Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 66
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2017772 | CIF HKL Paper | Ga5.61 La3 O14 Ta0.41 | P 3 2 1 | 8.224; 8.224; 5.126 90; 90; 120 | 300.2 | Chitra, R.; Choudhury, R. R. Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study Acta Crystallographica Section B, 2010, 66, 497-502 |
| 2017773 | CIF HKL Paper | Ga5.34 La3 O14 Si0.36 Ta0.29 | P 3 2 1 | 8.195; 8.195; 5.118 90; 90; 120 | 297.7 | Chitra, R.; Choudhury, R. R. Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study Acta Crystallographica Section B, 2010, 66, 497-502 |
| 2017774 | CIF HKL Paper | Ga5.48 La3 O14 Ta0.03 Zr0.5 | P 3 2 1 | 8.256; 8.256; 5.141 90; 90; 120 | 303.5 | Chitra, R.; Choudhury, R. R. Single-crystal neutron diffraction investigation on crystals belonging to the langasite family: a comparative study Acta Crystallographica Section B, 2010, 66, 497-502 |
| 2017775 | CIF HKL Paper | C41 H77.77 N2 O15.88 | P 21 21 21 | 11.624; 16.748; 24.018 90; 90; 90 | 4675.8 | Holstein, J. J.; Luger, P.; Kalinowski, R.; Mebs, S.; Paulman, C.; Dittrich, B. Validation of experimental charge densities: refinement of the macrolide antibiotic roxithromycin Acta Crystallographica Section B, 2010, 66, 568-577 |
| 2017776 | CIF Paper | C22 H8 Br2 O2 | P 1 21/c 1 | 3.865; 19.424; 10.113 90; 92.56; 90 | 758.5 | Schmidt, Martin U.; Paulus, Erich F.; Rademacher, Nadine; Day, Graeme M. Experimental and predicted crystal structures of Pigment Red 168 and other dihalogenated anthanthrones Acta Crystallographica Section B, 2010, 66, 515-526 |
| 2017777 | CIF Paper | C22 H8 I2 O2 | P 1 21/c 1 | 4.202; 20.956; 9.276 90; 100.63; 90 | 802.8 | Schmidt, Martin U.; Paulus, Erich F.; Rademacher, Nadine; Day, Graeme M. Experimental and predicted crystal structures of Pigment Red 168 and other dihalogenated anthanthrones Acta Crystallographica Section B, 2010, 66, 515-526 |
| 2017778 | CIF Paper | C22 H8 Cl2 O2 | P -1 | 3.795; 9.527; 10.662 105.78; 93.27; 95.26 | 368.04 | Schmidt, Martin U.; Paulus, Erich F.; Rademacher, Nadine; Day, Graeme M. Experimental and predicted crystal structures of Pigment Red 168 and other dihalogenated anthanthrones Acta Crystallographica Section B, 2010, 66, 515-526 |
| 2017779 | CIF Paper | C24 H30 N6 | P -1 | 9.697; 12.2426; 13.9365 87.182; 81.257; 82.062 | 1618.9 | Lo Presti, Leonardo; Soave, Raffaella; Longhi, Mariangela; Ortoleva, Emanuele Conformational polymorphism in a Schiff-base macrocyclic organic ligand: an experimental and theoretical study Acta Crystallographica Section B, 2010, 66, 527-543 |
| 2017780 | CIF Paper | C24 H30 N6 | P -1 | 9.8236; 9.9337; 12.1088 92.421; 98.77; 107.011 | 1112 | Lo Presti, Leonardo; Soave, Raffaella; Longhi, Mariangela; Ortoleva, Emanuele Conformational polymorphism in a Schiff-base macrocyclic organic ligand: an experimental and theoretical study Acta Crystallographica Section B, 2010, 66, 527-543 |
| 2017781 | CIF Paper | C76 H96 N20 O0.68 | P -1 | 12.2369; 12.5634; 13.0094 87.378; 68.153; 79.441 | 1824.4 | Lo Presti, Leonardo; Soave, Raffaella; Longhi, Mariangela; Ortoleva, Emanuele Conformational polymorphism in a Schiff-base macrocyclic organic ligand: an experimental and theoretical study Acta Crystallographica Section B, 2010, 66, 527-543 |
| 2017782 | CIF Paper | C H6 N O3 P | P b c a | 8.977; 9.186; 10.003 90; 90; 90 | 824.9 | Janicki, Rafał; Starynowicz, Przemysław Charge density distribution in aminomethylphosphonic acid Acta Crystallographica Section B, 2010, 66, 559-567 |
| 2017783 | CIF HKL Paper | C19 H35 Cl P Rh | P 1 21/n 1 | 8.43502; 13.97075; 16.67516 90; 103.563; 90 | 1910.26 | Sparkes, Hazel A.; Chaplin, Adrian B.; Weller, Andrew S.; Howard, Judith A. K. Bond catastrophes in rhodium complexes: experimental charge-density studies of [Rh(C~7~H~8~)(P^<i>t^</i>Bu~3~)Cl] and [Rh(C~7~H~8~)(PCy~3~)Cl] Acta Crystallographica Section B, 2010, 66, 503-514 |
| 2017784 | CIF HKL Paper | C25 H41 Cl P Rh | P 1 21/n 1 | 10.21309; 15.82275; 14.64123 90; 97.7784; 90 | 2344.24 | Sparkes, Hazel A.; Chaplin, Adrian B.; Weller, Andrew S.; Howard, Judith A. K. Bond catastrophes in rhodium complexes: experimental charge-density studies of [Rh(C~7~H~8~)(P^<i>t^</i>Bu~3~)Cl] and [Rh(C~7~H~8~)(PCy~3~)Cl] Acta Crystallographica Section B, 2010, 66, 503-514 |
| 2104666 | CIF Paper | Ge9 O33 Pb15 | P 3 | 10.22887; 10.22887; 10.66337 90; 90; 120 | 966.23 | Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J. Polysomatic apatites Acta Crystallographica Section B, 2010, 66, 1-16 |
| 2104667 | CIF Paper | Bi1.5 Ge9 Na1.5 O33 Pb12 | P 3 | 10.13385; 10.13385; 10.52045 90; 90; 120 | 935.651 | Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J. Polysomatic apatites Acta Crystallographica Section B, 2010, 66, 1-16 |
| 2104668 | CIF Paper | Bi3 Ge9 Na3 O33 Pb9 | P 3 | 10.08745; 10.08745; 10.40506 90; 90; 120 | 916.934 | Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J. Polysomatic apatites Acta Crystallographica Section B, 2010, 66, 1-16 |
| 2104669 | CIF Paper | Ca8 Cl3.8 O42.1 Pb12 Si12 | P 63/m | 10.0898; 10.0898; 13.2506 90; 90; 120 | 1168.24 | Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J. Polysomatic apatites Acta Crystallographica Section B, 2010, 66, 1-16 |
| 2104670 | CIF HKL Paper | F4 Mo N2 O2 | C m c m | 5.9672; 14.4798; 7.1105 90; 90; 90 | 614.37 | Udovenko, Anatoly A.; Vasiliev, Alexander D.; Laptash, Natalia M. Orientational disorder and phase transitions in crystals of dioxofluoromolybdate, (NH~4~)~2~MoO~2~F~4~ Acta Crystallographica Section B, 2010, 66, 34-39 |
| 2104671 | CIF HKL Paper | F4 Mo N2 O2 | P n m a | 7.1452; 5.8979; 14.2737 90; 90; 90 | 601.52 | Udovenko, Anatoly A.; Vasiliev, Alexander D.; Laptash, Natalia M. Orientational disorder and phase transitions in crystals of dioxofluoromolybdate, (NH~4~)~2~MoO~2~F~4~ Acta Crystallographica Section B, 2010, 66, 34-39 |
| 2104672 | CIF HKL Paper | Mn0.729 O1.458 Rb | Fddd(00\g)ss0 | 12.207; 20.1548; 3.9753 90; 90; 90 | 978.04 | Nuss, Jürgen; Pfeiffer, Steffen; van Smaalen, Sander; Jansen, Martin Structures of incommensurate and commensurate composite crystals Rb~<i>x~</i>MnO~2~ (<i>x</i> = 1.3711, 1.3636) Acta Crystallographica Section B, 2010, 66, 27-33 |
| 2104673 | CIF HKL Paper | Mn0.733 O1.467 Rb | Fddd(00\g)ss0 | 12.1639; 20.1013; 3.9865 90; 90; 90 | 974.74 | Nuss, Jürgen; Pfeiffer, Steffen; van Smaalen, Sander; Jansen, Martin Structures of incommensurate and commensurate composite crystals Rb~<i>x~</i>MnO~2~ (<i>x</i> = 1.3711, 1.3636) Acta Crystallographica Section B, 2010, 66, 27-33 |
| 2104674 | CIF Paper | Li0.94 Ni1.04 O7 Ti2.67 | P -3 c 1 | 5.059105; 5.059105; 32.53711 90; 90; 120 | 721.202 | Gemmi, Mauro; Klein, Holger; Rageau, Amelie; Strobel, Pierre; Le Cras, Federic Structure solution of the new titanate Li~4~Ti~8~Ni~3~O~21~ using precession electron diffraction Acta Crystallographica Section B, 2010, 66, 60-68 |
| 2104675 | CIF Paper | Li Ni0.5 O4 Ti1.5 | F d -3 m :2 | 8.36437; 8.36437; 8.36437 90; 90; 90 | 585.194 | Gemmi, Mauro; Klein, Holger; Rageau, Amelie; Strobel, Pierre; Le Cras, Federic Structure solution of the new titanate Li~4~Ti~8~Ni~3~O~21~ using precession electron diffraction Acta Crystallographica Section B, 2010, 66, 60-68 |
| 2104676 | CIF Paper | Cs2 Cu O12 Si5 | P b c a | 13.58943; 13.57355; 13.62296 90; 90; 90 | 2512.85 | Bell, A. M. T.; Knight, K. S.; Henderson, C. M. B.; Fitch, A. N. Revision of the structure of Cs~2~CuSi~5~O~12~ leucite as orthorhombic <i>Pbca</i> Acta Crystallographica Section B, 2010, 66, 51-59 |
| 2104677 | CIF Paper | Cs8 Cu4 O48 Si20 | I a -3 d | 13.6322; 13.6322; 13.6322 90; 90; 90 | 2533.37 | Bell, A. M. T.; Knight, K. S.; Henderson, C. M. B.; Fitch, A. N. Revision of the structure of Cs~2~CuSi~5~O~12~ leucite as orthorhombic <i>Pbca</i> Acta Crystallographica Section B, 2010, 66, 51-59 |
| 2104678 | CIF Paper | C13 H18 O2 | P 1 21/c 1 | 12.3794; 5.8723; 17.5615 90; 94.873; 90 | 1272.03 | Derollez, Patrick; Dudognon, Emeline; Affouard, Frédéric; Danède, Florence; Correia, Natália T.; Descamps, Marc <i>Ab initio</i> structure determination of phase II of racemic ibuprofen by X-ray powder diffraction Acta Crystallographica Section B, 2010, 66, 76-80 |
| 2104679 | CIF Paper | C74 H48 Ag2 F12 N2 P4 S2 | P 1 21/n 1 | 8.7406; 15.4925; 24.5352 90; 91.2; 90 | 3321.7 | Omondi, Bernard; Meijboom, Reinout Concomitant polymorphic behavior of di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-bis[bis(tri-<i>p</i>-fluorophenylphosphine-κ<i>P</i>)silver(I)] Acta Crystallographica Section B, 2010, 66, 69-75 |
| 2104680 | CIF Paper | C74 H48 Ag2 F12 N2 P4 S2 | P 1 21/c 1 | 18.5885; 14.0668; 38.275 90; 96.551; 90 | 9942.8 | Omondi, Bernard; Meijboom, Reinout Concomitant polymorphic behavior of di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-bis[bis(tri-<i>p</i>-fluorophenylphosphine-κ<i>P</i>)silver(I)] Acta Crystallographica Section B, 2010, 66, 69-75 |
| 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 |
| 2104682 | CIF HKL Paper | C28 H26 Fe O4 | P -1 | 9.1028; 9.6826; 25.3805 83.683; 82.2; 89.46 | 2202.82 | 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 |
| 2104683 | CIF Paper | Cr2 O7 P2 | C2/m(\a0\g)-1s | 7.0192; 8.4063; 4.6264 90; 108.611; 90 | 258.708 | Li, Liang; Schönleber, Andreas; van Smaalen, Sander Modulation functions of incommensurately modulated Cr~2~P~2~O~7~ studied by the maximum entropy method (MEM) Acta Crystallographica Section B, 2010, 66, 130-140 |
| 2104684 | CIF HKL Paper | Cr2 O7 P2 | C2/m(\a0\g)0s | 7.0192; 8.4063; 4.6264 90; 108.611; 90 | 258.708 | Li, Liang; Schönleber, Andreas; van Smaalen, Sander Modulation functions of incommensurately modulated Cr~2~P~2~O~7~ studied by the maximum entropy method (MEM) Acta Crystallographica Section B, 2010, 66, 130-140 |
| 2104686 | CIF Paper | Bi35.66 O66.51 W4.34 | I 41 | 12.5576; 12.5576; 11.274 90; 90; 90 | 1777.83 | Sharma, Neeraj; Macquart, Rene B.; Avdeev, Maxim; Christensen, Mogens; McIntyre, Garry J.; Chen, Yu-Sheng; Ling, Chris D. Re-investigation of the structure and crystal chemistry of the Bi~2~O~3~‒W~2~O~6~ `type (Ib)' solid solution using single-crystal neutron and synchrotron X-ray diffraction Acta Crystallographica Section B, 2010, 66, 165-172 |
| 2104688 | CIF HKL Paper | Ca O6 Sr2 W | P 1 21/n 1 | 5.8; 5.813; 8.207 90; 89.966; 90 | 276.7 | Madariaga, G.; Faik, A.; Breczewski, T.; Igartua, J. M. Crystal growth and twinned crystal structure of Sr~2~CaWO~6~ Acta Crystallographica Section B, 2010, 66, 109-116 |
| 2104689 | CIF Paper | B2 Ga4 O9 | C 1 2/m 1 | 15.3658; 5.72177; 10.9987 90; 135.237; 90 | 680.936 | Cong, Rihong; Yang, Tao; Li, Kuo; Li, Hongmei; You, Liping; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua Mullite-type Ga~4~B~2~O~9~: structure and order‒disorder phenomenon Acta Crystallographica Section B, 2010, 66, 141-150 |
| 2104690 | CIF Paper | C4 H12 Si | P n m a | 13.131; 8.198; 6.329 90; 90; 90 | 681.3 | Wolf, Alexandra K.; Glinnemann, Jürgen; Fink, Lothar; Alig, Edith; Bolte, Michael; Schmidt, Martin U. Predicted crystal structures of tetramethylsilane and tetramethylgermane and an experimental low-temperature structure of tetramethylsilane Acta Crystallographica Section B, 2010, 66, 229-236 |
| 2104691 | CIF HKL Paper | C4 H9 N O2 | P 1 21 1 | 9.614; 5.227; 21.385 90; 100.326; 90 | 1057.2 | Görbitz, Carl Henrik <small>L</small>-2-Aminobutyric acid: two fully ordered polymorphs with <i>Z</i>' = 4 Acta Crystallographica Section B, 2010, 66, 253-259 |
| 2104692 | CIF HKL Paper | C4 H9 N O2 | I 1 2 1 | 9.646; 5.2145; 42.885 90; 100.295; 90 | 2122.3 | Görbitz, Carl Henrik <small>L</small>-2-Aminobutyric acid: two fully ordered polymorphs with <i>Z</i>' = 4 Acta Crystallographica Section B, 2010, 66, 253-259 |
| 2104693 | CIF HKL Paper | Ga0.25 O1.25 Zn0.75 | Cmmm(00\g)0s0 | 3.2465; 19.64; 3.0979 90; 90; 90 | 197.53 | Michiue, Yuichi; Kimizuka, Noboru Superspace description of the homologous series Ga~2~O~3~(ZnO)~<i>m~</i> Acta Crystallographica Section B, 2010, 66, 117-129 |
| 2104694 | CIF HKL Paper | Ga0.1818 O1.0909 Zn0.8181 | Cmcm(00\g)000 | 3.2494; 19.722; 3.0513 90; 90; 90 | 195.54 | Michiue, Yuichi; Kimizuka, Noboru Superspace description of the homologous series Ga~2~O~3~(ZnO)~<i>m~</i> Acta Crystallographica Section B, 2010, 66, 117-129 |
| 2104695 | CIF HKL Paper | H8 Na2 O23 Si8 Sr2 | C 1 2/c 1 | 22.7681; 6.9352; 13.5789 90; 92.578; 90 | 2141.96 | Cadoni, Marcella; Ferraris, Giovanni Two new silicate structures based on a rhodesite-type heteropolyhedral microporous framework Acta Crystallographica Section B, 2010, 66, 151-157 |
| 2104696 | CIF Paper | H8 Na4 O23 Si8 Sr | P 1 2/c 1 | 22.4102; 7.0292; 13.314 90; 92.538; 90 | 2095.24 | Cadoni, Marcella; Ferraris, Giovanni Two new silicate structures based on a rhodesite-type heteropolyhedral microporous framework Acta Crystallographica Section B, 2010, 66, 151-157 |
| 2104697 | CIF Paper | Ce H4.5 K0.26 Na2.74 O17.25 Si6 | C m m 2 | 7.4128; 30.9652; 7.1756 90; 90; 90 | 1647.08 | Cadoni, Marcella; Cheah, Yan Ling; Ferraris, Giovanni New RE microporous heteropolyhedral silicates containing 4^1^5^1^6^1^8^2^ tetrahedral sheets Acta Crystallographica Section B, 2010, 66, 158-164 |
| 2104698 | CIF Paper | H4.5 K0.28 La Na2.72 O17.25 Si6 | C m m 2 | 7.4217; 31.0393; 7.1962 90; 90; 90 | 1657.75 | Cadoni, Marcella; Cheah, Yan Ling; Ferraris, Giovanni New RE microporous heteropolyhedral silicates containing 4^1^5^1^6^1^8^2^ tetrahedral sheets Acta Crystallographica Section B, 2010, 66, 158-164 |
| 2104699 | CIF Paper | H4.5 La Na3 O17.25 Si6 | C m m 2 | 7.4153; 31.0018; 7.1532 90; 90; 90 | 1644.43 | Cadoni, Marcella; Cheah, Yan Ling; Ferraris, Giovanni New RE microporous heteropolyhedral silicates containing 4^1^5^1^6^1^8^2^ tetrahedral sheets Acta Crystallographica Section B, 2010, 66, 158-164 |
| 2104700 | CIF Paper | Eu0.32 H5.28 La0.68 Na2.74 O17.51 Si6 | C m m 2 | 7.3907; 30.8726; 7.1271 90; 90; 90 | 1626.19 | Cadoni, Marcella; Cheah, Yan Ling; Ferraris, Giovanni New RE microporous heteropolyhedral silicates containing 4^1^5^1^6^1^8^2^ tetrahedral sheets Acta Crystallographica Section B, 2010, 66, 158-164 |
| 2104701 | CIF HKL Paper | C20 H26 Cl2 Cu N6 O14 | P -1 | 7.1699; 13.2151; 17.3664 107.673; 96.0833; 103.76 | 1494.34 | Kilner, Colin A.; Halcrow, Malcolm A. Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition Acta Crystallographica Section B, 2010, 66, 206-212 |
| 2104702 | CIF HKL Paper | C20 H26 Cl2 Cu N6 O14 | P -1 | 7.1247; 13.1767; 17.2946 107.732; 96.0184; 103.566 | 1475.84 | Kilner, Colin A.; Halcrow, Malcolm A. Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition Acta Crystallographica Section B, 2010, 66, 206-212 |
| 2104703 | CIF HKL Paper | C20 H26 Cl2 Cu N6 O14 | P -1 | 7.0855; 13.1506; 17.251 107.936; 95.762; 103.432 | 1461.58 | Kilner, Colin A.; Halcrow, Malcolm A. Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition Acta Crystallographica Section B, 2010, 66, 206-212 |
| 2104704 | CIF HKL Paper | C20 H26 Cl2 Cu N6 O14 | P -1 | 6.897; 13.1061; 17.5747 107.295; 94.5678; 105.338 | 1440.99 | Kilner, Colin A.; Halcrow, Malcolm A. Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition Acta Crystallographica Section B, 2010, 66, 206-212 |
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