Crystallography Open Database

Result: there are 332 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' volume of publication is 70

Left arrow Left arrow First | Left arrow Previous 100 | of 4 | Next 100 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
2021434 CIF
HKL
Paper
O9 P2 ZrP 1 21/n 18.3593; 4.91233; 13.8705
90; 101.296; 90
558.54Readman, Jennifer E.; Lennie, Alistair; Hriljac, Joseph A.
In-situhigh-pressure powder X-ray diffraction study of α-zirconium phosphate
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2014, 70, 510-516
2105722 CIF
HKL
Paper
C13 H12 N2 O7P 1 21/c 17.2032; 6.9183; 27.515
90; 92.134; 90
1370.23Lombardo, Giuseppe M.; Rescifina, Antonio; Chiacchio, Ugo; Bacchi, Alessia; Punzo, Francesco
A top‒down approach to crystal engineering of a racemic Δ^2^-isoxazoline
Acta Crystallographica Section B, 2014, 70, 172-180
2105723 CIF
HKL
Paper
C13 H8 Br Co N O5P 1 21/c 17.1962; 10.0563; 18.748
90; 91.548; 90
1356.2Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I.
Distortions of a flexible metal-organic framework from substituted pendant ligands
Acta Crystallographica Section B, 2014, 70, 11-18
2105724 CIF
Paper
C14 H11 Co N O6P n m a7.1507; 18.1353; 11.6447
90; 90; 90
1510.09Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I.
Distortions of a flexible metal-organic framework from substituted pendant ligands
Acta Crystallographica Section B, 2014, 70, 11-18
2105725 CIF
Paper
C17 H11.5 Co N O5.25P n m a18.025; 7.184; 11.906
90; 90; 90
1542Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I.
Distortions of a flexible metal-organic framework from substituted pendant ligands
Acta Crystallographica Section B, 2014, 70, 11-18
2105726 CIF
Paper
C19 H13 Co N O5C 1 2/c 112.9936; 17.9026; 7.1797
90; 116.294; 90
1497.33Munn, Alexis S.; Clarkson, Guy J.; Walton, Richard I.
Distortions of a flexible metal-organic framework from substituted pendant ligands
Acta Crystallographica Section B, 2014, 70, 11-18
2105727 CIF
HKL
Paper
C12 H2 F8 N2P 1 21/n 16.21; 9.7294; 9.2163
90; 98.019; 90
551.4Saccone, Marco; Terraneo, Giancarlo; Pilati, Tullio; Cavallo, Gabriella; Priimagi, Arri; Metrangolo, Pierangelo; Resnati, Giuseppe
Azobenzene-based difunctional halogen-bond donor: towards the engineering of photoresponsive co-crystals
Acta Crystallographica Section B, 2014, 70, 149-156
2105728 CIF
Paper
C14 H6 F8 I2 N2 O SC 1 2/c 121.14; 10.0766; 9.5589
90; 111.347; 90
1896.5Saccone, Marco; Terraneo, Giancarlo; Pilati, Tullio; Cavallo, Gabriella; Priimagi, Arri; Metrangolo, Pierangelo; Resnati, Giuseppe
Azobenzene-based difunctional halogen-bond donor: towards the engineering of photoresponsive co-crystals
Acta Crystallographica Section B, 2014, 70, 149-156
2105729 CIF
Paper
C22 H8 F8 I2 N4P 1 21/c 15.9388; 8.293; 22.16
90; 95.371; 90
1086.6Saccone, Marco; Terraneo, Giancarlo; Pilati, Tullio; Cavallo, Gabriella; Priimagi, Arri; Metrangolo, Pierangelo; Resnati, Giuseppe
Azobenzene-based difunctional halogen-bond donor: towards the engineering of photoresponsive co-crystals
Acta Crystallographica Section B, 2014, 70, 149-156
2105730 CIF
Paper
C40 H26 F8 I2 N4 O2P -15.9758; 13.998; 21.989
80.264; 88.694; 81.381
1792.4Saccone, Marco; Terraneo, Giancarlo; Pilati, Tullio; Cavallo, Gabriella; Priimagi, Arri; Metrangolo, Pierangelo; Resnati, Giuseppe
Azobenzene-based difunctional halogen-bond donor: towards the engineering of photoresponsive co-crystals
Acta Crystallographica Section B, 2014, 70, 149-156
2105731 CIF
HKL
Paper
C14 H15 F3 N2 SP 1 21/c 113.074; 9.185; 12.652
90; 109.33; 90
1433.7Surov, Artem O.; Proshin, Alexey N.; Perlovich, German L.
Crystal structure analysis and sublimation thermodynamics of bicyclo derivatives of a neuroprotector family
Acta Crystallographica Section B, 2014, 70, 47-53
2105732 CIF
Paper
C13 H15 F N2 SP 1 21/c 17.586; 10.088; 16.566
90; 91.41; 90
1267.4Surov, Artem O.; Proshin, Alexey N.; Perlovich, German L.
Crystal structure analysis and sublimation thermodynamics of bicyclo derivatives of a neuroprotector family
Acta Crystallographica Section B, 2014, 70, 47-53
2105733 CIF
Paper
C14 H18 N2 SP b c a8.7377; 14.1088; 20.83
90; 90; 90
2567.89Surov, Artem O.; Proshin, Alexey N.; Perlovich, German L.
Crystal structure analysis and sublimation thermodynamics of bicyclo derivatives of a neuroprotector family
Acta Crystallographica Section B, 2014, 70, 47-53
2105734 CIF
HKL
Paper
C17 H20 O10.25P 1 21/c 111.2247; 8.366; 21.5073
90; 97.265; 90
2003.45Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger
Solvent‒guest control of two extremely similar tetrahydrofuran inclusion structures
Acta Crystallographica Section B, 2014, 70, 126-131
2105735 CIF
Paper
C18 H22 O10.5P 1 21/c 111.4634; 8.5336; 21.6678
90; 99.58; 90
2090.1Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger
Solvent‒guest control of two extremely similar tetrahydrofuran inclusion structures
Acta Crystallographica Section B, 2014, 70, 126-131
2105736 CIF
Paper
C12 H10 B2 O2P 21 21 214.8645; 13.054; 15.508
90; 90; 90
984.78Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof
Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes
Acta Crystallographica Section B, 2014, 70, 157-171
2105737 CIF
Paper
C12 H8 B2 F2 O2P 1 21/c 117.909; 3.779; 17.355
90; 117.51; 90
1041.7Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof
Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes
Acta Crystallographica Section B, 2014, 70, 157-171
2105738 CIF
HKL
Paper
C12 H8 B2 Cl2 O2P 1 21/n 17.3645; 3.8696; 20.125
90; 97.543; 90
568.55Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof
Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes
Acta Crystallographica Section B, 2014, 70, 157-171
2105739 CIF
Paper
C12 H8 B2 Br2 O2P 1 21/n 18.988; 3.905; 16.841
90; 96.11; 90
587.7Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof
Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes
Acta Crystallographica Section B, 2014, 70, 157-171
2105740 CIF
Paper
C8 H6 B2 O2 S2R -3 :H24.719; 24.719; 4.6681
90; 90; 120
2470.2Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof
Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes
Acta Crystallographica Section B, 2014, 70, 157-171
2105741 CIF
Paper
C11 H10 Cl2 Li N2 O5P -16.667; 10.495; 11.977
110.773; 99.693; 100.335
745.9Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija
Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state
Acta Crystallographica Section B, 2014, 70, 181-190
2105742 CIFC8 H4 Cl2 N2 O4 RbP 21 21 26.5088; 18.1788; 9.6194
90; 90; 90
1138.19Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija
Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state
Acta Crystallographica Section B, 2014, 70, 181-190
2105743 CIFC8 H4 Cl2 N2 O4 RbP 21 21 26.4217; 18.0295; 9.574
90; 90; 90
1108.48Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija
Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state
Acta Crystallographica Section B, 2014, 70, 181-190
2105744 CIFC8 H4 Cl2 Cs N2 O4P 21 21 26.6462; 18.2212; 9.7758
90; 90; 90
1183.87Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija
Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state
Acta Crystallographica Section B, 2014, 70, 181-190
2105745 CIF
HKL
C8 H4 Cl2 Cs N2 O4P 21 21 26.5601; 18.152; 9.7345
90; 90; 90
1159.17Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija
Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state
Acta Crystallographica Section B, 2014, 70, 181-190
2105746 CIF
HKL
Paper
C22 H26 N4 O4P 21 21 217.2598; 10.2744; 27.997
90; 90; 90
2088.3Bisht, Kamal Kumar; Patel, Priyank; Rachuri, Yadagiri; Eringathodi, Suresh
Binary co-crystals of the active pharmaceutical ingredient 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene and camphoric acid
Acta Crystallographica Section B, 2014, 70, 63-71
2105747 CIF
Paper
C56 H62 N12 O8P 1 21 19.9568; 12.914; 20.203
90; 95.734; 90
2584.7Bisht, Kamal Kumar; Patel, Priyank; Rachuri, Yadagiri; Eringathodi, Suresh
Binary co-crystals of the active pharmaceutical ingredient 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene and camphoric acid
Acta Crystallographica Section B, 2014, 70, 63-71
2105748 CIF
Paper
C56 H62 N12 O8P 1 21/n 19.9407; 12.9624; 20.247
90; 95.928; 90
2595Bisht, Kamal Kumar; Patel, Priyank; Rachuri, Yadagiri; Eringathodi, Suresh
Binary co-crystals of the active pharmaceutical ingredient 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene and camphoric acid
Acta Crystallographica Section B, 2014, 70, 63-71
2105749 CIF
HKL
Paper
C7 H5 Cl1.46 F0.54 N OP b c a8.522; 12.291; 14.309
90; 90; 90
1498.78Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus
Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides
Acta Crystallographica Section B, 2014, 70, 106-114
2105750 CIFC8.03 H8.1 Cl0.97 N OP b c a8.5073; 13.093; 14.448
90; 90; 90
1609.3Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus
Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides
Acta Crystallographica Section B, 2014, 70, 106-114
2105751 CIFC8.78 H10.35 Cl0.22 N SP b c a9.208; 13.142; 14.617
90; 90; 90
1768.83Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus
Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides
Acta Crystallographica Section B, 2014, 70, 106-114
2105752 CIFC13 H19 N O0.5 S0.5P 1 21/c 19.022; 9.003; 16.005
90; 103.17; 90
1265.8Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus
Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides
Acta Crystallographica Section B, 2014, 70, 106-114
2105753 CIF
Paper
C13 H13 Cl N4 O6 S2P 21 21 217.368; 13.121; 16.247
90; 90; 90
1570.7Sanphui, Palash; Rajput, Lalit
Tuning solubility and stability of hydrochlorothiazide co-crystals
Acta Crystallographica Section B, 2014, 70, 81-90
2105754 CIF
HKL
Paper
C13 H14 Cl N5 O5 S2P 21 21 217.6531; 13.2192; 16.148
90; 90; 90
1633.7Sanphui, Palash; Rajput, Lalit
Tuning solubility and stability of hydrochlorothiazide co-crystals
Acta Crystallographica Section B, 2014, 70, 81-90
2105755 CIF
Paper
C18 H24 Cl2 N8 O10 S4C 1 2/c 117.857; 10.363; 14.548
90; 96.459; 90
2675Sanphui, Palash; Rajput, Lalit
Tuning solubility and stability of hydrochlorothiazide co-crystals
Acta Crystallographica Section B, 2014, 70, 81-90
2105756 CIF
Paper
C21 H22 Cl N5 O8 S2P 1 21/c 112.7042; 10.8626; 18.5745
90; 110.905; 90
2394.6Sanphui, Palash; Rajput, Lalit
Tuning solubility and stability of hydrochlorothiazide co-crystals
Acta Crystallographica Section B, 2014, 70, 81-90
2105757 CIF
Paper
C3 H19 F N O18 P3 U2C 1 2/c 125.8297; 8.756; 17.7432
90; 99.951; 90
3952.5Monteiro, Bernardo; Fernandes, José A.; Pereira, Cláudia C. L.; Vilela, Sérgio M. F.; Tomé, João P. C.; Marçalo, Joaquim; Almeida Paz, Filipe A.
Metal-organic frameworks based on uranyl and phosphonate ligands
Acta Crystallographica Section B, 2014, 70, 28-36
2105758 CIF
Paper
C8 H10 O8 P2 UP 1 21/c 110.9522; 6.4691; 9.2802
90; 96.333; 90
653.5Monteiro, Bernardo; Fernandes, José A.; Pereira, Cláudia C. L.; Vilela, Sérgio M. F.; Tomé, João P. C.; Marçalo, Joaquim; Almeida Paz, Filipe A.
Metal-organic frameworks based on uranyl and phosphonate ligands
Acta Crystallographica Section B, 2014, 70, 28-36
2105759 CIF
HKL
Paper
C9 H28 O20 P3 U1.5P -18.7982; 11.8876; 12.6446
95.219; 106.752; 96.98
1245.89Monteiro, Bernardo; Fernandes, José A.; Pereira, Cláudia C. L.; Vilela, Sérgio M. F.; Tomé, João P. C.; Marçalo, Joaquim; Almeida Paz, Filipe A.
Metal-organic frameworks based on uranyl and phosphonate ligands
Acta Crystallographica Section B, 2014, 70, 28-36
2105760 CIF
HKL
Paper
C26 H38 N2 O10P 1 21/n 110.3947; 17.5546; 47.27
90; 91.321; 90
8623.3Boardman, Nicole D.; Munshi, Tasnim; Scowen, Ian J.; Seaton, Colin C.
Creation of a ternary complex between a crown ether, 4-aminobenzoic acid and 3,5-dinitrobenzoic acid
Acta Crystallographica Section B, 2014, 70, 132-140
2105761 CIFC33 H39 N5 O20P -17.6055; 16.0157; 16.4476
73.156; 85.54; 89.562
1911.45Boardman, Nicole D.; Munshi, Tasnim; Scowen, Ian J.; Seaton, Colin C.
Creation of a ternary complex between a crown ether, 4-aminobenzoic acid and 3,5-dinitrobenzoic acid
Acta Crystallographica Section B, 2014, 70, 132-140
2105762 CIF
Paper
C34 H36 N6 Ni O8 S2P 1 21 111.8719; 14.1629; 21.9663
90; 95.342; 90
3677.4Soliman, Saied M.; Elzawy, Zahia B.; Abu-Youssef, Morsy A. M.; Albering, Jörg; Gatterer, Karl; Öhrström, Lars; Kettle, Sidney F. A.
Towards the chemical control of molecular packing: syntheses and crystal structures of three <i>trans</i>-[Ni<i>L</i>~4~(NCS)~2~] complexes
Acta Crystallographica Section B, 2014, 70, 115-125
2105763 CIF
Paper
C30 H28 N6 Ni O8 S2P 1 21/n 111.8991; 51.4066; 14.1366
90; 99.498; 90
8528.7Soliman, Saied M.; Elzawy, Zahia B.; Abu-Youssef, Morsy A. M.; Albering, Jörg; Gatterer, Karl; Öhrström, Lars; Kettle, Sidney F. A.
Towards the chemical control of molecular packing: syntheses and crystal structures of three <i>trans</i>-[Ni<i>L</i>~4~(NCS)~2~] complexes
Acta Crystallographica Section B, 2014, 70, 115-125
2105764 CIF
HKL
Paper
C50 H36 N6 Ni O4 S2P 1 21/c 18.9345; 20.8306; 11.1406
90; 90.66; 90
2073.25Soliman, Saied M.; Elzawy, Zahia B.; Abu-Youssef, Morsy A. M.; Albering, Jörg; Gatterer, Karl; Öhrström, Lars; Kettle, Sidney F. A.
Towards the chemical control of molecular packing: syntheses and crystal structures of three <i>trans</i>-[Ni<i>L</i>~4~(NCS)~2~] complexes
Acta Crystallographica Section B, 2014, 70, 115-125
2105765 CIF
Paper
C86 H96 Ag22 F48 O44 S12C 1 2/c 122.076; 14.793; 45.863
90; 93.501; 90
14950Hau, 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
2105766 CIF
Paper
C89 H102 Ag22 F48 O44 S12C 1 2/c 121.9927; 14.8488; 45.797
90; 93.937; 90
14920.4Hau, 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
2105767 CIF
HKL
Paper
C32 H42 Ag7 F15 O15 S5C 1 c 117.8567; 21.007; 16.044
90; 117.802; 90
5323.6Hau, 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
2105768 CIF
Paper
C31 H38 Ag7 F15 O14 S4P 113.435; 13.8806; 16.3609
110.194; 106.492; 104.003
2542.2Hau, 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
2105769 CIF
Paper
C20 H12 Ag7 F15 O12C 1 2/c 123.394; 13.9512; 10.792
90; 102.214; 90
3442.5Hau, 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
2105770 CIF
Paper
C43 H25 Ag9 F27 N3 O18P 1 21 18.9453; 24.902; 14.4248
90; 105.016; 90
3103.5Hau, 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
2105771 CIF
Paper
C40 H24 Ag7 F15 N4 O10P -112.427; 14.132; 16.384
96.481; 108.935; 115.229
2353.5Hau, 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
2105772 CIF
Paper
C26 H9 Ag11 Br2 F27 N O21P b c a16.861; 24.431; 26.723
90; 90; 90
11008Hau, 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
2105773 CIF
HKL
Paper
C7 H17 Eu O11P -18.0917; 8.868; 10.115
86.994; 73.002; 68.172
643.1Cañadillas-Delgado, Laura; Fabelo, Óscar; Pasán, Jorge; Déniz, Mariadel; Martínez-Benito, Carla; Díaz-Gallifa, Pau; Martín, Tomás; Ruiz-Pérez, Catalina
Three new europium(III) methanetriacetate metal-organic frameworks: the influence of synthesis on the product topology
Acta Crystallographica Section B, 2014, 70, 19-27
2105774 CIF
HKL
Paper
C7 H11 Eu O8P c a 2117.4543; 7.8087; 14.9761
90; 90; 90
2041.2Cañadillas-Delgado, Laura; Fabelo, Óscar; Pasán, Jorge; Déniz, Mariadel; Martínez-Benito, Carla; Díaz-Gallifa, Pau; Martín, Tomás; Ruiz-Pérez, Catalina
Three new europium(III) methanetriacetate metal-organic frameworks: the influence of synthesis on the product topology
Acta Crystallographica Section B, 2014, 70, 19-27
2105775 CIF
Paper
C7 H11 Eu O8P b c n14.1085; 7.7825; 18.0083
90; 90; 90
1977.3Cañadillas-Delgado, Laura; Fabelo, Óscar; Pasán, Jorge; Déniz, Mariadel; Martínez-Benito, Carla; Díaz-Gallifa, Pau; Martín, Tomás; Ruiz-Pérez, Catalina
Three new europium(III) methanetriacetate metal-organic frameworks: the influence of synthesis on the product topology
Acta Crystallographica Section B, 2014, 70, 19-27
2105776 CIF
Paper
C12 H8 I2 N2 S6P b c a14.607; 12.0315; 20.9654
90; 90; 90
3684.55Lieffrig, Julien; Jeannin, Olivier; Vacher, Antoine; Lorcy, Dominique; Auban-Senzier, Pascale; Fourmigué, Marc
C—I···NC halogen bonding in two polymorphs of the mixed-valence 2:1 charge-transfer salt (EDT-TTF-I~2~)~2~(TCNQF~4~), with segregated <i>versus</i> alternated stacks
Acta Crystallographica Section B, 2014, 70, 141-148
2105777 CIF
Paper
C8 H4 I2 S6P n m a17.3371; 12.6274; 6.3276
90; 90; 90
1385.25Lieffrig, Julien; Jeannin, Olivier; Vacher, Antoine; Lorcy, Dominique; Auban-Senzier, Pascale; Fourmigué, Marc
C—I···NC halogen bonding in two polymorphs of the mixed-valence 2:1 charge-transfer salt (EDT-TTF-I~2~)~2~(TCNQF~4~), with segregated <i>versus</i> alternated stacks
Acta Crystallographica Section B, 2014, 70, 141-148
2105778 CIF
HKL
Paper
C28 H8 F4 I4 N4 S12P -14.8311; 12.0457; 16.6577
91.128; 92.95; 94.213
965.21Lieffrig, Julien; Jeannin, Olivier; Vacher, Antoine; Lorcy, Dominique; Auban-Senzier, Pascale; Fourmigué, Marc
C—I···NC halogen bonding in two polymorphs of the mixed-valence 2:1 charge-transfer salt (EDT-TTF-I~2~)~2~(TCNQF~4~), with segregated <i>versus</i> alternated stacks
Acta Crystallographica Section B, 2014, 70, 141-148
2105779 CIF
HKL
Paper
C28 H8 F4 I4 N4 S12P -111.003; 12.7689; 14.9201
104.906; 106.449; 95.863
1907.83Lieffrig, Julien; Jeannin, Olivier; Vacher, Antoine; Lorcy, Dominique; Auban-Senzier, Pascale; Fourmigué, Marc
C—I···NC halogen bonding in two polymorphs of the mixed-valence 2:1 charge-transfer salt (EDT-TTF-I~2~)~2~(TCNQF~4~), with segregated <i>versus</i> alternated stacks
Acta Crystallographica Section B, 2014, 70, 141-148
2105780 CIF
HKL
Paper
C15 H17 N5 O4P -18.4853; 13.424; 14.8856
111.725; 92.8464; 93.5278
1567.35Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William
Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid
Acta Crystallographica Section B, 2014, 70, 72-80
2105781 CIF
HKL
C15 H17 N5 O4P n a 2114.53798; 11.0793; 10.02456
90; 90; 90
1614.66Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William
Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid
Acta Crystallographica Section B, 2014, 70, 72-80
2105782 CIF
HKL
C36 H39 Cl N10 O8P -112.439; 13.1409; 13.2251
69.439; 80.418; 63.557
1812.17Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William
Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid
Acta Crystallographica Section B, 2014, 70, 72-80
2105783 CIF
HKL
C36 H39 Br N10 O8P -112.569; 13.409; 13.269
68.991; 80.215; 64.007
1876.3Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William
Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid
Acta Crystallographica Section B, 2014, 70, 72-80
2105784 CIF
HKL
C37 H42 N10 O8P -112.475; 13.488; 13.316
68.318; 79.948; 64.124
1873Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William
Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid
Acta Crystallographica Section B, 2014, 70, 72-80
2105785 CIF
HKL
C22 H25 N5 O4P -16.7113; 13.5803; 23.579
87.1; 88.572; 86.065
2140.7Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William
Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid
Acta Crystallographica Section B, 2014, 70, 72-80
2105786 CIF
HKL
C23 H27 N5 O4P 1 21/n 113.8492; 6.789; 23.396
90; 92.26; 90
2198.03Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William
Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid
Acta Crystallographica Section B, 2014, 70, 72-80
2105787 CIF
HKL
C27 H32 N5 O4P -16.8474; 13.431; 14.44
77.009; 86.596; 88.687
1291.7Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William
Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid
Acta Crystallographica Section B, 2014, 70, 72-80
2105788 CIF
HKL
C15 H19 N5 O5P 1 21/c 110.2641; 26.9469; 11.9845
90; 103.547; 90
3222.52Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William
Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid
Acta Crystallographica Section B, 2014, 70, 72-80
2105789 CIF
HKL
C14 H15 N5 O4P 1 21/c 16.5769; 21.905; 11.0496
90; 112.912; 90
1466.3Madusanka, Nadeesh; Eddleston, Mark D.; Arhangelskis, Mihails; Jones, William
Polymorphs, hydrates and solvates of a co-crystal of caffeine with anthranilic acid
Acta Crystallographica Section B, 2014, 70, 72-80
2105792 CIF
HKL
Paper
H9 K9 O33 S8P 1 21/c 17.0685; 19.792; 23.4724
90; 95.372; 90
3269.4Makarova, Irina; Grebenev, Vadim; Dmitricheva, Elena; Dolbinina, Valentina; Chernyshov, Dmitry
<i>M~m~</i>H~<i>n~</i>(<i>X</i>O~4~)~(<i>m~+{ıt n</i>)/2} crystals: structure, phase transitions, hydrogen bonds, conductivity. I. K~9~H~7~(SO~4~)~8~·H~2~O crystals ‒ a new representative of the family of solid acid conductors
Acta Crystallographica Section B, 2014, 70, 218-226
2105793 CIF
HKL
Paper
H7 K9 O32 S8P c a n7.1474; 19.7761; 23.2542
90; 90; 90
3286.93Makarova, Irina; Grebenev, Vadim; Dmitricheva, Elena; Dolbinina, Valentina; Chernyshov, Dmitry
<i>M~m~</i>H~<i>n~</i>(<i>X</i>O~4~)~(<i>m~+{ıt n</i>)/2} crystals: structure, phase transitions, hydrogen bonds, conductivity. I. K~9~H~7~(SO~4~)~8~·H~2~O crystals ‒ a new representative of the family of solid acid conductors
Acta Crystallographica Section B, 2014, 70, 218-226
2105794 CIF
HKL
Paper
Ba2 Ca0.07 Cu3 O6.85 Y0.93P m m m3.8114; 3.8712; 11.6824
90; 90; 90
172.37Bertolotti, Federica; Calore, Leandro; Gervasio, Giuliana; Agostino, Angelo; Truccato, Marco; Operti, Lorenza
X-ray crystal structures of Al-doped (Y,Ca)Ba~2~Cu~3~O~7{-~<i>y</i>} whiskers
Acta Crystallographica Section B, 2014, 70, 236-242
2105795 CIF
HKL
Al0.06 Ba2 Ca0.06 Cu2.94 O6.81 Y0.94P m m m3.838; 3.8735; 11.6947
90; 90; 90
173.859Bertolotti, Federica; Calore, Leandro; Gervasio, Giuliana; Agostino, Angelo; Truccato, Marco; Operti, Lorenza
X-ray crystal structures of Al-doped (Y,Ca)Ba~2~Cu~3~O~7{-~<i>y</i>} whiskers
Acta Crystallographica Section B, 2014, 70, 236-242
2105796 CIF
HKL
Al0.3 Ba1.92 Ca0.2 Cu2.7 O6.76 Y0.88P 4/m m m3.8595; 3.8595; 11.6456
90; 90; 90
173.47Bertolotti, Federica; Calore, Leandro; Gervasio, Giuliana; Agostino, Angelo; Truccato, Marco; Operti, Lorenza
X-ray crystal structures of Al-doped (Y,Ca)Ba~2~Cu~3~O~7{-~<i>y</i>} whiskers
Acta Crystallographica Section B, 2014, 70, 236-242
2105797 CIF
HKL
Paper
C6 H7 N3 OP 21 21 213.7601; 11.2911; 14.6877
90; 90; 90
623.58Rajalakshmi, Gnanasekaran; Hathwar, Venkatesha R.; Kumaradhas, Poomani
Topological analysis of electron density and the electrostatic properties of isoniazid: an experimental and theoretical study
Acta Crystallographica Section B, 2014, 70, 331-341
2105798 CIF
HKL
Paper
K La S2R -3 m :H4.2651; 4.2651; 21.929
90; 90; 120
345.47Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel
Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series
Acta Crystallographica Section B, 2014, 70, 360-371
2105799 CIF
HKL
Paper
K Pr S2R -3 m :H4.1925; 4.1925; 21.892
90; 90; 120
333.24Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel
Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series
Acta Crystallographica Section B, 2014, 70, 360-371
2105800 CIF
HKL
Paper
Eu K S2R -3 m :H4.0981; 4.0981; 21.8212
90; 90; 120
317.38Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel
Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series
Acta Crystallographica Section B, 2014, 70, 360-371
2105801 CIF
HKL
Paper
Gd K S2R -3 m :H4.0715; 4.0715; 21.901
90; 90; 120
314.42Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel
Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series
Acta Crystallographica Section B, 2014, 70, 360-371
2105802 CIF
HKL
Paper
K Lu S2R -3 m :H3.949; 3.949; 21.871
90; 90; 120
295.37Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel
Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series
Acta Crystallographica Section B, 2014, 70, 360-371
2105803 CIF
HKL
Paper
K S2 YR -3 m :H4.0216; 4.0216; 21.884
90; 90; 120
306.52Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel
Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series
Acta Crystallographica Section B, 2014, 70, 360-371
2105804 CIF
HKL
Paper
Rb S2 YR -3 m :H4.0444; 4.0444; 22.8267
90; 90; 120
323.36Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel
Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series
Acta Crystallographica Section B, 2014, 70, 360-371
2105805 CIF
HKL
Paper
La Na S2F m -3 m5.8766; 5.8766; 5.8766
90; 90; 90
202.95Fábry, Jan; Havlák, Lubomír; Dušek, Michal; Vaněk, Přemysl; Drahokoupil, Jan; Jurek, Karel
Structure determination of KLaS~2~, KPrS~2~, KEuS~2~, KGdS~2~, KLuS~2~, KYS~2~, RbYS~2~, NaLaS~2~ and crystal-chemical analysis of the group 1 and thallium(I) rare-earth sulfide series
Acta Crystallographica Section B, 2014, 70, 360-371
2105806 CIF
Paper
Fe13 Zn126P 63/m m c12.8297; 12.8297; 57.286
90; 90; 120
8166.1Okamoto, Norihiko L.; Tanaka, Katsushi; Yasuhara, Akira; Inui, Haruyuki
Structure refinement of the δ~1<i>p~</i> phase in the Fe‒Zn system by single-crystal X-ray diffraction combined with scanning transmission electron microscopy
Acta Crystallographica Section B, 2014, 70, 275-282
2105807 CIF
Paper
C12 H17 Cl N2 SP 1 21/c 111.587; 8.7174; 14.8813
90; 115.147; 90
1360.67Zvirgzdins, Alvis; Mishnev, Anatolijs; Actins, Andris
Structure determination of three polymorphs of xylazine from laboratory powder diffraction data
Acta Crystallographica Section B, 2014, 70, 342-346
2105808 CIF
Paper
C12 H17 Cl N2 SP 1 21/n 112.45; 11.6223; 9.3622
90; 97.41; 90
1343.37Zvirgzdins, Alvis; Mishnev, Anatolijs; Actins, Andris
Structure determination of three polymorphs of xylazine from laboratory powder diffraction data
Acta Crystallographica Section B, 2014, 70, 342-346
2105809 CIF
Paper
C12 H17 Cl N2 SP 1 21/c 112.1155; 8.3857; 13.5322
90; 94.921; 90
1369.8Zvirgzdins, Alvis; Mishnev, Anatolijs; Actins, Andris
Structure determination of three polymorphs of xylazine from laboratory powder diffraction data
Acta Crystallographica Section B, 2014, 70, 342-346
2105810 CIF
Paper
Li Zn3.175C m c m2.7679; 4.7942; 4.3864
90; 90; 90
58.207Pavlyuk, Volodymyr; Chumak, Ihor; Akselrud, Lev; Lidin, Sven; Ehrenberg, Helmut
LiZn~4{-~<i>x</i>} (<i>x</i> = 0.825) as a (3+1)-dimensional modulated derivative of hexagonal close packing
Acta Crystallographica Section B, 2014, 70, 212-217
2105811 CIF
HKL
Paper
C29 H34 Cl2 N2 O2P 1 21/c 116.70954; 12.37731; 13.21351
90; 101.642; 90
2676.59Habermehl, Stefan; Mörschel, Philipp; Eisenbrandt, Pierre; Hammer, Sonja M.; Schmidt, Martin U.
Structure determination from powder data without prior indexing, using a similarity measure based on cross-correlation functions
Acta Crystallographica Section B, 2014, 70, 347-359
2105812 CIF
HKL
Paper
C38 H69 N O13P 21 21 2120.14922; 23.95453; 8.85344
90; 90; 90
4273.25Habermehl, Stefan; Mörschel, Philipp; Eisenbrandt, Pierre; Hammer, Sonja M.; Schmidt, Martin U.
Structure determination from powder data without prior indexing, using a similarity measure based on cross-correlation functions
Acta Crystallographica Section B, 2014, 70, 347-359
2105813 CIF
HKL
Paper
Cu2 S4 Sn ZnI -4 2 m5.4353; 5.4353; 10.8464
90; 90; 90
320.43Lafond, Alain; Choubrac, Léo; Guillot-Deudon, Catherine; Fertey, Pierre; Evain, Michel; Jobic, Stéphane
X-ray resonant single-crystal diffraction technique, a powerful tool to investigate the kesterite structure of the photovoltaic Cu~2~ZnSnS~4~ compound
Acta Crystallographica Section B, 2014, 70, 390-394
2105816 CIF
HKL
Paper
Al28 Si20 U16I 4/m m m8.3471; 8.3471; 16.809
90; 90; 90
1171.2Rafailov, Gennady; Dahan, Isaac; Meshi, Louisa
New ordered phase in the quasi-binary UAl~3~‒USi~3~ system
Acta Crystallographica Section B, 2014, 70, 580-585
2105817 CIFC5 H5 N3 OP 1 21/n 13.6173; 6.7413; 22.4625
90; 92.395; 90
547.28Rajalakshmi, Gnanasekaran; Hathwar, Venkatesha R.; Kumaradhas, Poomani
Intermolecular interactions, charge-density distribution and the electrostatic properties of pyrazinamide anti-TB drug molecule: an experimental and theoretical charge-density study
Acta Crystallographica Section B, 2014, 70, 568-579
2105818 CIF
Paper
C28 H32 F2 N6 O6.5 S0.5P 21 21 210.9169; 33.039; 7.9038
90; 90; 90
2850.8Chan, E. J.; Gao, Q.; Dabros, M.
Understanding the structure details when drying hydrate crystals of pharmaceuticals ‒ interpretations from diffuse scattering and inter-modulation satellites of a partially dehydrated crystal
Acta Crystallographica Section B, 2014, 70, 555-567
2105819 CIF
Paper
C12 H8 Ag2 Fe N8P c c n14.895; 8.106; 13.285
90; 90; 90
1604Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio
Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction
Acta Crystallographica Section B, 2014, 70, 436-443
2105820 CIFC12 H8 Ag2 Fe N8P c c n14.895; 8.122; 13.288
90; 90; 90
1607.5Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio
Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction
Acta Crystallographica Section B, 2014, 70, 436-443
2105821 CIFC12 H8 Ag2 Fe N8P c c n15.782; 8.424; 13.32
90; 90; 90
1770.9Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio
Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction
Acta Crystallographica Section B, 2014, 70, 436-443
2105822 CIFC12 H8 Ag2 Fe N8P c c n15.782; 8.235; 13.319
90; 90; 90
1731Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio
Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction
Acta Crystallographica Section B, 2014, 70, 436-443
2105823 CIFC12 H8 Ag2 Fe N8P c c n15.78; 8.25; 13.35
90; 90; 90
1738Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio
Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction
Acta Crystallographica Section B, 2014, 70, 436-443
2105824 CIFC12 H8 Ag2 Fe N8P c c n14.895; 8.125; 13.286
90; 90; 90
1607.9Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio
Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction
Acta Crystallographica Section B, 2014, 70, 436-443

Left arrow Left arrow First | Left arrow Previous 100 | of 4 | Next 100 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!