Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica B (24,1968-38,1982)'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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2105994 | CIF HKL | C85.46 H157.49 Cr7.07 F8 N Ni0.93 O33.5 | P 1 21/c 1 | 24.8611; 16.5028; 30.85 90; 110.092; 90 | 11886.8 | Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P. Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd Acta Crystallographica Section B, 2014, 70, 932-941 |
2105991 | CIF HKL Paper | C85.39 H157.5 Cr7.01 F8 Mn N O33.5 | P 1 21/c 1 | 24.9224; 16.5198; 30.8326 90; 110.356; 90 | 11901.4 | Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P. Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd Acta Crystallographica Section B, 2014, 70, 932-941 |
2104485 | CIF Paper | C68 H54 Co4 O8 P4 | F d d 2 | 33.916; 35.276; 9.976 90; 90; 90 | 11935.5 | Marsh, Richard E. Space groups <i>P</i>1 and <i>Cc</i>: how are they doing? Acta Crystallographica Section B, 2009, 65, 782-783 |
2312118 | CIF HKL Paper | C18 H16 O Si | P 1 | 22.151; 24.498; 25.108 114.23; 101.09; 95.4 | 11963 | Krawczyk, Monika K. Unusual flash cooling-induced phase in a crystal of triphenylsilanol. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 245-251 |
2312120 | CIF HKL Paper | C18 H16 O Si | P -1 | 22.151; 24.498; 25.108 114.23; 101.09; 95.4 | 11963 | Krawczyk, Monika K. Unusual flash cooling-induced phase in a crystal of triphenylsilanol. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 245-251 |
2105995 | CIF HKL | C85.4 H157.5 Cr7.07 F8 N O33.5 Zn0.925 | P 1 21/c 1 | 24.941; 16.549; 30.871 90; 109.97; 90 | 11976 | Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P. Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd Acta Crystallographica Section B, 2014, 70, 932-941 |
2312119 | CIF HKL Paper | C18 H16 O Si | P 1 | 22.178; 24.504; 25.106 114.21; 101.16; 95.37 | 11978 | Krawczyk, Monika K. Unusual flash cooling-induced phase in a crystal of triphenylsilanol. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 245-251 |
2312121 | CIF HKL Paper | C18 H16 O Si | P -1 | 22.178; 24.504; 25.106 114.21; 101.16; 95.37 | 11978 | Krawczyk, Monika K. Unusual flash cooling-induced phase in a crystal of triphenylsilanol. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 245-251 |
2105996 | CIF HKL | C85.39 H157.49 Cd0.89 Cr7.11 F8 N O33.5 | P 1 21/c 1 | 25.0715; 16.5459; 31.1595 90; 111.223; 90 | 12049.3 | Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P. Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd Acta Crystallographica Section B, 2014, 70, 932-941 |
2105992 | CIF HKL | C85.4 H157.49 Cr7.02 F8 Fe0.98 N O33.5 | P 1 21/c 1 | 25.0491; 16.6301; 30.9272 90; 110.183; 90 | 12092.2 | Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P. Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd Acta Crystallographica Section B, 2014, 70, 932-941 |
2105993 | CIF HKL | C85.42 H157.48 Co0.94 Cr7.06 F8 N O33.5 | P 1 21/c 1 | 25.0305; 16.6392; 30.9101 90; 110.025; 90 | 12095.4 | Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P. Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd Acta Crystallographica Section B, 2014, 70, 932-941 |
2105443 | CIF HKL Paper | C80.75 H175.5 O82.25 | C 1 2 1 | 28.7452; 27.0276; 15.7252 90; 95.827; 90 | 12154 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
2105942 | CIF HKL Paper | C80.75 H175.5 O82.25 | C 1 2 1 | 28.7452; 27.0276; 15.7252 90; 95.827; 90 | 12154 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
2105997 | CIF | C86 H160 Cr7 Cu F8 N O33 | P 1 21/c 1 | 25.0974; 16.6749; 30.9582 90; 110.205; 90 | 12158.6 | Larsen, Finn Krebs; Overgaard, Jacob; Christensen, Mogens; McIntyre, Garry James; Timco, Grigore; Winpenny, Richard E. P. Metal distribution and disorder in the crystal structure of [NH~2~Et~2~][Cr~7~<i>M</i>F~8~(^<i>t^</i>BuCO~2~)~16~] wheel molecules for <i>M</i> = Mn, Fe, Co, Ni, Cu, Zn and Cd Acta Crystallographica Section B, 2014, 70, 932-941 |
2108687 | CIF HKL | C128 H85 Co4 N12 O18 | P 1 21/c 1 | 31.055; 23.792; 16.54 90; 94.255; 90 | 12187 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
2101170 | CIF Paper | C53 H39.5 Au Cl0.5 F6 O8 Os3 P4 | C 1 2/c 1 | 37.46; 9.645; 34.86 90; 104.6; 90 | 12188 | Dodd, I. M.; Hao, Q.; Harding, M. M.; Prince, S. M. Structure determination with Laue diffraction data ‒ including refinement when anomalous scatterers are present Acta Crystallographica Section B, 1994, 50, 441-447 |
2108657 | CIF HKL Paper | C260 H264 N24 O40 | I 4 2 2 | 21.91; 21.91; 25.44 90; 90; 90 | 12212 | Gilski, Miroslaw; Bernatowicz, Piotr; Sakowicz, Arkadiusz; Szymański, Marek P.; Zalewska, Aldona; Szumna, Agnieszka; Jaskólski, Mariusz C~60~ in a peptidic cage: a case of symmetry mismatch studied by crystallography and solid-state NMR Acta Crystallographica Section B, 2020, 76 |
2105444 | CIF HKL Paper | C79.46 H120.12 O73.55 | C 1 2 1 | 28.725; 27.195; 15.838 90; 95.92; 90 | 12306 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
2105943 | CIF HKL | C79.46 H120.12 O73.55 | C 1 2 1 | 28.725; 27.195; 15.838 90; 95.92; 90 | 12306 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
2105445 | CIF HKL Paper | C78.5 H86.4 O73.2 | C 1 2 1 | 28.712; 27.267; 15.79 90; 95.4; 90 | 12307 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
2105944 | CIF HKL | C78.5 H86.4 O73.2 | C 1 2 1 | 28.712; 27.267; 15.79 90; 95.4; 90 | 12307 | Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B, 2013, 69, 214-227 |
2108653 | CIF | F120 Ga20 K60 | I 41/a :2 | 19.1124; 19.1124; 34.4165 90; 90; 90 | 12571.8 | King, Graham New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~ Acta Crystallographica Section B, 2020, 76 |
2106185 | CIF | H15 Mo12 O46 P | F d -3 m :2 | 23.255; 23.255; 23.255 90; 90; 90 | 12576.2 | Clark, C.J.; Hall, D. Dodecamolybdophosphoric acid circa 30-hydrate Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1545-1547 |
2020862 | CIF HKL Paper | C32 H22 Cu2 N0 O10 | P 42/m n m | 18.757; 18.757; 36.092 90; 90; 90 | 12698.1 | Chen, Ying-Pin; Liu, Tian-Fu; Fordham, Stephen; Zhou, Hong-Cai Crystal engineering on superpolyhedral building blocks in metal‒organic frameworks applied in gas adsorption Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 613-610 |
2105429 | CIF | B65.9 Y | F m -3 c | 23.44; 23.44; 23.44 90; 90; 90 | 12878.7 | Richards, S.M.; Kasper, J.S. The crystal structure of Y B66 Acta Crystallographica B (24,1968-38,1982), 1969, 25, 237-251 |
2108957 | CIF Paper | C36 H39 N3 | R -3 :H | 52.879; 52.879; 5.36308 90; 90; 120 | 12987.1 | Vilche, Anna; Bujaldón, Roger; Alcobé, Xavier; Velasco, Dolores; Puigjaner, Cristina Powder X-ray diffraction as a powerful tool to exploit in organic electronics: shedding light on the first <i>N</i>,<i>N</i>',<i>N</i>''-trialkyldiindolocarbazole Acta Crystallographica Section B, 2022, 78, 253-260 |
2101324 | CIF Paper | C32 H45 Ag N3 O7.5 | C 1 2/c 1 | 34.545; 10.035; 38.188 90; 98.83; 90 | 13081.3 | Andrianatoandro, H.; Barrans, Y.; Marsau, P.; Desvergne, J.-P.; Fages, F.; Bouas-Laurent, H. Two 9,10-anthracenocryptand silver(I) nitrate complexes. Fluorescence modulated by Ag^+^ as a function of the geometry of the complex Acta Crystallographica Section B, 1995, 51, 293-300 |
2003003 | CIF Paper | ? | P 4 21 2 | 23.808; 23.808; 23.14 90; 90; 90 | 13116 | Steiner, T.; Saenger, W. Channel-Type Crystal Packing in the Very Rare Space Group <i>P</i>42~1~2 with <i>Z</i>' = 3/4: Crystal Structure of the Complex γ-Cyclodextrin‒Methanol‒<i>n</i>-Hydrate Acta Crystallographica Section B, 1998, 54, 450-455 |
2104524 | CIF Paper | C42 H48 | F d d 2 | 25.898; 74.105; 6.853 90; 90; 90 | 13152 | Marsh, Richard E. Space groups <i>P</i>1 and <i>Cc</i>: how are they doing? Acta Crystallographica Section B, 2009, 65, 782-783 |
2100742 | CIF Paper | C51 H122 O58 | P 4 21 2 | 23.8093; 23.8093; 23.2069 90; 90; 90 | 13155.6 | Ding, J.; Steiner, T.; Saenger, W. Structure of the γ-cyclodextrin‒1-propanol‒17H~2~O inclusion complex Acta Crystallographica Section B, 1991, 47, 731-738 |
2100741 | CIF Paper | C51 H122 O58 | P 4 21 2 | 23.84; 23.84; 23.227 90; 90; 90 | 13201 | Ding, J.; Steiner, T.; Saenger, W. Structure of the γ-cyclodextrin‒1-propanol‒17H~2~O inclusion complex Acta Crystallographica Section B, 1991, 47, 731-738 |
2103879 | CIF HKL Paper | C82 H72 N2 O4 Si4 | P -1 | 20.787; 24.404; 29.456 83.68; 89.65; 67.11 | 13671 | Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher The 1:1 adduct of triphenylsilanol and 4,4'-bipyridyl, and three pairwise-concomitant triclinic polymorphs of the 4:1 adduct having <i>Z</i>' = 0.5, 1 and 4 Acta Crystallographica Section B, 2003, 59, 277-286 |
2105088 | CIF HKL Paper | C75 H44 N8 O23.04 Zn5 | C 1 2/c 1 | 33.957; 23.8834; 17.1688 90; 90.079; 90 | 13924 | Zheng, Ran; Han, Lei; Pan, Qinhe; Christensen, Kirsten E.; Ren, Tiezhen Two novel Zn-MOFs: structures and characterization Acta Crystallographica Section B, 2012, 68, 158-163 |
9013393 | CIF | O2 Si | F 1 | 9.932; 17.216; 81.864 90; 90; 90 | 13997.9 | Konnert, J. H.; Appleman, D. E. The crystal structure of low tridymite Acta Crystallographica, Section B, 1978, 34, 391-403 |
2104241 | CIF HKL Paper | C10 H24 Fe N2 O13 | B 1 21 1 | 14.507; 14.226; 68.39 90; 96.23; 90 | 14031 | Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ Acta Crystallographica Section B, 2008, 64, 738-749 |
2107148 | CIF | Na43.82 Tl7 | F -4 3 m | 24.154; 24.154; 24.154 90; 90; 90 | 14091.8 | Samson, S.; Hansen, D.A. Complex cubic A6 B compounds. I. The crystal structure of Na6 Tl Acta Crystallographica B (24,1968-38,1982), 1972, 28, 930-935 |
2101808 | CIF Paper | C80 H112 N8 Ni | P 1 21/n 1 | 22.347; 37.246; 18.834 90; 115.185; 90 | 14186 | Helliwell, M.; Deacon, A.; Moon, K. J.; Powell, A. K.; Cook, M. J. Two Crystal Structures Towards the Discotic Columnar Mesophase of (1,4,8,11,15,18,22,25-Octahexylphthalocyaninato)nickel Acta Crystallographica Section B, 1997, 53, 231-240 |
2103953 | CIF Paper | C80 H112 N8 Ni | C 1 2/c 1 | 22.975; 36.38; 18.926 90; 115.266; 90 | 14306 | Helliwell, Madeleine; Teat, Simon J.; Coles, Simon J.; Reeve, William Temperature-resolved study of the structural behaviour of nickel octahexyl phthalocyanine up to the liquid crystal transition Acta Crystallographica Section B, 2003, 59, 617-624 |
2103952 | CIF Paper | C80 H112 N8 Ni | C 1 2/c 1 | 22.468; 37.01; 18.942 90; 114.518; 90 | 14331 | Helliwell, Madeleine; Teat, Simon J.; Coles, Simon J.; Reeve, William Temperature-resolved study of the structural behaviour of nickel octahexyl phthalocyanine up to the liquid crystal transition Acta Crystallographica Section B, 2003, 59, 617-624 |
2104243 | CIF HKL Paper | C10 H24 N2 O13 Zn | B 1 21 1 | 14.737; 14.05; 69.935 90; 96.99; 90 | 14373 | Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ Acta Crystallographica Section B, 2008, 64, 738-749 |
2104242 | CIF HKL Paper | C10 H24 Mg N2 O13 | B 1 21 1 | 14.597; 14.135; 70.201 90; 96.95; 90 | 14378 | Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ Acta Crystallographica Section B, 2008, 64, 738-749 |
2101807 | CIF Paper | C80 H112 N8 Ni | C 1 2/c 1 | 22.55; 37.14; 18.994 90; 114.6; 90 | 14464 | Helliwell, M.; Deacon, A.; Moon, K. J.; Powell, A. K.; Cook, M. J. Two Crystal Structures Towards the Discotic Columnar Mesophase of (1,4,8,11,15,18,22,25-Octahexylphthalocyaninato)nickel Acta Crystallographica Section B, 1997, 53, 231-240 |
2103955 | CIF Paper | C80 H112 N8 Ni | C 1 2/c 1 | 26.9247; 33.391; 19.1056 90; 121.471; 90 | 14650.1 | Helliwell, Madeleine; Teat, Simon J.; Coles, Simon J.; Reeve, William Temperature-resolved study of the structural behaviour of nickel octahexyl phthalocyanine up to the liquid crystal transition Acta Crystallographica Section B, 2003, 59, 617-624 |
2102127 | CIF Paper | Al96 Ca48 O384 Si96 | F m -3 c | 24.47; 24.47; 24.47 90; 90; 90 | 14652 | Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data Acta Crystallographica Section B, 2000, 56, 766-772 |
2102128 | CIF Paper | Al96 Ca48 O384 Si96 | F m -3 c | 24.47; 24.47; 24.47 90; 90; 90 | 14652 | Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data Acta Crystallographica Section B, 2000, 56, 766-772 |
2102129 | CIF Paper | Al96 Ca48 O384 Si96 | F m -3 c | 24.47; 24.47; 24.47 90; 90; 90 | 14652 | Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data Acta Crystallographica Section B, 2000, 56, 766-772 |
2102130 | CIF Paper | Al96 Ca48 O384 Si96 | F -4 3 c | 24.47; 24.47; 24.47 90; 90; 90 | 14652 | Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data Acta Crystallographica Section B, 2000, 56, 766-772 |
2103954 | CIF Paper | C80 H112 N8 Ni | C 1 2/c 1 | 27.037; 33.449; 19.177 90; 121.65; 90 | 14763 | Helliwell, Madeleine; Teat, Simon J.; Coles, Simon J.; Reeve, William Temperature-resolved study of the structural behaviour of nickel octahexyl phthalocyanine up to the liquid crystal transition Acta Crystallographica Section B, 2003, 59, 617-624 |
2105766 | CIF Paper | C89 H102 Ag22 F48 O44 S12 | C 1 2/c 1 | 21.9927; 14.8488; 45.797 90; 93.937; 90 | 14920.4 | Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W. Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles Acta Crystallographica Section B, 2014, 70, 37-46 |
2105765 | CIF Paper | C86 H96 Ag22 F48 O44 S12 | C 1 2/c 1 | 22.076; 14.793; 45.863 90; 93.501; 90 | 14950 | Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W. Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles Acta Crystallographica Section B, 2014, 70, 37-46 |
2103880 | CIF HKL Paper | C112 H127 N4 O88.08 | C 1 2 1 | 19.319; 24.19; 33.315 90; 103.924; 90 | 15112 | Giastas, Petros; Yannakopoulou, Konstantina; Mavridis, Irene M. Molecular structures of the inclusion complexes β-cyclodextrin‒1,2-bis(4-aminophenyl)ethane and β-cyclodextrin‒4,4'-diaminobiphenyl; packing of dimeric β-cyclodextrin inclusion complexes Acta Crystallographica Section B, 2003, 59, 287-299 |
2104896 | CIF Paper | C12 H16 Co N8 O6 V2 | I 41/a :2 | 22.8606; 22.8606; 29.2658 90; 90; 90 | 15294.5 | Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B, 2011, 67, 41-52 |
2104897 | CIF Paper | C12 H16 Co N8 O6 V2 | I 41/a :2 | 22.8863; 22.8863; 29.27 90; 90; 90 | 15331.1 | Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B, 2011, 67, 41-52 |
2108566 | CIF HKL | C7 H7.75 N Na O4.875 S | P 1 21/n 1 | 18.6212; 28.4622; 29.1642 90; 93.4511; 90 | 15429 | Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace Acta Crystallographica Section B, 2020, 76 |
2104891 | CIF Paper | C12 H16 Mn N8 O6 V2 | I 41/a :2 | 23.0354; 23.0354; 29.6005 90; 90; 90 | 15706.9 | Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B, 2011, 67, 41-52 |
2107314 | CIF | Al96 Ca47.04 H217.28 O492.64 Si96 | F d -3 :2 | 25.06; 25.06; 25.06 90; 90; 90 | 15737.8 | Smolin, Yu.I.; Shepelev, Yu.F.; Anderson, A.A. Atomic scale mechanism of CaX zeolite dehydration Acta Crystallographica B (39,1983-), 1989, 45, 124-128 |
2107315 | CIF | Al92 Ca40.32 H64 O416 Si100 | F d -3 :2 | 25.06; 25.06; 25.06 90; 90; 90 | 15737.8 | Smolin, Yu.I.; Shepelev, Yu.F.; Anderson, A.A. Atomic scale mechanism of CaX zeolite dehydration Acta Crystallographica B (39,1983-), 1989, 45, 124-128 |
2107316 | CIF | Al96 Ca46.1 H21.8 O394.9 Si96 | F d -3 :2 | 25.06; 25.06; 25.06 90; 90; 90 | 15737.8 | Smolin, Yu.I.; Shepelev, Yu.F.; Anderson, A.A. Atomic scale mechanism of CaX zeolite dehydration Acta Crystallographica B (39,1983-), 1989, 45, 124-128 |
2107317 | CIF | Al96 Ca49.1 O384 Si96 | F d -3 :2 | 25.06; 25.06; 25.06 90; 90; 90 | 15737.8 | Smolin, Yu.I.; Shepelev, Yu.F.; Anderson, A.A. Atomic scale mechanism of CaX zeolite dehydration Acta Crystallographica B (39,1983-), 1989, 45, 124-128 |
2108846 | CIF HKL | Cd432.91 Mg177.41 Y90.4 | P a -3 | 25.0654; 25.0654; 25.0654 90; 90; 90 | 15748 | Yamada, Tsunetomo; Fujita, Nobuhisa; Labib, Farid 2/1 and 1/1 cubic approximants in the ternary <i>R</i>-Cd-Mg (<i>R</i> = Y, Er) systems Acta Crystallographica Section B, 2021, 77 |
2104892 | CIF Paper | C12 H16 Mn N8 O6 V2 | I 41/a :2 | 23.0473; 23.0473; 29.6521 90; 90; 90 | 15750.5 | Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B, 2011, 67, 41-52 |
2107318 | CIF | Al92 Ca39.36 H121.28 O444.64 Si100 | F d -3 :2 | 25.08; 25.08; 25.08 90; 90; 90 | 15775.5 | Smolin, Yu.I.; Shepelev, Yu.F.; Anderson, A.A. Atomic scale mechanism of CaX zeolite dehydration Acta Crystallographica B (39,1983-), 1989, 45, 124-128 |
2104893 | CIF Paper | C12 H16 Mn N8 O6 V2 | I 41/a :2 | 23.0645; 23.0645; 29.6897 90; 90; 90 | 15794.1 | Chainok, Kittipong; Haller, Kenneth J.; Rae, A. David; Willis, Anthony C.; Williams, Ian D. Investigation of the structure and phase transitions of the polymeric inorganic‒organic hybrids: [<i>M</i>(Im)~4~V~2~O~6~]~{∞~}; <i>M</i> = Mn, Co, Ni, Im = imidazole Acta Crystallographica Section B, 2011, 67, 41-52 |
2107469 | CIF Paper | C38 H42 Cu N6 O11 | F d d 2 | 27; 56.855; 10.756 90; 90; 90 | 16511 | Pradhan, Subhashis; Moon, Dohyun; John, Rohith P. A double stranded metal‒organic assembly accommodating a pair of water trimers in the host cavity and catalysing Glaser coupling Acta Crystallographica Section B, 2016, 72, 102-108 |
2104997 | CIF HKL Paper | C10 H36 N2 Ni O19 | B 1 21 1 | 30.632; 12.594; 55.955 90; 129.46; 90 | 16666 | Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K Acta Crystallographica Section B, 2011, 67, 486-498 |
2104996 | CIF HKL Paper | C10 H36 N2 Ni O19 | B 1 21 1 | 31.013; 12.56; 56.246 90; 129.19; 90 | 16981 | Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K Acta Crystallographica Section B, 2011, 67, 486-498 |
2106556 | CIF | H92 Hf18 O121 S13 | P 63/m | 34.09; 34.09; 17.664 90; 90; 120 | 17777.6 | Mark, W.; Hansson, M. The crystal structure of Hf18 O10 (O H)26 (S O4)13 (H2 O)33 Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1101-1108 |
2102086 | CIF Paper | Al477.44 Cr63.42 Fe51.42 | P 63/m | 40.68; 40.68; 12.546 90; 90; 120 | 17980 | Mo, Z.M.; Zhou, H.Y.; Kuo, K.H. Structure of ν-Al~80.61~Cr~10.71~Fe~8.68~, a giant hexagonal approximant of a quasicrystal determined by a combination of electron microscopy and X-ray diffraction Acta Crystallographica Section B, 2000, 56, 392-401 |
2002983 | CIF Paper | O7 V2 Zr | P a -3 | 26.296; 26.296; 26.296 90; 90; 90 | 18183.1 | Evans, J.S.O.; Hanson, J.C.; Sleight, A.W. Room-Temperature Superstructure of ZrV~2~O~7~ Acta Crystallographica Section B, 1998, 54, 705-713 |
2104681 | CIF HKL Paper | C24 H17.2 Fe Na2 O4.6 | P b c a | 36.4368; 11.5998; 45.8014 90; 90; 90 | 19358.4 | Gallagher, John F.; Alley, Steven; Brosnan, Marianne; Lough, Alan J. 1,1'-Fc(4-C~6~H~4~CO~2~Et)~2~ and its unusual salt derivative with <i>Z</i>' = 5, <i>catena</i>-[Na^+^]~2~[1,1'-Fc(4-C~6~H~4~CO~2~^{-^})~2~]·0.6H~2~O [1,1'-Fc = (η^5^-(C~5~H~4~)~2~Fe] Acta Crystallographica Section B, 2010, 66, 196-205 |
9007597 | CIF | F H28 Na7 O27 P2 | F d -3 c :2 | 27.755; 27.755; 27.755 90; 90; 90 | 21380.8 | Baur, W. H.; Tillmanns, E. Salt hydrates. X. The crystal structure determinations of heptasodium fluoride bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and the computer simulation of the isomorphous vanadate salt Note: not all H were located Locality: synthetic Acta Crystallographica, Section B, 1974, 30, 2218-2224 |
9007598 | CIF | As2 F H28 Na7 O27 | F d -3 c :2 | 28.12; 28.12; 28.12 90; 90; 90 | 22235.5 | Baur, W. H.; Tillmanns, E. Salt hydrates. X. The crystal structure determination of heptasodium fluoride bisphosphate 19-hydrate and heptasodium fluoride bisarsenate 19-hydrate and the computer simulation of the isomorphous vanadate salt Acta Crystallographica, Section B, 1974, 30, 2218-2224 |
2108428 | CIF | C149 N30 O78 S6 | P 21 21 21 | 18.5453; 30.1766; 39.798 90; 90; 90 | 22272 | Fili, Stavroula; Valmas, Alexandros; Spiliopoulou, Maria; Kontou, Paraskevi; Fitch, Andrew; Beckers, Detlef; Degen, Thomas; Barlos, Kleomenis; Barlos, Kostas K.; Karavassili, Fotini; Margiolaki, Irene Revisiting the structure of a synthetic somatostatin analogue for peptide drug design Acta Crystallographica Section B, 2019, 75 |
2102370 | CIF Paper | C106 H60 N2 O32 P4 Pd4 Ru12 | F d d 2 | 31.343; 29.969; 23.979 90; 90; 90 | 22523.9 | Marsh, Richard E. Space group <i>Cc</i>: an update Acta Crystallographica Section B, 2004, 60, 252-253 |
2021924 | CIF | C18 H33 Eu5 O18 | I a -3 d | 28.7121; 28.7121; 28.7121 90; 90; 90 | 23669.8 | Abdallah, Amal; Ammar, Souad; Ban, Voraksmy; Sibille, Romain; Francois, Michel Ab initio structure determination of [Eu5(C2H4O2)6(CH3CO2)3] n by X-ray powder diffraction Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74, 592 |
2103374 | CIF Paper | C216 H180 Hg32 Se50 | P 32 2 1 | 22.753; 22.753; 53.02 90; 90; 120 | 23771 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
2104499 | CIF Paper | ? | C 1 2/c 1 | 32.0109; 21.9539; 37.7303 90; 111.057; 90 | 24744.9 | Marsh, Richard E. Space groups <i>P</i>1 and <i>Cc</i>: how are they doing? Acta Crystallographica Section B, 2009, 65, 782-783 |
2021078 | CIF HKL | C251.4 H217.15 Cl0.2 F6 Fe6 N11.65 O22 | P 1 21/n 1 | 35.549; 21.056; 36.869 90; 115.485; 90 | 24912 | Becker, Sabine The crystal structure of [Fe2(PIMIC6)(AnthCO2)(CH3CN)]·[Fe2(PIMIC6)(AnthCO2)(CH3CN)0.9(CH2Cl2)0.1]·[Fe2(PIMIC6)(AnthCO2)(OH2)]·0.75CH3CN: a crystallographer's nightmare or a fascinating case of disorder? Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74 |
2104478 | CIF Paper | C54 H68 F12 N8 Ni3 O8 P2 | F d d 2 | 36.282; 54.429; 13.198 90; 90; 90 | 26063.3 | Marsh, Richard E. Space groups <i>P</i>1 and <i>Cc</i>: how are they doing? Acta Crystallographica Section B, 2009, 65, 782-783 |
2106168 | CIF | Cd1.89 Na1.11 | F d -3 m :1 | 30.56; 30.56; 30.56 90; 90; 90 | 28540.4 | Yang Qibin; Andersson, S.; Stenberg, L. An alternative description of the structure of Na Cd2 Acta Crystallographica B (39,1983-), 1987, 43, 14-16 |
2100852 | CIF Paper | C78 H98 N30 O49 P7 | P 43 21 2 | 42.56; 42.56; 24.61 90; 90; 90 | 44577 | Cervi, A. R.; Langlois d'Estaintot, B.; Hunter, W. N. Crystal and molecular structure of d(GTCTAGAC) Acta Crystallographica Section B, 1992, 48, 714-719 |
2101317 | CIF Paper | Cs6 O36 W11 | R -3 cr {rhombohedral axes} | 37.097; 37.097; 37.097 90; 90; 90 | 51052.4 | Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B, 1995, 51, 300-307 |
2020863 | CIF HKL | C32 H22 N0 Ni3.17 O16 | F m -3 m | 40.9779; 40.9779; 40.9779 90; 90; 90 | 68810 | Chen, Ying-Pin; Liu, Tian-Fu; Fordham, Stephen; Zhou, Hong-Cai Crystal engineering on superpolyhedral building blocks in metal‒organic frameworks applied in gas adsorption Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 613 |
2104374 | CIF HKL Paper | Al3339.8 Cu231.95 Ta2336 | F -4 3 m | 45.376; 45.376; 45.376 90; 90; 90 | 93428 | Weber, Thomas; Dshemuchadse, Julia; Kobas, Miroslav; Conrad, Matthias; Harbrecht, Bernd; Steurer, Walter Large, larger, largest ‒ a family of cluster-based tantalum copper aluminides with giant unit cells. I. Structure solution and refinement Acta Crystallographica Section B, 2009, 65, 308-317 |
2105953 | CIF | Al67.4 Ni14.7 Rh17.8 | P 1 | 150; 150; 4.181 90; 90; 90 | 94072.5 | Logvinovich, Dmitry; Simonov, Arkadiy; Steurer, Walter Structure of decagonal Al‒Ni‒Rh Acta Crystallographica Section B, 2014, 70, 732-742 |
2311717 | CIF Paper | Cu3.311 Si | P -3 | 56.98; 56.98; 44.055 90; 90; 120 | 123871 | Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš Crystal structures of η''-Cu<sub>3+x</sub>Si and η'''-Cu<sub>3+x</sub>Si. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 767-774 |
2104375 | CIF HKL Paper | Al12827.56 Cu1244.05 Ta9063 | F -4 3 m | 71.49; 71.49; 71.49 90; 90; 90 | 365373 | Weber, Thomas; Dshemuchadse, Julia; Kobas, Miroslav; Conrad, Matthias; Harbrecht, Bernd; Steurer, Walter Large, larger, largest ‒ a family of cluster-based tantalum copper aluminides with giant unit cells. I. Structure solution and refinement Acta Crystallographica Section B, 2009, 65, 308-317 |
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