Crystallography Open Database

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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

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