Crystallography Open Database
Search results
Result: there are 10612 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
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
2310740 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8394; 5.2244; 5.5468 90; 90; 89.997 | 227.18 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2310741 | CIF Paper | Fe0.615 La3.333 O11.333 Ti2.718 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8422; 5.2254; 5.5484 90; 90; 89.998 | 227.37 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2310742 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.821; 5.2697; 5.5468 90; 90; 90.02 | 228.61 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2310743 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8248; 5.2721; 5.5483 90; 90; 90.007 | 228.88 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2310744 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8267; 5.2714; 5.5503 90; 90; 90.019 | 228.99 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2310745 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8302; 5.2737; 5.5518 90; 90; 90.001 | 229.26 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2310746 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8367; 5.2775; 5.5561 90; 90; 90.044 | 229.79 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2310747 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8339; 5.2752; 5.552 90; 90; 89.99 | 229.44 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2310748 | CIF Paper | Fe0.571 La3.429 O11.429 Ti2.858 | P 1 21/c 1 (2*c,2*a+c,b) | 7.8379; 5.2768; 5.5545 90; 90; 89.996 | 229.73 | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2013, 69, 137-144 |
2310756 | CIF | F Mg2 O4 P | P 1 21/n 1 | 12.7628; 12.6564; 9.6348 90; 117.6; 90 | 1379.22 | Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258 |
2310757 | CIF | F Fe1.078 Mg0.922 O4 P | C 1 2/c 1 | 13.0183; 6.4149; 9.8411 90; 118.562; 90 | 721.823 | Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258 |
2310758 | CIF | F Fe0.649 Mg1.351 O4 P | C 1 2/c 1 | 12.884; 6.3889; 9.7384 90; 117.799; 90 | 709.098 | Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258 |
2310759 | CIF | F Fe0.185 Mg1.815 O4 P | C 1 2/c 1 | 12.7978; 6.3523; 9.6642 90; 117.567; 90 | 696.46 | Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258 |
2310760 | CIF | F Fe0.029 Mg1.971 O4 P | C 1 2/c 1 | 12.7707; 6.3394; 9.6462 90; 117.524; 90 | 692.553 | Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258 |
2310761 | CIF | F Fe0 Mg2 O4 P | C 1 2/c 1 | 12.7633; 6.3282; 9.635 90; 117.599; 90 | 689.66 | Lazic, Biljana; Armbruster, Thomas; Chopin, Christian; Grew, Edward S.; Baronnet, Alain; Palatinus, Lukas Superspace description of wagnerite-group minerals (Mg,Fe,Mn)2(PO4)(F,OH) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 243-258 |
2310762 | CIF Paper | Ba0.761 Ca0.239 Nb2 O6 | C m m 2 (2*c,a,b) | 7.9429; 17.624; 17.6229 90; 90; 90 | 2466.95 | Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 743-749 |
2310763 | CIF Paper | Ba0.761 Ca0.239 Nb2 O6 | P 4 b m (a,b,2*c) | 12.4476; 12.4476; 7.9291 90; 90; 90 | 1228.56 | Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 743-749 |
2310764 | CIF Paper | Ba0.693 Ca0.307 Nb2 O6 | P 4 b m (a,b,2*c) | 12.4608; 12.4608; 7.9185 90; 90; 90 | 1229.52 | Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 743-749 |
2310765 | CIF Paper | C17 H22 F N O2 | P 1 21/n 1 | 10.8498; 6.5247; 21.3826 90; 98.246; 90 | 1498.06 | Schönleber, Andreas; van Smaalen, Sander; Weiss, Hans Christoph; Kesel, Andreas J. N-H...O and C-H...F hydrogen bonds in the incommensurately modulated crystal structure of adamantan-1-ammonium 4-fluorobenzoate. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 652-659 |
2310766 | CIF Paper | C18 H10 Cl2 N2 O4 | P 1 21 1 | 12.372; 3.7649; 16.831 90; 107.789; 90 | 746.49 | Noohinejad, Leila; Mondal, Swastik; Ali, Sk Imran; Dey, Somnath; van Smaalen, Sander; Schönleber, Andreas Resonance-stabilized partial proton transfer in hydrogen bonds of incommensurate phenazine-chloranilic acid Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 228-234 |
2310767 | CIF Paper | B3.041 O10.479 Si0.959 Sr4 | P n m a | 12.2774; 3.9006; 5.4091 90; 90; 90 | 259.038 | Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 489-497 |
2310768 | CIF Paper | B3.376 O10.312 Si0.624 Sr4 | P n m a | 12.178; 3.8801; 5.387 90; 90; 90 | 254.55 | Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 489-497 |
2310769 | CIF Paper | B3.704 O10.148 Si0.296 Sr4 | P n m a | 12.089; 3.8635; 5.378 90; 90; 90 | 251.184 | Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 489-497 |
2310770 | CIF Paper | Cu3 Sn | C m c m | 5.521; 47.781; 4.334 90; 90; 90 | 1143.3 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
2310771 | CIF Paper | Cu3 Sn | C m c m | 5.5185; 47.768; 4.332 90; 90; 90 | 1141.95 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
2310772 | CIF Paper | Cu3 Sn | C m c m | 5.5196; 38.2386; 4.3321 90; 90; 90 | 914.34 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
2310773 | CIF Paper | Cu3 Sn | C m c m | 5.5184; 38.2337; 4.3326 90; 90; 90 | 914.13 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
2310774 | CIF Paper | Cu3 Sn | C m c m | 5.5199; 47.7904; 4.3326 90; 90; 90 | 1142.93 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
2310775 | CIF Paper | Cu3.048 Sn0.952 | P m m a (2*b+1/4,c,a-1/3) | 5.528; 4.783; 4.3391 90; 90; 90 | 114.73 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
2310776 | CIF Paper | Cu3.027 Sn0.973 | P m m a (2*b+1/4,c,a-1/3) | 5.525; 4.781; 4.3385 90; 90; 90 | 114.6 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
2310777 | CIF Paper | Cu3.031 Sn0.969 | P m m a (2*b+1/4,c,a-1/3) | 5.529; 4.787; 4.3381 90; 90; 90 | 114.82 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
2310778 | CIF Paper | Cu3.022 Sn0.978 | P m m a (2*b+1/4,c,a-1/3) | 5.523; 4.783; 4.336 90; 90; 90 | 114.54 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
2310779 | CIF Paper | Cu3.013 Sn0.987 | P m m a (2*b,c,a) | 5.529; 4.788; 4.3411 90; 90; 90 | 114.92 | Müller, Carola J; Lidin, Sven Cu~3~Sn - understanding the systematic absences. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 879-887 |
2310780 | CIF Paper | Bi0.097 Fe1.049 O2.585 Pb0.856 | I 1 2/m 1 | 3.93492; 3.93193; 4.00171 90; 92.603; 90 | 61.85 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2310781 | CIF Paper | Bi0.195 Fe1.046 O2.633 Pb0.763 | I 1 2/m 1 | 3.92822; 3.92661; 4.05202 90; 92.209; 90 | 62.454 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2310782 | CIF Paper | Bi0.292 Fe1.042 O2.675 Pb0.671 | I 1 2/m 1 | 3.92131; 3.91951; 4.09255 90; 91.913; 90 | 62.866 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2310783 | CIF Paper | Bi0.428 Fe1.034 O2.736 Pb0.541 | I 1 2/m 1 | 3.9146; 3.91271; 4.13775 90; 91.554; 90 | 63.353 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2310784 | CIF Paper | Bi0.545 Fe1.027 O2.783 Pb0.428 | I 1 2/m 1 | 3.90908; 3.90585; 4.16564 90; 91.318; 90 | 63.585 | Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143 |
2310785 | CIF Paper | Al4.8 O9.6 Si1.2 | P b a m | 7.5911; 7.6924; 2.8899 90; 90; 90 | 168.752 | Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X. The modulated average structure of mullite. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 358-368 |
2310786 | CIF Paper | Al4.78 O9.61 Si1.22 | P b a m | 7.5757; 7.6651; 2.885 90; 90; 90 | 167.528 | Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X. The modulated average structure of mullite. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 358-368 |
2310787 | CIF | O7 P2 Zn2 | I 1 2/c 1 | 20.1131; 8.2769; 9.109 90; 106.338; 90 | 1455.2 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2310788 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6082; 8.2821; 4.5238 90; 105.439; 90 | 238.652 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2310789 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6053; 8.2821; 4.5243 90; 105.416; 90 | 238.6 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2310790 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6041; 8.2827; 4.5249 90; 105.406; 90 | 238.617 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2310791 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6036; 8.283; 4.525 90; 105.403; 90 | 238.617 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2310792 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6025; 8.2826; 4.5251 90; 105.4; 90 | 238.575 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2310793 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6018; 8.2835; 4.526 90; 105.391; 90 | 238.633 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2310794 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.6011; 8.2839; 4.5266 90; 105.387; 90 | 238.655 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2310795 | CIF | O7 P2 Zn2 | C 1 2/m 1 | 6.5998; 8.2845; 4.53 90; 105.335; 90 | 238.86 | Stöger, Berthold; Weil, Matthias; Dušek, Michal The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 539-554 |
2311256 | CIF | C21 H26 N2 O3 | P 21 21 21 | 7.633; 14.455; 16.504 90; 90; 90 | 1821 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311257 | CIF | C18 H25 O2.5 | P 21 21 2 | 12.056; 19.225; 6.519 90; 90; 90 | 1511 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311258 | CIF | C5 H10 N2 O3 | P 21 21 21 | 5.094; 7.745; 15.941 90; 90; 90 | 628.9 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311259 | CIF | C21 H22 N2 | P 21 21 21 | 8.54; 11.086; 17.344 90; 90; 90 | 1642 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311260 | CIF | C21 H29 N3 | P 21 21 21 | 8.513; 11.527; 17.855 90; 90; 90 | 1752.1 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311261 | CIF | C3 H7 N O2 | P 21 21 21 | 5.791; 5.944; 12.269 90; 90; 90 | 422.3 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311262 | CIF | C19 H26 N6 O | P 21 21 21 | 11.25751; 15.43442; 22.52516 90; 90; 90 | 3913.82 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311263 | CIF | C14 H19 N O | P 21 21 21 | 6.816; 8.446; 21.186 90; 90; 90 | 1219.6 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311264 | CIF | C16 H18 N2 | P 1 21 1 | 8.529; 12.793; 12.018 90; 94.386; 90 | 1307.5 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311265 | CIF | C16 H18 N2 | P 32 | 11.7721; 11.7721; 8.0824 90; 90; 120 | 970.02 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311266 | CIF | C19 H18 N2 | P 31 | 12.094; 12.094; 8.551 90; 90; 120 | 1083.1 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311267 | CIF | C21 H22 N2 | P 21 21 21 | 6.0196; 12.7041; 21.6151 90; 90; 90 | 1652.98 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311268 | CIF | C16 H20 N2 O | P 21 21 21 | 8.695; 10.114; 15.544 90; 90; 90 | 1367 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311269 | CIF | C25 H31 N O5 | P 21 21 21 | 8.414; 13.76; 19.299 90; 90; 90 | 2234.4 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311270 | CIF | C27 H48 | P 1 21 1 | 11.375; 10.878; 19.501 90; 104.237; 90 | 2338.9 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311271 | CIF | C19 H26 N6 O | P 21 21 21 | 11.25467; 15.43831; 22.51824 90; 90; 90 | 3912.61 | Parsons, Simon; Flack, Howard D.; Wagner, Trixie Use of intensity quotients and differences in absolute structure refinement. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2013, 69, 249-259 |
2311272 | CIF Paper | H18 Mg O13 Se | P 1 21/c 1 | 7.2223; 10.483; 17.327 90; 109.573; 90 | 1236 | Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J. Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 313-327 |
2311273 | CIF Paper | H18 Mg O13 Se | P 1 21/c 1 | 7.2264; 10.487; 17.33 90; 109.579; 90 | 1237.4 | Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J. Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 313-327 |
2311274 | CIF Paper | H18 Mg O13 Se | P 1 21/c 1 | 7.2389; 10.497; 17.349 90; 109.522; 90 | 1242.5 | Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J. Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 313-327 |
2311275 | CIF Paper | H18 Mg O13 Se | P 1 21/c 1 | 7.2604; 10.502; 17.388 90; 109.423; 90 | 1250.4 | Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J. Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2015, 71, 313-327 |
2311276 | CIF | C21 H35 Cl N O2 P2 Re | P 1 21/c 1 | 9.6475; 10.7392; 25.629 90; 68.684; 90 | 2473.7 | Glatz, Mathias; Stöger, Berthold; Kirchner, Karl Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP<sup>CH<sub>2</sub></sup>-iPr)(CO)<sub>2</sub>Cl]. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 941-949 |
2311277 | CIF | C21 H35 Cl N O2 P2 Re | I 1 2/a 1 | 18.6854; 10.7708; 25.599 90; 107.48; 90 | 4914.1 | Glatz, Mathias; Stöger, Berthold; Kirchner, Karl Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP<sup>CH<sub>2</sub></sup>-iPr)(CO)<sub>2</sub>Cl]. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 941-949 |
2311629 | CIF | C19 H20 Cl N O6 | P 1 21 1 | 11.783; 8.5387; 19.297 90; 96.03; 90 | 1930.8 | Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H. Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62 |
2311630 | CIF | C18 H20 Cl N O8 | P 21 21 21 | 8.5456; 11.74; 19.269 90; 90; 90 | 1933.2 | Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H. Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62 |
2311631 | CIF | C18 H19.5 Cl N0.5 O7 | P 21 21 21 | 8.6852; 15.047; 27.605 90; 90; 90 | 3607.6 | Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H. Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62 |
2311632 | CIF | C19 H22 Cl N O8 | C 1 2 1 | 21.931; 8.6541; 11.797 90; 117.57; 90 | 1984.7 | Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H. Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 54-62 |
2311633 | CIF Paper | C6 F10 | P 1 21/n 1 | 11.9302; 7.2371; 9.6574 90; 113.408; 90 | 765.2 | Solovyov, Leonid A.; Fedorov, Alexandr S.; Kuzubov, Aleksandr A. Complete crystal structure of decafluorocyclohex-1-ene at 4.2 K from original neutron diffraction data. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 395-397 |
2311634 | CIF Paper | C13 H10 N4 | P 1 21/c 1 | 22.6348; 5.825; 17.8421 90; 113.007; 90 | 2165.32 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
2311635 | CIF | C13 H9 F N4 | P 1 21/c 1 | 12.2031; 7.9798; 11.6329 90; 104.043; 90 | 1098.94 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
2311636 | CIF | C13 H9 Cl N4 | C 1 2/c 1 | 16; 5.9258; 24.3829 90; 93.109; 90 | 2308.4 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
2311637 | CIF | C14 H12 N4 | P 1 21 1 | 5.7797; 6.7414; 15.0259 90; 92.359; 90 | 584.96 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
2311638 | CIF | C14 H9 F3 N4 | P -1 | 5.746; 7.2076; 15.2997 103.045; 98.768; 92.29 | 608.25 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
2311639 | CIF | C14 H9 N5 | C 1 2/c 1 | 16.0427; 5.8677; 24.487 90; 92.354; 90 | 2303.1 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
2311640 | CIF | C14 H12 N4 O | P 1 | 3.7837; 10.8502; 15.22 109.226; 97.056; 91.514 | 584.03 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
2311641 | CIF Paper | C14 H10 N4 O2 | P 1 21/c 1 | 10.597; 14.471; 7.7343 90; 90.121; 90 | 1186 | Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389 |
2311642 | CIF Paper | C20 H18 Cl2 F3 N3 O2 S | P -1 | 7.7005; 11.2405; 13.7322 111.249; 90.907; 99.769 | 1087.88 | Panini, Piyush; Venugopala, K. N.; Odhav, Bharti; Chopra, Deepak Polymorphism in two biologically active dihydropyrimidinium hydrochloride derivatives: quantitative inputs towards the energetics associated with crystal packing. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 681-696 |
2311643 | CIF | C19 H20 Br Cl2 N3 O3 | P 1 21/c 1 | 14.8702; 8.091; 17.7304 90; 92.203; 90 | 2131.7 | Panini, Piyush; Venugopala, K. N.; Odhav, Bharti; Chopra, Deepak Polymorphism in two biologically active dihydropyrimidinium hydrochloride derivatives: quantitative inputs towards the energetics associated with crystal packing. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 681-696 |
2311644 | CIF Paper | C44 H56 F2 N6 O14 | P -1 | 9.4994; 14.3694; 18.1458 103.853; 96.528; 106.946 | 2255.11 | Xu, Yun; Jiang, Linglei; Mei, Xuefeng Supramolecular structures and physicochemical properties of norfloxacin salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760 |
2311645 | CIF | C41 H57 F2 N6 O21 | P -1 | 7.4031; 9.7515; 30.9801 88.088; 85.673; 81.38 | 2204.38 | Xu, Yun; Jiang, Linglei; Mei, Xuefeng Supramolecular structures and physicochemical properties of norfloxacin salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760 |
2311646 | CIF | C23 H26 F N3 O7 | P 1 21/c 1 | 8.0761; 14.7184; 18.777 90; 99.269; 90 | 2202.83 | Xu, Yun; Jiang, Linglei; Mei, Xuefeng Supramolecular structures and physicochemical properties of norfloxacin salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760 |
2311647 | CIF | C21 H30 F N3 O10 S | P -1 | 9.041; 10.767; 12.438 89.118; 81.88; 74.64 | 1155.5 | Xu, Yun; Jiang, Linglei; Mei, Xuefeng Supramolecular structures and physicochemical properties of norfloxacin salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760 |
2311648 | CIF | C26 H23 F N3 O10 S | P b c a | 11.6515; 7.4209; 61.8325 90; 90; 90 | 5346.3 | Xu, Yun; Jiang, Linglei; Mei, Xuefeng Supramolecular structures and physicochemical properties of norfloxacin salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760 |
2311649 | CIF | C23 H26 F N3 O7 | P -1 | 7.0237; 9.9645; 17.4655 91.1; 97.543; 109.906 | 1136.71 | Xu, Yun; Jiang, Linglei; Mei, Xuefeng Supramolecular structures and physicochemical properties of norfloxacin salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760 |
2311650 | CIF | C23 H26 F N3 O7 | P -1 | 7.3258; 19.8297; 23.9108 96.924; 97.21; 96.143 | 3394.48 | Xu, Yun; Jiang, Linglei; Mei, Xuefeng Supramolecular structures and physicochemical properties of norfloxacin salts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 750-760 |
2311651 | CIF | C6 H10 O4 | C 1 2/c 1 | 12.555; 6.16; 14.163 90; 139.71; 90 | 708.3 | Joseph, Sumy; Sathishkumar, Ranganathan Succinate esters: odd-even effects in melting points. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846 |
2311652 | CIF | C8 H14 O4 | C 1 2/c 1 | 11.953; 8.714; 9.039 90; 98.367; 90 | 931.5 | Joseph, Sumy; Sathishkumar, Ranganathan Succinate esters: odd-even effects in melting points. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846 |
2311653 | CIF | C10 H18 O4 | P -1 | 4.3722; 7.829; 8.718 113.011; 90.935; 97.047 | 271.92 | Joseph, Sumy; Sathishkumar, Ranganathan Succinate esters: odd-even effects in melting points. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846 |
2311654 | CIF | C12 H22 O4 | P 1 21/c 1 | 10.64; 4.2351; 15.758 90; 112.61; 90 | 655.5 | Joseph, Sumy; Sathishkumar, Ranganathan Succinate esters: odd-even effects in melting points. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846 |
2311655 | CIF | C10 H14 O4 | P 1 21/c 1 | 8.808; 8.553; 6.86 90; 97.58; 90 | 512.3 | Joseph, Sumy; Sathishkumar, Ranganathan Succinate esters: odd-even effects in melting points. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846 |
2311656 | CIF | C18 H18 O4 | P b c a | 10.219; 8.26; 17.923 90; 90; 90 | 1512.9 | Joseph, Sumy; Sathishkumar, Ranganathan Succinate esters: odd-even effects in melting points. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 839-846 |
2311657 | CIF Paper | C42 H46 N2 Ni O4 P2 S4 | P 1 21/n 1 | 11.7905; 14.4443; 12.8825 90; 105.195; 90 | 2117.26 | Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Geeta; Hundal, Maninder S.; Pandey, Sushil K. Synthesis and structural characterization of donor-stabilized disubstituted diphenyldithiophosphates of nickel(II). Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 761-767 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!