Crystallography Open Database
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Result: there are 393 entries in the selection
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Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 62
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Cell parameters | Cell volume ![]() |
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| 2100425 | CIF Paper | C16 H26 O6 | P 31 | 18.685; 18.685; 12.2539 90; 90; 120 | 3705.03 | A. David Rae; Anthony C. Willis; David T. Loong; Martin G. Banwell (<i>Z</i>,2<i>R</i>,3<i>R</i>,4a<i>R</i>,7<i>R</i>,12a<i>S</i>)-2,3,7,8,12,12a-Hexahydro-2,3-dimethoxy-2,3,7-trimethyl-4a<i>H</i>-[1,4]dioxino[2,3-<i>c</i>]oxecin-5(11<i>H</i>)-one: a commensurate occupationally modulated structure revealing a condition for diffraction symmetry enhancement for non-parent reflections Acta Crystallographica Section B, 2006, 62, 262-267 |
| 2100426 | CIF Paper | Ba1.117 Ni0.117 O3 Rh0.883 | R-3m(00\g)0s | 10.0576; 10.0576; 2.5862 90; 90; 120 | 226.56 | Schönleber, Andreas; Zúñiga, F. Javier; Perez-Mato, J. Manuel; Darriet, Jacques; zur Loye, Hans-Conrad Description of Ba~1+<i>x~</i>Ni~<i>x~</i>Rh~1{-~<i>x</i>}O~3~ with <i>x</i> = 0.1170(5) in superspace: modulated composite <i>versus</i> modulated-layer structure Acta Crystallographica Section B, 2006, 62, 197-204 |
| 2100427 | CIF Paper | Ba Ni0.105 O2.686 Rh0.791 | X-3c1(00\g)000 | 10.0576; 10.0576; 4.6306 90; 90; 120 | 405.65 | Schönleber, Andreas; Zúñiga, F. Javier; Perez-Mato, J. Manuel; Darriet, Jacques; zur Loye, Hans-Conrad Description of Ba~1+<i>x~</i>Ni~<i>x~</i>Rh~1{-~<i>x</i>}O~3~ with <i>x</i> = 0.1170(5) in superspace: modulated composite <i>versus</i> modulated-layer structure Acta Crystallographica Section B, 2006, 62, 197-204 |
| 2100428 | CIF HKL Paper | Ba0.38 K0.085 Na0.07 Nb2 O6 Sr0.56 | X4bm | 12.4375; 12.4375; 7.8807 90; 90; 90 | 1219.08 | Surmin, Audrey; Fertey, Pierre; Schaniel, Dominik; Woike, Theo Modulated structure of potassium sodium strontium barium niobates (KNSBN): harmonic solution Acta Crystallographica Section B, 2006, 62, 228-235 |
| 2100429 | CIF HKL Paper | Ba0.26 K0.09 Na0.08 Nb2 O6 Sr0.67 | X4bm | 12.4292; 12.4292; 7.8524 90; 90; 90 | 1213.08 | Surmin, Audrey; Fertey, Pierre; Schaniel, Dominik; Woike, Theo Modulated structure of potassium sodium strontium barium niobates (KNSBN): harmonic solution Acta Crystallographica Section B, 2006, 62, 228-235 |
| 2100430 | CIF Paper | Cl6 N3 P3 | P n m a | 13.8572; 12.8086; 6.0801 90; 90; 90 | 1079.17 | Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker Structural investigations of phosphorus–nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives Acta Crystallographica Section B, 2006, 62, 321-329 |
| 2100431 | CIF Paper | C4 H10 Cl5 N4 P3 | P 1 21/c 1 | 13.8045; 10.7964; 20.7719 90; 104.132; 90 | 3002.1 | Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker Structural investigations of phosphorus–nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives Acta Crystallographica Section B, 2006, 62, 321-329 |
| 2100432 | CIF Paper | C8 H20 Cl4 N5 P3 | P n a 21 | 20.3441; 11.9481; 15.9661 90; 90; 90 | 3880.9 | Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker Structural investigations of phosphorus–nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives Acta Crystallographica Section B, 2006, 62, 321-329 |
| 2100433 | CIF Paper | C16 H40 Cl2 N7 P3 | P 1 21/n 1 | 12.5207; 16.1282; 13.1311 90; 95.903; 90 | 2637.59 | Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker Structural investigations of phosphorus–nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives Acta Crystallographica Section B, 2006, 62, 321-329 |
| 2100434 | CIF Paper | C4 H8 N2 O3 | P 1 21/c 1 | 8.1233; 9.554; 7.8224 90; 107.596; 90 | 578.7 | Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure Acta Crystallographica Section B, 2006, 62, 310-320 |
| 2100435 | CIF Paper | C4 H8 N2 O3 | P 1 21/c 1 | 7.6428; 9.38; 7.6505 90; 103.882; 90 | 532.44 | Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure Acta Crystallographica Section B, 2006, 62, 310-320 |
| 2100436 | CIF Paper | C4 H8 N2 O3 | P 1 21/c 1 | 7.4304; 9.2896; 7.5943 90; 102.465; 90 | 511.84 | Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure Acta Crystallographica Section B, 2006, 62, 310-320 |
| 2100437 | CIF Paper | C4 H8 N2 O3 | P 1 21/c 1 | 7.31; 9.232; 7.55 90; 101.51; 90 | 499.3 | Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure Acta Crystallographica Section B, 2006, 62, 310-320 |
| 2100438 | CIF Paper | C4 H8 N2 O3 | P 1 21/c 1 | 7.2437; 9.2083; 7.5328 90; 101.214; 90 | 492.86 | Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure Acta Crystallographica Section B, 2006, 62, 310-320 |
| 2100439 | CIF Paper | C27.5 H36.5 Co1.5 N2.5 O9.5 | C 1 2/c 1 | 33.311; 9.834; 18.296 90; 92.35; 90 | 5988 | Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn Acta Crystallographica Section B, 2006, 62, 245-254 |
| 2100440 | CIF Paper | C27.5 H36.5 N2.5 O9.5 Zn1.5 | C 1 2/c 1 | 33.2613; 9.7844; 18.2156 90; 92.613; 90 | 5921.96 | Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn Acta Crystallographica Section B, 2006, 62, 245-254 |
| 2100441 | CIF Paper | C27.5 H36.5 N2.5 O9.5 Zn1.5 | C 1 2/c 1 | 33.3307; 9.8105; 18.1988 90; 92.552; 90 | 5944.94 | Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn Acta Crystallographica Section B, 2006, 62, 245-254 |
| 2100442 | CIF Paper | C27.5 H36.5 N2.5 O9.5 Zn1.5 | C 1 2/c 1 | 33.4193; 9.8455; 18.1908 90; 92.495; 90 | 5979.64 | Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn Acta Crystallographica Section B, 2006, 62, 245-254 |
| 2100443 | CIF Paper | C27.5 H36.5 N2.5 O9.5 Zn1.5 | C 1 2/c 1 | 33.5639; 9.8791; 18.1814 90; 92.35; 90 | 6023.54 | Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn Acta Crystallographica Section B, 2006, 62, 245-254 |
| 2100444 | CIF Paper | Ag13.034 As1.179 Cu2.966 S11 Sb0.821 | P -3 m 1 | 7.3876; 7.3876; 11.8882 90; 90; 120 | 561.89 | Bindi, Luca; Evain, Michel; Menchetti, Silvio Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~ Acta Crystallographica, Section B: Structural Science, 2006, 62, 212-219 |
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