 1577.52 | Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B, 2018, 74, 458-466 |
2108291 | CIF HKL | C6 H2 Cl4 | P 1 21/c 1 | 3.76927; 23.6053; 17.174 90; 94.902; 90 | 1522.46 | Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B, 2018, 74, 458-466 |
2108292 | CIF HKL | C12 H24 Ca O15 | P 21 21 21 | 6.71198; 13.3641; 19.5439 90; 90; 90 | 1753.08 | Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P. Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate Acta Crystallographica Section B, 2018, 74 |
2108293 | CIF HKL | C12 H22 Ca O12 | P 21 21 2 | 6.7573; 19.5874; 5.7344 90; 90; 90 | 758.99 | Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P. Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate Acta Crystallographica Section B, 2018, 74 |
2108294 | CIF | C13 H11 N3 O2 | P 1 21/c 1 | 8.4553; 10.1812; 13.408 90; 98.646; 90 | 1141.1 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
2108295 | CIF | C13 H13 N3 O3 | P b c a | 7.0488; 12.15; 28.649 90; 90; 90 | 2453.6 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
2108296 | CIF Paper | C13 H10 I N3 O | P -1 | 10.0223; 11.1984; 12.4505 109.836; 101.25; 97.494 | 1259.58 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
2108297 | CIF | C15 H11 I N4 | I 41 | 15.0197; 15.0197; 12.8791 90; 90; 90 | 2905.41 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
2108298 | CIF | C15 H11 Br N4 | P 1 21/c 1 | 14.8761; 4.0269; 23.183 90; 105.81; 90 | 1336.23 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
2108299 | CIF | C16 H14 Cl2 N4 O | P 1 21/c 1 | 9.51859; 15.70955; 21.6869 90; 98.0651; 90 | 3210.83 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
2108300 | CIF | C13 H10 Br N3 O | P 1 21/c 1 | 18.763; 6.5126; 10.1237 90; 95.458; 90 | 1231.5 | Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B, 2018, 74 |
2108301 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/c 1 | 4.7568; 19.9611; 13.4063 90; 98.457; 90 | 1259.1 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108302 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/n 1 | 4.808; 9.7371; 27.708 90; 91.735; 90 | 1296.6 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108303 | CIF HKL Paper | C14 H9 Cl F3 N O | P -1 | 4.8189; 9.4501; 14.0283 96.048; 93.4; 93.414 | 632.77 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108304 | CIF HKL Paper | C14 H9 Cl F3 N O | P c a 21 | 7.7658; 19.1333; 8.8369 90; 90; 90 | 1313.03 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108305 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/c 1 | 25.6147; 5.3354; 9.3918 90; 96.775; 90 | 1274.56 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108306 | CIF HKL Paper | C14 H9 Cl F3 N O | P -1 | 5.1563; 10.7617; 11.9075 99.948; 91.911; 102.379 | 633.98 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108307 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/c 1 | 9.445; 15.275; 18.954 90; 97.374; 90 | 2711.9 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108308 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/c 1 | 12.8325; 10.3856; 9.7379 90; 93.059; 90 | 1295.95 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108309 | CIF HKL Paper | C14 H9 Cl F3 N O | P 1 21/c 1 | 16.952; 5.2521; 28.76 90; 94.966; 90 | 2551 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108310 | CIF HKL Paper | C14 H9 Br F3 N O | P 1 21/n 1 | 4.7992; 10.0208; 27.428 90; 91.755; 90 | 1318.44 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108311 | CIF HKL Paper | C14 H9 Br F3 N O | P 1 21/n 1 | 4.8056; 27.8678; 9.8421 90; 94.227; 90 | 1314.48 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108312 | CIF HKL Paper | C14 H9 Br F3 N O | P c a 21 | 7.8062; 19.3; 8.8433 90; 90; 90 | 1332.33 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108313 | CIF HKL Paper | C14 H9 Br F3 N O | P 1 21 1 | 4.8588; 4.9939; 26.0286 90; 91.448; 90 | 631.37 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108314 | CIF HKL Paper | C14 H9 Br F3 N O | P 1 21/c 1 | 13.018; 10.488; 9.7309 90; 94.432; 90 | 1324.6 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108315 | CIF HKL Paper | C14 H9 Br F3 N O | P 1 21/c 1 | 16.9434; 5.2417; 29.141 90; 94.775; 90 | 2579.09 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108316 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 20.7974; 6.5752; 9.6889 90; 93.899; 90 | 1321.86 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108317 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 11.0022; 4.7359; 26.562 90; 97.636; 90 | 1371.7 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108318 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 20.584; 7.1797; 9.1451 90; 97.122; 90 | 1341.1 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108319 | CIF HKL Paper | C14 H9 F3 I N O | P c a 21 | 7.9499; 19.6384; 8.8397 90; 90; 90 | 1380.08 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108320 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 26.9793; 5.2899; 9.5068 90; 95.747; 90 | 1349.97 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108321 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21 1 | 4.9085; 4.9644; 26.7593 90; 92.549; 90 | 651.42 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108322 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 13.292; 10.708; 9.762 90; 96.305; 90 | 1381 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108323 | CIF HKL Paper | C14 H9 F3 I N O | P 1 21/c 1 | 14.7689; 5.2518; 17.2537 90; 93.217; 90 | 1336.1 | Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B, 2018, 74 |
2108324 | CIF HKL | C24 H22 Cl N9 O5 S | P -1 | 7.522; 8.11; 20.892 92.574; 98.836; 103.844 | 1218.3 | Peng, Bo; Wang, Jian-Rong; Mei, Xuefeng Triamterene‒furosemide salt: structural aspects and physicochemical evaluation Acta Crystallographica Section B, 2018, 74 |
2108325 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 3.9978; 3.9978; 3.9978 90; 90; 90 | 63.894 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
2108326 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 4.0406; 4.0406; 4.0406 90; 90; 90 | 65.969 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
2108327 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 4.0581; 4.0581; 4.0581 90; 90; 90 | 66.83 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
2108328 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 4.0763; 4.0763; 4.0763 90; 90; 90 | 67.733 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
2108329 | CIF | Ba F2.8 Li O0.1 | P m -3 m | 3.997; 3.997; 3.997 90; 90; 90 | 63.86 | Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B, 2018, 74 |
2108330 | CIF | C8 H16 Cu2 O10 | C 1 2/c 1 | 13.08438; 8.50319; 14.05022 90; 119.309; 90 | 1363.12 | Herich, Peter; Bučinský, Lukáš; Breza, Martin; Gall, Marián; Fronc, Marek; Petřiček, Václav; Kožíšek, Jozef Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study Acta Crystallographica Section B, 2018, 74 |
2108331 | CIF | C8 H16 Cr2 O10 | C 1 2/c 1 | 13.10149; 8.56324; 14.14837 90; 119.121; 90 | 1386.68 | Herich, Peter; Bučinský, Lukáš; Breza, Martin; Gall, Marián; Fronc, Marek; Petřiček, Václav; Kožíšek, Jozef Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study Acta Crystallographica Section B, 2018, 74 |
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