Crystallography Open Database

Result: there are 225 entries in the selection

Switch to the old layout of the page

Download 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: Structural Science' volume of publication is 66

Left arrow Left arrow First | Left arrow Previous 50 | of 5 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
2017772 CIF
HKL
Paper
Ga5.61 La3 O14 Ta0.41P 3 2 18.224; 8.224; 5.126
90; 90; 120
300.2Chitra, 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 Ta0.29P 3 2 18.195; 8.195; 5.118
90; 90; 120
297.7Chitra, 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 Zr0.5P 3 2 18.256; 8.256; 5.141
90; 90; 120
303.5Chitra, 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 O15.88P 21 21 2111.624; 16.748; 24.018
90; 90; 90
4675.8Holstein, 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 O2P 1 21/c 13.865; 19.424; 10.113
90; 92.56; 90
758.5Schmidt, 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 O2P 1 21/c 14.202; 20.956; 9.276
90; 100.63; 90
802.8Schmidt, 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 O2P -13.795; 9.527; 10.662
105.78; 93.27; 95.26
368.04Schmidt, 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 N6P -19.697; 12.2426; 13.9365
87.182; 81.257; 82.062
1618.9Lo 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 N6P -19.8236; 9.9337; 12.1088
92.421; 98.77; 107.011
1112Lo 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 O0.68P -112.2369; 12.5634; 13.0094
87.378; 68.153; 79.441
1824.4Lo 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 PP b c a8.977; 9.186; 10.003
90; 90; 90
824.9Janicki, 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 RhP 1 21/n 18.43502; 13.97075; 16.67516
90; 103.563; 90
1910.26Sparkes, 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 RhP 1 21/n 110.21309; 15.82275; 14.64123
90; 97.7784; 90
2344.24Sparkes, 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 Pb15P 310.22887; 10.22887; 10.66337
90; 90; 120
966.23Baikie, 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 Pb12P 310.13385; 10.13385; 10.52045
90; 90; 120
935.651Baikie, 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 Pb9P 310.08745; 10.08745; 10.40506
90; 90; 120
916.934Baikie, 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 Si12P 63/m10.0898; 10.0898; 13.2506
90; 90; 120
1168.24Baikie, 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 O2C m c m5.9672; 14.4798; 7.1105
90; 90; 90
614.37Udovenko, 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 O2P n m a7.1452; 5.8979; 14.2737
90; 90; 90
601.52Udovenko, 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 RbFddd(00\g)ss012.207; 20.1548; 3.9753
90; 90; 90
978.04Nuss, 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 RbFddd(00\g)ss012.1639; 20.1013; 3.9865
90; 90; 90
974.74Nuss, 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 Ti2.67P -3 c 15.059105; 5.059105; 32.53711
90; 90; 120
721.202Gemmi, 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 Ti1.5F d -3 m :28.36437; 8.36437; 8.36437
90; 90; 90
585.194Gemmi, 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 Si5P b c a13.58943; 13.57355; 13.62296
90; 90; 90
2512.85Bell, 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 Si20I a -3 d13.6322; 13.6322; 13.6322
90; 90; 90
2533.37Bell, 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 O2P 1 21/c 112.3794; 5.8723; 17.5615
90; 94.873; 90
1272.03Derollez, 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 S2P 1 21/n 18.7406; 15.4925; 24.5352
90; 91.2; 90
3321.7Omondi, 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 S2P 1 21/c 118.5885; 14.0668; 38.275
90; 96.551; 90
9942.8Omondi, 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 O4.6P b c a36.4368; 11.5998; 45.8014
90; 90; 90
19358.4Gallagher, 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 O4P -19.1028; 9.6826; 25.3805
83.683; 82.2; 89.46
2202.82Gallagher, 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 P2C2/m(\a0\g)-1s7.0192; 8.4063; 4.6264
90; 108.611; 90
258.708Li, 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 P2C2/m(\a0\g)0s7.0192; 8.4063; 4.6264
90; 108.611; 90
258.708Li, 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 W4.34I 4112.5576; 12.5576; 11.274
90; 90; 90
1777.83Sharma, 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 WP 1 21/n 15.8; 5.813; 8.207
90; 89.966; 90
276.7Madariaga, 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 O9C 1 2/m 115.3658; 5.72177; 10.9987
90; 135.237; 90
680.936Cong, 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 SiP n m a13.131; 8.198; 6.329
90; 90; 90
681.3Wolf, 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 O2P 1 21 19.614; 5.227; 21.385
90; 100.326; 90
1057.2Görbitz, 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 O2I 1 2 19.646; 5.2145; 42.885
90; 100.295; 90
2122.3Görbitz, 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 Zn0.75Cmmm(00\g)0s03.2465; 19.64; 3.0979
90; 90; 90
197.53Michiue, 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 Zn0.8181Cmcm(00\g)0003.2494; 19.722; 3.0513
90; 90; 90
195.54Michiue, 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 Sr2C 1 2/c 122.7681; 6.9352; 13.5789
90; 92.578; 90
2141.96Cadoni, 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 SrP 1 2/c 122.4102; 7.0292; 13.314
90; 92.538; 90
2095.24Cadoni, 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 Si6C m m 27.4128; 30.9652; 7.1756
90; 90; 90
1647.08Cadoni, 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 Si6C m m 27.4217; 31.0393; 7.1962
90; 90; 90
1657.75Cadoni, 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 Si6C m m 27.4153; 31.0018; 7.1532
90; 90; 90
1644.43Cadoni, 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 Si6C m m 27.3907; 30.8726; 7.1271
90; 90; 90
1626.19Cadoni, 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 O14P -17.1699; 13.2151; 17.3664
107.673; 96.0833; 103.76
1494.34Kilner, 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 O14P -17.1247; 13.1767; 17.2946
107.732; 96.0184; 103.566
1475.84Kilner, 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 O14P -17.0855; 13.1506; 17.251
107.936; 95.762; 103.432
1461.58Kilner, 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 O14P -16.897; 13.1061; 17.5747
107.295; 94.5678; 105.338
1440.99Kilner, 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

Left arrow Left arrow First | Left arrow Previous 50 | of 5 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!