Crystallography Open Database
Search results
Result: there are 290 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'Acta Crystallographica, Section B' volume of publication is 64
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2104097 | CIF HKL Paper | C21 H28 N2 O | P 1 21/c 1 | 16.8519; 8.0488; 14.306 90; 104.639; 90 | 1877.44 | Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla Conformations of substituted benzophenones Acta Crystallographica Section B, 2008, 64, 206-216 |
| 2104098 | CIF HKL Paper | C13 H10 O3 | C 1 2/c 1 | 24.4619; 7.3737; 12.3961 90; 115.019; 90 | 2026.14 | Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla Conformations of substituted benzophenones Acta Crystallographica Section B, 2008, 64, 206-216 |
| 2104099 | CIF HKL Paper | C13 H10 O2 | P 1 21/n 1 | 4.0462; 20.2165; 11.8058 90; 90.929; 90 | 965.59 | Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla Conformations of substituted benzophenones Acta Crystallographica Section B, 2008, 64, 206-216 |
| 2104100 | CIF HKL Paper | C13 H9 Cl O2 | P c a 21 | 23.3058; 5.577; 8.2847 90; 90; 90 | 1076.82 | Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla Conformations of substituted benzophenones Acta Crystallographica Section B, 2008, 64, 206-216 |
| 2104101 | CIF HKL Paper | C13 H9 Cl2 N O | P 1 21/c 1 | 7.8897; 9.5581; 16.1101 90; 96.416; 90 | 1207.26 | Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla Conformations of substituted benzophenones Acta Crystallographica Section B, 2008, 64, 206-216 |
| 2104102 | CIF HKL Paper | C32 H24 | P 1 21/c 1 | 10.266; 12.773; 8.4459 90; 112.86; 90 | 1020.5 | Trzop, Elżbieta; Turowska-Tyrk, Ilona Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal Acta Crystallographica Section B, 2008, 64, 375-382 |
| 2104103 | CIF HKL Paper | C32 H24 | P 1 21/c 1 | 10.274; 12.774; 8.446 90; 112.99; 90 | 1020.4 | Trzop, Elżbieta; Turowska-Tyrk, Ilona Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal Acta Crystallographica Section B, 2008, 64, 375-382 |
| 2104104 | CIF HKL Paper | C32 H24 | P 1 21/c 1 | 10.285; 12.791; 8.4484 90; 113.05; 90 | 1022.7 | Trzop, Elżbieta; Turowska-Tyrk, Ilona Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal Acta Crystallographica Section B, 2008, 64, 375-382 |
| 2104105 | CIF HKL Paper | C32 H24 | P 1 21/c 1 | 10.2848; 12.8104; 8.4443 90; 113.05; 90 | 1023.7 | Trzop, Elżbieta; Turowska-Tyrk, Ilona Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal Acta Crystallographica Section B, 2008, 64, 375-382 |
| 2104106 | CIF HKL Paper | C32 H24 | P 1 21/c 1 | 10.2834; 12.8132; 8.4441 90; 112.961; 90 | 1024.5 | Trzop, Elżbieta; Turowska-Tyrk, Ilona Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal Acta Crystallographica Section B, 2008, 64, 375-382 |
| 2104107 | CIF HKL Paper | C32 H24 | P 1 21/c 1 | 10.2742; 12.8086; 8.45 90; 112.999; 90 | 1023.6 | Trzop, Elżbieta; Turowska-Tyrk, Ilona Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal Acta Crystallographica Section B, 2008, 64, 375-382 |
| 2104108 | CIF HKL Paper | C32 H24 | P 1 21/c 1 | 10.264; 12.8929; 8.4043 90; 112.34; 90 | 1028.7 | Trzop, Elżbieta; Turowska-Tyrk, Ilona Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal Acta Crystallographica Section B, 2008, 64, 375-382 |
| 2104109 | CIF HKL Paper | C32 H24 | P 1 21/c 1 | 10.263; 12.903; 8.397 90; 112.26; 90 | 1029.1 | Trzop, Elżbieta; Turowska-Tyrk, Ilona Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal Acta Crystallographica Section B, 2008, 64, 375-382 |
| 2104110 | CIF HKL Paper | C32 H24 | P 1 21/c 1 | 10.1383; 12.9555; 8.411 90; 111.894; 90 | 1025.1 | Trzop, Elżbieta; Turowska-Tyrk, Ilona Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal Acta Crystallographica Section B, 2008, 64, 375-382 |
| 2104111 | CIF HKL Paper | C32 H24 | P 1 21/c 1 | 9.961; 12.976; 8.504 90; 111.86; 90 | 1020.1 | Trzop, Elżbieta; Turowska-Tyrk, Ilona Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal Acta Crystallographica Section B, 2008, 64, 375-382 |
| 2104112 | CIF HKL Paper | C32 H24 | P 1 21/c 1 | 9.8457; 12.9974; 8.5319 90; 111.891; 90 | 1013.1 | Trzop, Elżbieta; Turowska-Tyrk, Ilona Monitoring structural transformations in crystals. 12. Course of an intramolecular [4+4] photocycloaddition in a crystal Acta Crystallographica Section B, 2008, 64, 375-382 |
| 2104113 | CIF HKL Paper | C66 H92 N2 O8 | P 1 | 12.8559; 13.5462; 17.4215 75.39; 83.254; 82.771 | 2900.9 | Rychlewska, Urszula; Warżajtis, Beata; Joachimiak, Roman; Paryzek, Zdzisław Synthesis and structural characteristics of lithocholate triads: steroid-type channels occupied by spacer fragments Acta Crystallographica Section B, 2008, 64, 383-392 |
| 2104114 | CIF Paper | C66 H92 N2 O8 | P 1 | 6.8044; 12.887; 17.0661 94.431; 97.935; 97.341 | 1463.14 | Rychlewska, Urszula; Warżajtis, Beata; Joachimiak, Roman; Paryzek, Zdzisław Synthesis and structural characteristics of lithocholate triads: steroid-type channels occupied by spacer fragments Acta Crystallographica Section B, 2008, 64, 383-392 |
| 2104115 | CIF HKL Paper | C58 H86 O8 | C 1 2 1 | 31.731; 7.727; 11.017 90; 106.28; 90 | 2592.9 | Rychlewska, Urszula; Warżajtis, Beata; Joachimiak, Roman; Paryzek, Zdzisław Synthesis and structural characteristics of lithocholate triads: steroid-type channels occupied by spacer fragments Acta Crystallographica Section B, 2008, 64, 383-392 |
| 2104116 | CIF Paper | C56.5 H92 N2 O8.5 | P 1 | 7.7755; 9.8697; 17.754 103.04; 101.086; 90.463 | 1300.7 | Rychlewska, Urszula; Warżajtis, Beata; Joachimiak, Roman; Paryzek, Zdzisław Synthesis and structural characteristics of lithocholate triads: steroid-type channels occupied by spacer fragments Acta Crystallographica Section B, 2008, 64, 383-392 |
| 2104117 | CIF Paper | C25 H16 Br Cu N5 O | P -1 | 8.9141; 10.448; 12.291 78.688; 81.562; 72.798 | 1067.4 | Youngme, Sujittra; Phuengphai, Pongthipun; Pakawatchai, Chaveng; Kongsaeree, Palangpon; Chaichit, Narongsak Five-coordinate copper(II) complexes: crystal structures, spectroscopic properties and new extended structural pathways of [Cu(chelate)~2~<i>X</i>]<i>Y</i>, where chelate = dpyam, phen and bipy; <i>X</i> = pseudohalide ligands Acta Crystallographica Section B, 2008, 64, 318-329 |
| 2104118 | CIF Paper | C48 H36 B Cu N7 O | P -1 | 10.2373; 11.3628; 19.1037 86.697; 75.884; 67.744 | 1993.07 | Youngme, Sujittra; Phuengphai, Pongthipun; Pakawatchai, Chaveng; Kongsaeree, Palangpon; Chaichit, Narongsak Five-coordinate copper(II) complexes: crystal structures, spectroscopic properties and new extended structural pathways of [Cu(chelate)~2~<i>X</i>]<i>Y</i>, where chelate = dpyam, phen and bipy; <i>X</i> = pseudohalide ligands Acta Crystallographica Section B, 2008, 64, 318-329 |
| 2104119 | CIF Paper | C20 H20 Cu N10 O4 | P -1 | 7.7515; 9.916; 15.275 100.01; 103.347; 99.527 | 1098.78 | Youngme, Sujittra; Phuengphai, Pongthipun; Pakawatchai, Chaveng; Kongsaeree, Palangpon; Chaichit, Narongsak Five-coordinate copper(II) complexes: crystal structures, spectroscopic properties and new extended structural pathways of [Cu(chelate)~2~<i>X</i>]<i>Y</i>, where chelate = dpyam, phen and bipy; <i>X</i> = pseudohalide ligands Acta Crystallographica Section B, 2008, 64, 318-329 |
| 2104120 | CIF Paper | C20 H18 Cl Cu N9 O4 | P 1 21/c 1 | 13.436; 8.388; 22.575 90; 118.147; 90 | 2243.35 | Youngme, Sujittra; Phuengphai, Pongthipun; Pakawatchai, Chaveng; Kongsaeree, Palangpon; Chaichit, Narongsak Five-coordinate copper(II) complexes: crystal structures, spectroscopic properties and new extended structural pathways of [Cu(chelate)~2~<i>X</i>]<i>Y</i>, where chelate = dpyam, phen and bipy; <i>X</i> = pseudohalide ligands Acta Crystallographica Section B, 2008, 64, 318-329 |
| 2104121 | CIF Paper | Cr La O3 | P b n m | 5.5133; 5.4759; 7.7585 90; 90; 90 | 234.23 | Yang, J. Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data Acta Crystallographica Section B, 2008, 64, 281-286 |
| 2104122 | CIF Paper | Cr2 O3 | R -3 c | 4.958; 4.958; 13.59 90; 90; 120 | 289.3 | Yang, J. Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data Acta Crystallographica Section B, 2008, 64, 281-286 |
| 2104123 | CIF Paper | Cr0.7 La Ni0.3 O3 | P b n m | 5.5094; 5.474; 7.7536 90; 90; 90 | 233.84 | Yang, J. Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data Acta Crystallographica Section B, 2008, 64, 281-286 |
| 2104124 | CIF Paper | Cr0.4 La Ni0.6 O3 | P b n m | 5.518; 5.4735; 7.7529 90; 90; 90 | 234.16 | Yang, J. Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data Acta Crystallographica Section B, 2008, 64, 281-286 |
| 2104125 | CIF Paper | Cr0.3 La Ni0.7 O3 | P b n m | 5.5032; 5.4612; 7.7407 90; 90; 90 | 232.64 | Yang, J. Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data Acta Crystallographica Section B, 2008, 64, 281-286 |
| 2104126 | CIF Paper | Cr0.3 La Ni0.7 O3 | R -3 c | 5.4831; 5.4831; 13.2091 90; 90; 120 | 343.919 | Yang, J. Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data Acta Crystallographica Section B, 2008, 64, 281-286 |
| 2104127 | CIF Paper | Cr0.2 La Ni0.8 O3 | R -3 c | 5.4809; 5.4809; 13.207 90; 90; 120 | 343.59 | Yang, J. Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data Acta Crystallographica Section B, 2008, 64, 281-286 |
| 2104128 | CIF Paper | Cr0.1 La Ni0.9 O3 | R -3 c | 5.4747; 5.4747; 13.199 90; 90; 120 | 342.6 | Yang, J. Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data Acta Crystallographica Section B, 2008, 64, 281-286 |
| 2104129 | CIF Paper | La Ni O3 | R -3 c | 5.4561; 5.4561; 13.1432 90; 90; 120 | 338.841 | Yang, J. Structural analysis of perovskite LaCr~1{-~<i>x</i>}Ni~<i>x~</i>O~3~ by Rietveld refinement of X-ray powder diffraction data Acta Crystallographica Section B, 2008, 64, 281-286 |
| 2104130 | CIF HKL Paper | F3 H12 Mo N3 O3 | F m -3 m | 9.1295; 9.1295; 9.1295 90; 90; 90 | 760.92 | Udovenko, A. A.; Laptash, N. M. Orientational disorder in crystals of (NH~4~)~3~MoO~3~F~3~ and (NH~4~)~3~WO~3~F~3~ Acta Crystallographica Section B, 2008, 64, 305-311 |
| 2104131 | CIF HKL Paper | F3 H12 N3 O3 W | F m -3 m | 9.1563; 9.1563; 9.1563 90; 90; 90 | 767.64 | Udovenko, A. A.; Laptash, N. M. Orientational disorder in crystals of (NH~4~)~3~MoO~3~F~3~ and (NH~4~)~3~WO~3~F~3~ Acta Crystallographica Section B, 2008, 64, 305-311 |
| 2104132 | CIF HKL Paper | C2 H4 O | P 1 21/n 1 | 4.633; 8.4; 6.577 90; 100.37; 90 | 251.8 | Grabowsky, Simon; Weber, Manuela; Buschmann, Jürgen; Luger, Peter Experimental electron density study of ethylene oxide at 100K Acta Crystallographica Section B, 2008, 64, 397-400 |
| 2104133 | CIF Paper | Er2 Ge3.188 | X2/m(\a0\g)0s | 3.9208; 6.7547; 4.0945 90; 89.811; 90 | 108.437 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
| 2104134 | CIF Paper | Er2 Ge3.188 | X2/m(\a0\g)0s | 3.9206; 6.7543; 4.09383 90; 89.813; 90 | 108.408 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
| 2104135 | CIF Paper | Er2 Ge3.186 | X2/m(\a0\g)0s | 3.9203; 6.7532; 4.09406 90; 89.813; 90 | 108.388 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
| 2104136 | CIF Paper | Er2 Ge3.182 | X2/m(\a0\g)0s | 3.9198; 6.7518; 4.0941 90; 89.813; 90 | 108.353 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
| 2104137 | CIF Paper | Er2 Ge3.171 | X2/m(\a0\g)0s | 3.9183; 6.7475; 4.0932 90; 89.813; 90 | 108.218 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
| 2104138 | CIF Paper | Er2 Ge3.14 | X2/m(\a0\g)0s | 3.9142; 6.7363; 4.0917 90; 89.81; 90 | 107.886 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
| 2104139 | CIF Paper | Er2 Ge3.125 | X2/m(\a0\g)0s | 3.9117; 6.7296; 4.09129 90; 89.805; 90 | 107.699 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
| 2104140 | CIF Paper | Er2 Ge3.122 | X2/m(\a0\g)0s | 3.9113; 6.729; 4.0912 90; 89.805; 90 | 107.676 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
| 2104141 | CIF Paper | Er2 Ge3 | X2/m(\a0\g)0s | 3.8901; 6.6544; 4.098 90; 89.74; 90 | 106.08 | Christensen, Jeppe; Lidin, Sven; Malaman, Bernard; Venturini, Gerard Vacancy-ordering effects in AlB~2~-type ErGe~2 {-~ <i>x</i>} (0.4 < <i>x</i> {łeq} 0.5) Acta Crystallographica Section B, 2008, 64, 272-280 |
| 2104142 | CIF Paper | O9.84 S4 Sm4 Ti4 | I 4/m m m | 3.82123; 3.82123; 22.96371 90; 90; 90 | 335.311 | Yashima, Masatomo; Ogisu, Kiyonori; Domen, Kazunari Structure and electron density of oxysulfide Sm~2~Ti~2~S~2~O~4.9~, a visible-light-responsive photocatalyst Acta Crystallographica Section B, 2008, 64, 291-298 |
| 2104143 | CIF Paper | C10 H14 N2 O5 | P 21 21 21 | 4.8462; 13.901; 16.316 90; 90; 90 | 1099.2 | Hübschle, Christian B.; Dittrich, Birger; Grabowsky, Simon; Messerschmidt, Marc; Luger, Peter Comparative experimental electron density and electron localization function study of thymidine based on 20K X-ray diffraction data Acta Crystallographica Section B, 2008, 64, 363-374 |
| 2104144 | CIF Paper | Ca1.17 Co0.83 Ge O4 | P n m a | 11.3021; 6.4657; 5.0435 90; 90; 90 | 368.56 | Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn) Acta Crystallographica Section B, 2008, 64, 261-271 |
| 2104145 | CIF HKL Paper | Ca2 Ge O4 | P n m a | 11.3919; 6.78; 5.2424 90; 90; 90 | 404.91 | Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn) Acta Crystallographica Section B, 2008, 64, 261-271 |
| 2104146 | CIF HKL Paper | Ca2 Ge O4 | P n m a | 11.3919; 6.78; 5.2424 90; 90; 90 | 404.91 | Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn) Acta Crystallographica Section B, 2008, 64, 261-271 |
| 2104147 | CIF HKL Paper | Ca1.14 Ge Mn0.86 O4 | P n m a | 11.326; 6.5604; 5.1069 90; 90; 90 | 379.46 | Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn) Acta Crystallographica Section B, 2008, 64, 261-271 |
| 2104148 | CIF HKL Paper | Ca1.17 Ge Mn0.83 O4 | P n m a | 11.3256; 6.5643; 5.1098 90; 90; 90 | 379.89 | Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn) Acta Crystallographica Section B, 2008, 64, 261-271 |
| 2104149 | CIF HKL Paper | Ca1.16 Ge Mg0.83 O4 | P n m a | 11.2916; 6.4405; 5.0251 90; 90; 90 | 365.44 | Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn) Acta Crystallographica Section B, 2008, 64, 261-271 |
| 2104150 | CIF HKL Paper | Ca1.11 Co0.89 Ge O4 | P n m a | 11.2923; 6.4369; 5.0246 90; 90; 90 | 365.23 | Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn) Acta Crystallographica Section B, 2008, 64, 261-271 |
| 2104151 | CIF HKL Paper | Ca1.11 Co0.89 Ge O4 | P n m a | 11.2873; 6.4369; 5.0245 90; 90; 90 | 365.06 | Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn) Acta Crystallographica Section B, 2008, 64, 261-271 |
| 2104152 | CIF HKL Paper | Ca1.31 Ge Mn0.69 O4 | P n m a | 11.3391; 6.6035; 5.1326 90; 90; 90 | 384.32 | Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn) Acta Crystallographica Section B, 2008, 64, 261-271 |
| 2104153 | CIF HKL Paper | Ca1.07 Ge Mg0.93 O4 | P n m a | 11.2882; 6.4309; 5.0223 90; 90; 90 | 364.59 | Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn) Acta Crystallographica Section B, 2008, 64, 261-271 |
| 2104154 | CIF HKL Paper | Ca2 Ge O4 | P n m a | 11.3923; 6.7854; 5.2388 90; 90; 90 | 404.97 | Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn) Acta Crystallographica Section B, 2008, 64, 261-271 |
| 2104155 | CIF Paper | D4 Ge | P 21 21 21 | 7.35565; 8.15934; 4.53932 90; 90; 90 | 272.437 | Maley, Iain J.; Brown, Daniel H.; Ibberson, Richard M.; Pulham, Colin R. Solid-state structures of the covalent hydrides germane and stannane Acta Crystallographica Section B, 2008, 64, 312-317 |
| 2104156 | CIF Paper | D4 Sn | C 1 2/c 1 | 8.87431; 4.54743; 8.75705 90; 119.288; 90 | 308.219 | Maley, Iain J.; Brown, Daniel H.; Ibberson, Richard M.; Pulham, Colin R. Solid-state structures of the covalent hydrides germane and stannane Acta Crystallographica Section B, 2008, 64, 312-317 |
| 2104157 | CIF Paper | C48 H72 O20 Si16 | I 41 | 21.1698; 21.1698; 16.059 90; 90; 90 | 7197 | Slebodnick, Carla; Angel, Ross J.; Hanson, Brian E.; Agaskar, Pradyot A.; Soler, Tatiana; Falvello, Larry R. Disorder and pseudo-symmetry in octakis(trivinylsilyl)octasilicate Acta Crystallographica Section B, 2008, 64, 330-337 |
| 2104158 | CIF HKL Paper | C48 H72 O20 Si16 | I 4 | 15.004; 15.004; 7.9872 90; 90; 90 | 1798.08 | Slebodnick, Carla; Angel, Ross J.; Hanson, Brian E.; Agaskar, Pradyot A.; Soler, Tatiana; Falvello, Larry R. Disorder and pseudo-symmetry in octakis(trivinylsilyl)octasilicate Acta Crystallographica Section B, 2008, 64, 330-337 |
| 2104159 | CIF Paper | C5 H10 N2 O3 | P 21 21 21 | 16.023; 7.7678; 5.1004 90; 90; 90 | 634.8 | Lozano-Casal, P.; Allan, D. R.; Parsons, S. High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa Acta Crystallographica Section B, 2008, 64, 466-475 |
| 2104160 | CIF Paper | C5 H10 N2 O3 | P 21 21 21 | 15.992; 7.7558; 5.0941 90; 90; 90 | 631.83 | Lozano-Casal, P.; Allan, D. R.; Parsons, S. High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa Acta Crystallographica Section B, 2008, 64, 466-475 |
| 2104161 | CIF Paper | C5 H10 N2 O3 | P 21 21 21 | 15.879; 7.705; 5.084 90; 90; 90 | 622 | Lozano-Casal, P.; Allan, D. R.; Parsons, S. High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa Acta Crystallographica Section B, 2008, 64, 466-475 |
| 2104162 | CIF Paper | C5 H10 N2 O3 | P 21 21 21 | 15.679; 7.628; 5.023 90; 90; 90 | 600.7 | Lozano-Casal, P.; Allan, D. R.; Parsons, S. High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa Acta Crystallographica Section B, 2008, 64, 466-475 |
| 2104163 | CIF Paper | C5 H10 N2 O3 | P 21 21 21 | 15.45; 7.55; 4.972 90; 90; 90 | 580 | Lozano-Casal, P.; Allan, D. R.; Parsons, S. High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa Acta Crystallographica Section B, 2008, 64, 466-475 |
| 2104164 | CIF Paper | C5 H10 N2 O3 | P 21 21 21 | 15.328; 7.497; 4.941 90; 90; 90 | 567.8 | Lozano-Casal, P.; Allan, D. R.; Parsons, S. High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa Acta Crystallographica Section B, 2008, 64, 466-475 |
| 2104165 | CIF Paper | C5 H10 N2 O3 | P 21 21 21 | 15.191; 7.455; 4.882 90; 90; 90 | 552.9 | Lozano-Casal, P.; Allan, D. R.; Parsons, S. High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa Acta Crystallographica Section B, 2008, 64, 466-475 |
| 2104166 | CIF HKL Paper | C4 H4 N2 O2 | P b c a | 7.2155; 6.2725; 10.828 90; 90; 90 | 490.07 | Rychlewska, Urszula; Waścinska, Natalia; Warżajtis, Beata; Gawroński, Jacek Role of the <i>gauche</i> effect and local 1,3-dipole‒dipole interactions in stabilizing an unusual conformation of tartarodinitriles Acta Crystallographica Section B, 2008, 64, 497-503 |
| 2104167 | CIF HKL Paper | C8 H8 N2 O4 | P b c a | 12.451; 8.5089; 18.0764 90; 90; 90 | 1915.09 | Rychlewska, Urszula; Waścinska, Natalia; Warżajtis, Beata; Gawroński, Jacek Role of the <i>gauche</i> effect and local 1,3-dipole‒dipole interactions in stabilizing an unusual conformation of tartarodinitriles Acta Crystallographica Section B, 2008, 64, 497-503 |
| 2104168 | CIF HKL Paper | C18 H12 N2 O4 | P -1 | 5.784; 7.3241; 10.229 106.26; 105.3; 96.55 | 392.9 | Rychlewska, Urszula; Waścinska, Natalia; Warżajtis, Beata; Gawroński, Jacek Role of the <i>gauche</i> effect and local 1,3-dipole‒dipole interactions in stabilizing an unusual conformation of tartarodinitriles Acta Crystallographica Section B, 2008, 64, 497-503 |
| 2104169 | CIF HKL Paper | C8 H8 N2 O4 | P 21 21 21 | 8.6112; 9.8185; 11.7898 90; 90; 90 | 996.82 | Rychlewska, Urszula; Waścinska, Natalia; Warżajtis, Beata; Gawroński, Jacek Role of the <i>gauche</i> effect and local 1,3-dipole‒dipole interactions in stabilizing an unusual conformation of tartarodinitriles Acta Crystallographica Section B, 2008, 64, 497-503 |
| 2104170 | CIF Paper | Al0.256 In1.044 O3.35 Ti0.7 | C2/m(0\b0)s0 | 5.857; 3.361; 6.355 90; 107.96; 90 | 119 | Bereciartua, P. J.; Zuñiga, F. J.; Breczewski, T. Incommensurate structure of InAl~1{-~<i>x</i>}Ti~<i>x~</i>O~3+<i>x~/2</i> [<i>x</i> = 0.701(1)]: comparison between modulated and composite models Acta Crystallographica Section B, 2008, 64, 405-416 |
| 2104171 | CIF HKL Paper | Al0.253 In1.046 O3.35 Ti0.701 | C2/m(0\b0)s0 | 5.857; 3.361; 6.355 90; 107.96; 90 | 119 | Bereciartua, P. J.; Zuñiga, F. J.; Breczewski, T. Incommensurate structure of InAl~1{-~<i>x</i>}Ti~<i>x~</i>O~3+<i>x~/2</i> [<i>x</i> = 0.701(1)]: comparison between modulated and composite models Acta Crystallographica Section B, 2008, 64, 405-416 |
| 2104172 | CIF HKL Paper | C16 H33 F3 N2 O5 Si0.5 | P -1 | 11.554; 12.621; 22.763 83.87; 84.81; 63.86 | 2959.3 | Thaimattam, Ram; Szafran, Miroslaw; Dega-Szafran, Zofia; Jaskolski, Mariusz Conformational richness and multiple <i>Z</i>' in salt co-crystal of <i>N</i>-methylpiperidine betaine with <i>N</i>-methylpiperidine betaine hexafluorosilicate Acta Crystallographica Section B, 2008, 64, 483-490 |
| 2104173 | CIF HKL Paper | Al2 Ca2 O5 | Imma(00\g)s00 | 5.2699; 14.6984; 5.4196 90; 90; 90 | 419.8 | Lazic, Biljana; Krüger, Hannes; Kahlenberg, Volker; Konzett, Jürgen; Kaindl, Reinhard Incommensurate structure of Ca~2~Al~2~O~5~ at high temperatures ‒ structure investigation and Raman spectroscopy Acta Crystallographica Section B, 2008, 64, 417-425 |
| 2104174 | CIF HKL Paper | C3 H9 N O | C 1 c 1 | 5.932; 8.259; 8.598 90; 93.64; 90 | 420.4 | Gajda, Roman; Katrusiak, Andrzej Pressure-freezing with conformational conversion of 3-aminopropan-1-ol molecules Acta Crystallographica Section B, 2008, 64, 476-482 |
| 2104175 | CIF HKL Paper | C3 H9 N O | C 1 c 1 | 5.853; 8.123; 8.428 90; 91.99; 90 | 400.5 | Gajda, Roman; Katrusiak, Andrzej Pressure-freezing with conformational conversion of 3-aminopropan-1-ol molecules Acta Crystallographica Section B, 2008, 64, 476-482 |
| 2104176 | CIF HKL Paper | C3 H9 N O | C 1 c 1 | 5.8288; 8.052; 8.343 90; 91.67; 90 | 391.4 | Gajda, Roman; Katrusiak, Andrzej Pressure-freezing with conformational conversion of 3-aminopropan-1-ol molecules Acta Crystallographica Section B, 2008, 64, 476-482 |
| 2104177 | CIF HKL Paper | C18 H36 O6 | P 1 21/c 1 | 6.453; 11.678; 13.396 90; 101.378; 90 | 989.7 | Loehlin, James H.; Lee, Michelle; Woo, Christina M. Hydrogen-bond patterns and the structures of 1,4-cyclohexanediol: 2:1 <i>cis</i>:<i>trans</i>-1,4-cyclohexanediol Acta Crystallographica Section B, 2008, 64, 583-588 |
| 2104178 | CIF HKL Paper | C18 H36 O6 | P 1 21/c 1 | 6.5263; 11.527; 14.2082 90; 100.123; 90 | 1052.22 | Loehlin, James H.; Lee, Michelle; Woo, Christina M. Hydrogen-bond patterns and the structures of 1,4-cyclohexanediol: 2:1 <i>cis</i>:<i>trans</i>-1,4-cyclohexanediol Acta Crystallographica Section B, 2008, 64, 583-588 |
| 2104179 | CIF Paper | C12 H12 N6 | P 1 21/n 1 | 10.6661; 7.7279; 14.359 90; 100.071; 90 | 1165.3 | Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions Acta Crystallographica Section B, 2008, 64, 610-622 |
| 2104180 | CIF Paper | C12 H18 N6 | P 1 21/n 1 | 11.2407; 7.3654; 15.8178 90; 106.005; 90 | 1258.83 | Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions Acta Crystallographica Section B, 2008, 64, 610-622 |
| 2104181 | CIF Paper | C11 H9 Cl N6 | P 1 21/c 1 | 11.196; 8.504; 13.3815 90; 120.674; 90 | 1095.8 | Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions Acta Crystallographica Section B, 2008, 64, 610-622 |
| 2104182 | CIF Paper | C11 H17 N7 O | P b c a | 7.0297; 13.859; 25.766 90; 90; 90 | 2510.2 | Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions Acta Crystallographica Section B, 2008, 64, 610-622 |
| 2104183 | CIF Paper | C13 H16 N6 O | P b c a | 16.5577; 8.6833; 18.464 90; 90; 90 | 2654.7 | Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions Acta Crystallographica Section B, 2008, 64, 610-622 |
| 2104184 | CIF Paper | C13 H15 N6 O0.5 | C 1 2/c 1 | 17.642; 18.278; 8.3034 90; 103.512; 90 | 2603.4 | Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions Acta Crystallographica Section B, 2008, 64, 610-622 |
| 2104185 | CIF Paper | C13 H15 N6 O1.5 | P -1 | 8.9516; 12.0627; 12.9053 91.612; 92.065; 95.259 | 1386.06 | Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions Acta Crystallographica Section B, 2008, 64, 610-622 |
| 2104186 | CIF Paper | C18 H18 N6 O | P 1 21/n 1 | 10.188; 9.5136; 33.695 90; 93.131; 90 | 3261 | Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions Acta Crystallographica Section B, 2008, 64, 610-622 |
| 2104187 | CIF Paper | C20 H32 N12 O2 | P -1 | 7.9342; 8.9219; 16.767 76.855; 83.505; 88.003 | 1148.3 | Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions Acta Crystallographica Section B, 2008, 64, 610-622 |
| 2104188 | CIF Paper | C11 H15 Cl N4 O | P -1 | 5.907; 10.398; 10.801 110.86; 94.19; 96 | 612.2 | Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher <i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions Acta Crystallographica Section B, 2008, 64, 596-609 |
| 2104189 | CIF Paper | C9 H13 Cl N4 O | P 1 21/n 1 | 11.328; 8.081; 11.3849 90; 98.709; 90 | 1030.2 | Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher <i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions Acta Crystallographica Section B, 2008, 64, 596-609 |
| 2104190 | CIF Paper | C9 H11 Cl N4 O2 | P 1 21/c 1 | 7.354; 8.291; 17.276 90; 97.962; 90 | 1043.2 | Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher <i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions Acta Crystallographica Section B, 2008, 64, 596-609 |
| 2104191 | CIF Paper | C12 H17 Cl N4 O | P -1 | 8.5722; 8.7195; 8.7681 82.598; 82.701; 88.645 | 644.63 | Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher <i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions Acta Crystallographica Section B, 2008, 64, 596-609 |
| 2104192 | CIF Paper | C14 H15 Cl N4 O | P -1 | 7.9897; 8.0922; 11.2786 91.602; 107.22; 91.776 | 695.66 | Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher <i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions Acta Crystallographica Section B, 2008, 64, 596-609 |
| 2104193 | CIF Paper | C13 H13 Cl N4 O | P -1 | 8.1811; 8.8325; 9.3356 81.844; 82.015; 73.041 | 635.33 | Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher <i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions Acta Crystallographica Section B, 2008, 64, 596-609 |
| 2104194 | CIF Paper | C12 H11 Cl N4 O | P -1 | 7.0568; 8.211; 10.565 84.59; 82.363; 78.687 | 593.5 | Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher <i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions Acta Crystallographica Section B, 2008, 64, 596-609 |
| 2104195 | CIF Paper | C12 H11 Cl N4 O | P -1 | 6.9938; 7.9544; 10.7507 81.191; 82.469; 87.333 | 585.71 | Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher <i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions Acta Crystallographica Section B, 2008, 64, 596-609 |
| 2104196 | CIF Paper | C18 H15 Cl N4 O | P -1 | 6.552; 11.1012; 11.4111 79.958; 84.802; 77.009 | 795.21 | Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher <i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions Acta Crystallographica Section B, 2008, 64, 596-609 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!