Crystallography Open Database

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9017916 CIFFe H5 O7 SP 21 21 217.2226; 7.393; 20.0542
90; 90; 90		1070.83Plasil, J.; Petricek, V.; Majzlan, J.
A commensurately modulated structure of parabutlerite, Fe3+SO4(OH)*2H2O
Acta Crystallographica, Section B, 2017, 73, 856-862
2311805 CIFC14 H26 N2 O9P 1 21/n 117.283; 5.7371; 18.561
90; 108.274; 90		1747.6Mora, Asiloé J; Belandria, Lusbely M.; Delgado, Gerzon E.; Seijas, Luis E.; Lunar, Angel; Almeida, Rafael
Non-covalent interactions in the multicomponent crystal of 1-aminocyclopentane carboxylic acid, oxalic acid and water: a crystallographic and a theoretical approach.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 968-980
2311804 CIFC12 H13 N3 O4 SP -17.6458; 9.9985; 18.027
103.727; 92.711; 91.656		1336.1Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhowmick, Sourav; Thakuria, Ranjit
First-line antituberculosis drug, pyrazinamide, its pharmaceutically relevant cocrystals and a salt.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 1007-1016
2311803 CIFC15 H15 N3 O5P -17.4159; 10.169; 11.0335
70.471; 76.142; 78.253		754.4Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhowmick, Sourav; Thakuria, Ranjit
First-line antituberculosis drug, pyrazinamide, its pharmaceutically relevant cocrystals and a salt.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 1007-1016
2311802 CIFC12 H11 N3 O5P 1 21/c 15.0262; 25.2701; 9.7106
90; 97.492; 90		1222.84Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhowmick, Sourav; Thakuria, Ranjit
First-line antituberculosis drug, pyrazinamide, its pharmaceutically relevant cocrystals and a salt.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 1007-1016
2311801 CIFC12 H11 N3 O5P 1 21/c 110.0839; 5.0936; 23.335
90; 99.605; 90		1181.8Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhowmick, Sourav; Thakuria, Ranjit
First-line antituberculosis drug, pyrazinamide, its pharmaceutically relevant cocrystals and a salt.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 1007-1016
2311800 CIFC12 H11 N3 O5P 1 21/c 17.7759; 6.7421; 23.996
90; 95.224; 90		1252.8Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhowmick, Sourav; Thakuria, Ranjit
First-line antituberculosis drug, pyrazinamide, its pharmaceutically relevant cocrystals and a salt.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 1007-1016
2311799 CIFC69 H86 Al2 Cl2 Hg3 I6 N6 O23.18C 1 2/c 132.1651; 13.8294; 27.6145
90; 124.917; 90		10072.3Truong, Khai Nghi; Merkens, Carina; Englert, Ulli
3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 981-991
2311798 CIFC84 H80 Al2 Br8 Cl4 Hg4 N6 O17P 1 21/c 116.7982; 24.3995; 13.9346
90; 107.435; 90		5448.9Truong, Khai Nghi; Merkens, Carina; Englert, Ulli
3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 981-991
2311797 CIFC10 H11 Hg I2 N O2P b c a7.0546; 14.2685; 27.4248
90; 90; 90		2760.5Truong, Khai Nghi; Merkens, Carina; Englert, Ulli
3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 981-991
2311796 CIFC20 H22 Br2 Hg N2 O4C 1 2/c 126.6909; 6.5248; 16.07
90; 126.946; 90		2236.7Truong, Khai Nghi; Merkens, Carina; Englert, Ulli
3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 981-991
2311795 CIFC10 H11 Br2 Hg N O2P b c a6.8597; 13.9425; 26.7054
90; 90; 90		2554.1Truong, Khai Nghi; Merkens, Carina; Englert, Ulli
3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 981-991
2311794 CIFC20 H22 Cl2 Hg N2 O4C 1 2/c 126.0002; 6.4821; 16.196
90; 127.176; 90		2174.9Truong, Khai Nghi; Merkens, Carina; Englert, Ulli
3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 981-991
2311793 CIFC10 H11 Cl2 Hg N O2P 1 21/c 17.0762; 25.964; 7.445
90; 118.506; 90		1202Truong, Khai Nghi; Merkens, Carina; Englert, Ulli
3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 981-991
2311792 CIFAl3 Cu6 O30 S SbP -17.766; 8.759; 11.306
108.67; 83.41; 126.64		581.7Mills, Stuart J.; Christy, Andrew G.; Favreau, Georges; Galea-Clolus, Valérie
Multidimensional structural variation in the cyanotrichite family of merotypes: camerolaite-3b-Fβar 1.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 950-955
2311791 CIFC14 H26 N4 S7 Sn3P 21 21 213.1724; 22.2035; 8.9383
90; 90; 90		2614.2Filsø, Mette Ø; Chaaban, Iman; Al Shehabi, Amer; Skibsted, Jørgen; Lock, Nina
The structure-directing amine changes everything: structures and optical properties of two-dimensional thiostannates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 931-940
2311790 CIFC14 H26 N4 S7 Sn3P 21 21 213.2299; 22.2673; 9.0772
90; 90; 90		2674.09Filsø, Mette Ø; Chaaban, Iman; Al Shehabi, Amer; Skibsted, Jørgen; Lock, Nina
The structure-directing amine changes everything: structures and optical properties of two-dimensional thiostannates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 931-940
2311789 CIFS28 Sn12P 63/m m c13.2748; 13.2748; 19.1521
90; 90; 120		2922.83Filsø, Mette Ø; Chaaban, Iman; Al Shehabi, Amer; Skibsted, Jørgen; Lock, Nina
The structure-directing amine changes everything: structures and optical properties of two-dimensional thiostannates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 931-940
2311788 CIFF18 K36 O108 Sc18 Si36P 1 2/m 126.785; 8.2451; 26.824
90; 90; 90		5923.9Hejny, C.; Bindi, L.
Low-temperature behaviour of K<sub>2</sub>Sc[Si<sub>2</sub>O<sub>6</sub>]F: determination of the lock-in phase and its relationships with fresnoite- and melilite-type compounds.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 923-930
2311787 CIFBa2 F2 Lu2 O12 Si4P -15.451; 7.1227; 8.8937
107.73; 101.81; 93.01		319.5Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.
Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311786 CIFBa2 F2 O12 Si4 Yb2P -15.4461; 7.1212; 8.9128
107.798; 101.866; 92.9455		319.66Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.
Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311785 CIFBa2 F2 O12 Si4 Tm2P -15.4609; 7.1258; 8.9379
107.809; 101.987; 92.866		321.5Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.
Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311784 CIFBa2 Er2 F2 O12 Si4P -15.476; 7.166; 8.958
108.138; 102.03; 92.742		324.3Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.
Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311783 CIFBa2 Ho2 O13 Si4C 1 2/c 112.8127; 5.1934; 17.514
90; 103.971; 90		1130.9Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.
Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311782 CIFBa2 Dy2 O13 Si4C 1 2/c 112.8478; 5.202; 17.525
90; 104.077; 90		1136.1Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.
Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311781 CIFBa2 O13 Si4 Tb2C 1 2/c 112.8568; 5.2019; 17.5243
90; 104.147; 90		1136.48Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.
Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311780 CIFBa2 Eu2 O13 Si4C 1 2/c 112.9545; 5.2311; 17.595
90; 104.23; 90		1155.8Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.
Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311779 CIFBa2 O13 Si4 Sm2C 1 2/c 112.9961; 5.2355; 17.626
90; 104.148; 90		1162.9Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.
Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311778 CIFBa2 O13 Pr2 Si4P -16.688; 8.953; 10.1324
86.5023; 73.5481; 86.2929		580.07Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.
Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311777 CIFBa2 Ce2 O13 Si4P -16.7062; 8.9719; 10.1565
86.6118; 73.5658; 86.4609		584.45Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.
Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311776 CIF
Paper		Ba2 La2 O13 Si4P -16.7327; 8.9894; 10.2191
86.6588; 73.566; 86.5873		591.62Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.
Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 907-915
2311775 CIFC22 H28 N4 O4C m c m10.1958; 7.3592; 28.718
90; 90; 90		2154.8Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 879-890
2311774 CIFC22 H28 N4 O4C m c m10.1948; 7.3566; 28.679
90; 90; 90		2150.9Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 879-890
2311773 CIFC22 H28 N4 O4P 1 21/n 16.202; 28.482; 12.225
90; 100.276; 90		2124.9Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 879-890
2311772 CIFC22 H28 N4 O4P 1 21/n 16.1425; 28.085; 12.1822
90; 99.6957; 90		2071.6Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 879-890
2311771 CIFC20 H24 N4 O4F m m 210.1732; 27.291; 7.2049
90; 90; 90		2000.3Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 879-890
2311770 CIFC20 H24 N4 O4F m m 210.1464; 27.166; 7.1898
90; 90; 90		1981.8Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 879-890
2311769 CIFC20 H24 N4 O4F m m 210.1183; 27.015; 7.1684
90; 90; 90		1959.5Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 879-890
2311768 CIFC20 H24 N4 O4P 1 n 16.1457; 26.765; 12.0716
90; 99.654; 90		1957.5Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 879-890
2311767 CIFC20 H24 N4 O4P 1 n 16.1398; 26.721; 12.0772
90; 99.554; 90		1953.9Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 879-890
2311766 CIFC20 H24 N4 O4P 1 n 16.1343; 26.629; 12.0933
90; 99.514; 90		1948.3Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 879-890
2311765 CIFC20 H24 N4 O4P 1 n 16.1262; 26.531; 12.0982
90; 99.5055; 90		1939.4Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 879-890
2311764 CIF
Paper		C20 H24 N4 O4P 1 n 16.0925; 26.145; 12.1017
90; 99.3633; 90		1902Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced order-disorder structural phase transitions of two-dimensional isostructural hexamethylenetetramine co-crystals.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 879-890
2311763 CIFC4 H10 B F4 N OP n a m8.131; 9.40719; 9.58445
90; 90; 90		733.11Noohinejad, Leila; van Smaalen, Sander; Petříček, Václav; Schönleber, Andreas
Incommensurately modulated structure of morpholinium tetrafluoroborate and configurational versus chemical entropies at the incommensurate and lock-in phase transitions.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 836-843
2311762 CIFC4 H10 B F4 N OP n a m8.09423; 9.40452; 9.54481
90; 90; 90		726.57Noohinejad, Leila; van Smaalen, Sander; Petříček, Václav; Schönleber, Andreas
Incommensurately modulated structure of morpholinium tetrafluoroborate and configurational versus chemical entropies at the incommensurate and lock-in phase transitions.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 836-843
2311761 CIFC6 Ba3 Mg3 O18R -3 m :H5.0277; 5.0277; 16.7972
90; 90; 120		367.71Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311760 CIFC6 Ba3 Mg3 O18R -3 m :H5.027; 5.027; 16.778
90; 90; 120		367.19Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311759 CIFC6 Ba3 Mg3 O18R -3 m :H5.0256; 5.0256; 16.782
90; 90; 120		367.07Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311758 CIFC6 Ba3 Mg3 O18R -3 m :H5.0228; 5.0228; 16.862
90; 90; 120		368.41Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311757 CIFC6 Ba3 Mg3 O18R -3 m :H5.0224; 5.0224; 16.8222
90; 90; 120		367.48Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311756 CIFC6 Ba3 Mg3 O18R -3 m :H5.0217; 5.0217; 16.8037
90; 90; 120		366.98Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311755 CIFC6 Ba3 Mg3 O18R -3 m :H5.0206; 5.0206; 16.7875
90; 90; 120		366.46Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311754 CIFC6 Ba3 Mg3 O18R -3 m :H5.0214; 5.0214; 16.7931
90; 90; 120		366.7Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311753 CIFC6 Ba3 Mg3 O18R -3 m :H5.0209; 5.0209; 16.7515
90; 90; 120		365.719Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311752 CIFC6 Ba3 Mg3 O18R -3 c :H5.0206; 5.0206; 33.5307
90; 90; 120		731.96Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311751 CIFC6 Ba3 Mg3 O18R -3 c :H5.0198; 5.0198; 33.5169
90; 90; 120		731.42Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311750 CIFC6 Ba3 Mg3 O18R -3 c :H5.0187; 5.0187; 33.5273
90; 90; 120		731.33Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311749 CIFC6 Ba3 Mg3 O18R -3 c :H5.0183; 5.0183; 33.5074
90; 90; 120		730.78Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311748 CIFC6 Ba3 Mg3 O18R -3 c :H5.018; 5.018; 33.5012
90; 90; 120		730.55Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311747 CIFC6 Ba3 Mg3 O18R -3 c :H5.016; 5.016; 33.517
90; 90; 120		730.32Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311746 CIFC6 Ba3 Mg3 O18R -3 c :H5.0161; 5.0161; 33.4952
90; 90; 120		729.87Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311745 CIFC6 Ba3 Mg3 O18R -3 c :H5.0135; 5.0135; 33.4784
90; 90; 120		728.75Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311744 CIFC6 Ba3 Mg3 O18R -3 c :H5.0113; 5.0113; 33.5158
90; 90; 120		728.92Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311743 CIFC6 Ba3 Mg3 O18R -3 c :H5.0084; 5.0084; 33.3941
90; 90; 120		725.43Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311742 CIFC6 Ba3 Mg3 O18R -3 c :H5.0083; 5.0083; 33.3987
90; 90; 120		725.51Ende, Martin; Effenberger, Herta; Miletich, Ronald
Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 827-835
2311741 CIFH K2.91 N0.09 O8 S2C 1 2/c 114.692; 5.681; 9.776
90; 102.99; 90		795.1Choudhury, R. R.; Chitra, R.; Selezneva, E. V.; Makarova, I. P.
Effect of cationic substitution on the double-well hydrogen-bond potential in [K<sub>1-x</sub>(NH<sub>4</sub>)<sub>x</sub>]<sub>3</sub>H(SO<sub>4</sub>)<sub>2</sub> proton conductors: a single-crystal neutron diffraction study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 863-867
2311740 CIFBa0.47 Nb2 O6 Sr0.53P 4 b m (a,b,2*c)12.4629; 12.4629; 7.9032
90; 90; 90		1227.56Graetsch, Heribert A.
Structural changes of relaxor ferroelectric Sr<sub>0.52</sub>Ba<sub>0.48</sub>Nb<sub>2</sub>O<sub>6</sub> (SBN52) on quenching and reheating.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 820-826
2311739 CIFBa0.476 Nb2 O6 Sr0.524P 4 b m (a,b,2*c)12.4693; 12.4693; 7.9006
90; 90; 90		1228.41Graetsch, Heribert A.
Structural changes of relaxor ferroelectric Sr<sub>0.52</sub>Ba<sub>0.48</sub>Nb<sub>2</sub>O<sub>6</sub> (SBN52) on quenching and reheating.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 820-826
2311738 CIFFe H5 O7 SP n m a20.0789; 7.4024; 7.2294
90; 90; 90		1074.5Plášil, Jakub; Petříček, Václav; Majzlan, Juraj
A commensurately modulated structure of parabutlerite, Fe<sup>III</sup>SO<sub>4</sub>(OH)·2H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 856-862
2311737 CIFC15 H10 F6 N2P n a 2111.2082; 16.2891; 15.2689
90; 90; 90		2787.67Dey, Dhananjay; Chopra, Deepak
Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 781-793
2311736 CIFC15 H10 F6 N2C 1 2/c 114.33; 13.658; 7.938
90; 112.607; 90		1434.2Dey, Dhananjay; Chopra, Deepak
Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 781-793
2311735 CIFC15 H10 F6 N2P -18.2523; 8.3039; 11.793
82.823; 74.769; 61.428		684.78Dey, Dhananjay; Chopra, Deepak
Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 781-793
2311734 CIFC14 H11 F3 N2P n a 2111.5823; 13.8757; 7.4479
90; 90; 90		1196.97Dey, Dhananjay; Chopra, Deepak
Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 781-793
2311733 CIFC15 H10 F6 N2P -18.189; 8.376; 11.623
72.723; 82.222; 62.417		674.7Dey, Dhananjay; Chopra, Deepak
Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 781-793
2311732 CIFC15 H10 F6 N2C 1 c 115.2831; 4.8177; 19.0386
90; 103.74; 90		1361.69Dey, Dhananjay; Chopra, Deepak
Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 781-793
2311731 CIF
Paper		C14 H11 F3 N2P -19.6399; 10.3142; 13.4202
99.961; 107.306; 97.321		1231.8Dey, Dhananjay; Chopra, Deepak
Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 781-793
2311730 CIFBe2 Ca0.55 Ce0.2 Fe0.57 O10 Si2 Y1.25P 1 21/c 14.7514; 7.5719; 9.9414
90; 90.015; 90		357.66Chukanov, Nikita V.; Aksenov, Sergey M.; Rastsvetaeva, Ramiza K.; Kristiansen, Roy; Pekov, Igor V.; Belakovskiy, Dmitriy I.; Van, Konstantin V.; Bychkova, Yana V.; Britvin, Sergey N.
Crystal structure of the OH-dominant gadolinite-(Y) analogue (Y,Ca)<sub>2</sub>(Fe,\σquare )Be<sub>2</sub>Si<sub>2</sub>O<sub>8</sub>(OH,O)<sub>2</sub> from Heftetjern pegmatite, Norway.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 899-906
2311729 CIFC4 Cl4 Ga NP m -3 m6.8504; 6.8504; 6.8504
90; 90; 90		321.48Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2311728 CIFC4 H12 Cl4 Ga NP 1 m 16.4571; 7.1456; 6.4596
90; 91.721; 90		297.91Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2311727 CIFC4 H12 Cl4 Ga NP b m a12.8736; 14.1743; 6.4043
90; 90; 90		1168.62Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2311726 CIFC4 H12 Cl4 Ga NP b m a12.8329; 14.1248; 6.3718
90; 90; 90		1154.97Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2311725 CIFC4 H12 Cl4 Ga NP b m a12.8303; 14.0961; 6.3359
90; 90; 90		1145.89Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2311724 CIFC4 H12 Cl4 Ga NP c m b6.282; 14.0388; 12.8067
90; 90; 90		1129.45Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2311723 CIFC4 Cl4 Fe NP m -3 m6.847; 6.847; 6.847
90; 90; 90		321Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2311722 CIFC4 H12 Cl4 Fe NP 1 21/m 16.574; 14.156; 6.595
90; 93.87; 90		612.3Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2311721 CIFC4 H12 Cl4 Fe NP 1 m 16.425; 7.148; 6.4274
90; 91.21; 90		295.12Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2311720 CIFC4 H12 Cl4 Fe NP b m 26.4471; 14.2753; 6.4526
90; 90; 90		593.86Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2311719 CIFC4 H12 Cl4 Fe NP b m a13.1361; 14.0158; 6.4831
90; 90; 90		1193.62Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2311718 CIFC4 H12 Cl4 Fe NP b m a13.1442; 13.9946; 6.4272
90; 90; 90		1182.27Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon
Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 844-855
2311717 CIF
Paper		Cu3.311 SiP -356.98; 56.98; 44.055
90; 90; 120		123871Corrêa, 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
2311716 CIF
Paper		Cu3.313 SiP -3 1 c16.2448; 16.2448; 44.017
90; 90; 120		10059.6Corrêa, 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
2311715 CIF
Paper		C20 H19 F N8 O2P -113.1749; 13.7062; 14.4719
70.217; 72.912; 70.776		2272.5Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong
Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 891-898
2311714 CIF
Paper		C21.5 H22.5 F N8.5 O2.5P -110.6703; 13.422; 16.9095
73.92; 74.788; 83.294		2242.9Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong
Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 891-898
2311713 CIF
Paper		C22 H22 F N9 O2P -18.4657; 11.4408; 13.1812
112.419; 90.914; 93.446		1176.99Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong
Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 891-898
2311712 CIF
Paper		C20 H19 F N8 O2P -18.0917; 10.8937; 11.7949
88.338; 82.344; 78.787		1010.76Zhou, Xinbo; Hu, Xiurong; Gu, Jianming; Zhu, Jianrong
Comparison of the crystal structures and thermochemistry of a novel soluble guanylate cyclase stimulator riociguat and its solvates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 891-898
2311711 CIFLi O3 TaR 3 c :H5.148; 5.148; 13.767
90; 90; 120		315.97Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311710 CIFLi Nb0.08 O3 Ta0.92R 3 c :H5.149; 5.149; 13.781
90; 90; 120		316.42Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311709 CIFLi Nb0.11 O3 Ta0.89R 3 c :H5.151; 5.151; 13.776
90; 90; 120		316.55Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311708 CIFLi Nb0.36 O3 Ta0.64R 3 c :H5.149; 5.149; 13.786
90; 90; 120		316.53Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311707 CIFLi Nb0.4 O3 Ta0.6R 3 c :H5.147; 5.147; 13.798
90; 90; 120		316.56Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311706 CIFLi Nb0.47 O3 Ta0.53R 3 c :H5.147; 5.147; 13.834
90; 90; 120		317.39Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311705 CIFLi Nb0.7 O3 Ta0.3R 3 c :H5.145; 5.145; 13.841
90; 90; 120		317.3Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311704 CIF
Paper		Li Nb O3R 3 c :H5.146; 5.146; 13.859
90; 90; 120		317.84Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A.
Crystallographic and optical study of LiNb<sub>1 - x</sub>Ta<sub>x</sub>O<sub>3</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 498-506
2311703 CIFC20 H12 Br2 Se2P -17.8394; 8.0986; 15.065
90.941; 101.888; 111.093		868.92Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro
Nature of E<sub>2</sub>X<sub>2</sub> σ(4c-6e) of the X—E-E—X type at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 265-275
2311702 CIFC20 H12 Cl2 Se2P c a 217.8933; 29.1713; 14.4594
90; 90; 90		3329.39Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro
Nature of E<sub>2</sub>X<sub>2</sub> σ(4c-6e) of the X—E-E—X type at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 265-275
2311701 CIF
Paper		C20 H12 Cl2 S2P c a 217.824; 28.782; 14.35
90; 90; 90		3231.5Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro
Nature of E<sub>2</sub>X<sub>2</sub> σ(4c-6e) of the X—E-E—X type at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 265-275
2311700 CIFC30 H18 I2 N2P 1 21/c 114.4231; 13.6011; 13.4798
90; 109.397; 90		2494.2Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B
A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 163-167
2311699 CIFC30 H20 I2 N2P -19.5153; 9.6261; 14.368
96.346; 93.215; 103.295		1268.4Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B
A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 163-167
2311698 CIF
Paper		C38 H24 I2 N4 O2P -19.6027; 10.0523; 18.021
85.6; 80.043; 68.603		1595.1Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B
A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 163-167
2311697 CIFC38 H24 I2 N8C 1 2/c 116.0411; 22.6435; 9.6728
90; 102.322; 90		3432.5Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B
A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 163-167
2311696 CIF
Paper		C38 H24 I2 N4P -19.7245; 10.1191; 17.5288
87.839; 80.433; 70.331		1601.35Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B
A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 163-167
2311277 CIFC21 H35 Cl N O2 P2 ReI 1 2/a 118.6854; 10.7708; 25.599
90; 107.48; 90		4914.1Glatz, Mathias; Stöger, Berthold; Kirchner, Karl
Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP<sup>CH<sub>2</sub></sup>-iPr)(CO)<sub>2</sub>Cl].
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 941-949
2311276 CIFC21 H35 Cl N O2 P2 ReP 1 21/c 19.6475; 10.7392; 25.629
90; 68.684; 90		2473.7Glatz, Mathias; Stöger, Berthold; Kirchner, Karl
Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP<sup>CH<sub>2</sub></sup>-iPr)(CO)<sub>2</sub>Cl].
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 941-949
2108209 CIFC4 H4 O4P b c a4.7321; 6.9298; 11.2798
90; 90; 90		369.89Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.
Compression of glycolide-h~4~ to 6GPa
Acta Crystallographica Section B, 2017, 73, 1151-1157
2108208 CIFC4 H4 O4P b c a4.7757; 6.993; 11.3384
90; 90; 90		378.66Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.
Compression of glycolide-h~4~ to 6GPa
Acta Crystallographica Section B, 2017, 73, 1151-1157
2108207 CIFC4 H4 O4P b c a4.8571; 7.1033; 11.4462
90; 90; 90		394.91Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.
Compression of glycolide-h~4~ to 6GPa
Acta Crystallographica Section B, 2017, 73, 1151-1157
2108206 CIFC4 H4 O4P b c a4.9209; 7.1818; 11.5243
90; 90; 90		407.28Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.
Compression of glycolide-h~4~ to 6GPa
Acta Crystallographica Section B, 2017, 73, 1151-1157
2108205 CIFC4 H4 O4P b c a5.1174; 7.3666; 11.7174
90; 90; 90		441.72Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.
Compression of glycolide-h~4~ to 6GPa
Acta Crystallographica Section B, 2017, 73, 1151-1157
2108204 CIF
HKL		C14 H16 N2 O2 SP 21 21 2113.4996; 14.5841; 20.5461
90; 90; 90		4045.1Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108203 CIF
HKL		C14 H16 N2 O2 SP 21 21 217.7112; 11.6576; 14.8171
90; 90; 90		1332Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108202 CIF
HKL		C14 H16 N2 O2 SP 21 21 2110.0987; 11.0883; 12.0825
90; 90; 90		1352.97Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108201 CIF
HKL		C14 H16 N2 O2 SP 43 21 27.743; 7.743; 43.5343
90; 90; 90		2610.06Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108200 CIF
HKL		C15 H18 N2 O2 SP 21 21 219.8689; 10.6838; 13.6421
90; 90; 90		1438.39Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108199 CIF
HKL		C15 H18 N2 O2 SP 17.4536; 7.4603; 13.6011
79.6877; 89.2981; 69.3688		695.31Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108198 CIF
HKL		C15 H18 N2 O2 SP 1 21 19.8928; 9.0312; 16.447
90; 97.8246; 90		1455.76Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108197 CIF
HKL		C15 H18 N2 O2 SP 1 21 17.3126; 27.1077; 7.3745
90; 106.064; 90		1404.75Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108196 CIF
HKL		C15 H18 N2 O2 SP 21 21 216.2287; 8.9737; 25.9694
90; 90; 90		1451.55Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108195 CIF
HKL		C15 H19 N2 O2.5 SP 318.4102; 8.4102; 36.562
90; 90; 120		2239.61Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108194 CIF
HKL		H7.84 K1.29 N1.71 O8 S2R -3 :H5.7768; 5.7768; 22.0983
90; 90; 120		638.65Selezneva, Elena V.; Makarova, Irina P.; Malyshkina, Inna A.; Gavrilova, Nadezhda D.; Grebenev, Vadim V.; Novik, Vitalii K.; Komornikov, Vladimir A.
New superprotonic crystals with dynamically disordered hydrogen bonds: cation replacements as the alternative to temperature increase
Acta Crystallographica Section B, 2017, 73, 1105-1113
2108193 CIF
HKL
Paper		C6 H13 N O2C 1 2/c 131.231; 4.7296; 9.8739
90; 91.719; 90		1457.82Czech, Christian; Glinnemann, Jürgen; Johansson, Kristoffer E.; Bolte, Michael; Schmidt, Martin U.
On the stacking disorder of <small>DL</small>-norleucine
Acta Crystallographica Section B, 2017, 73, 1075-1084
2108192 CIF
HKL		C4 H12 Cl4 Ir K O2 S2P 1 21/n 18.9902; 15.199; 10.7569
90; 91.425; 90		1469.4Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia
Conformational and structural diversity of iridium dimethyl sulfoxide complexes
Acta Crystallographica Section B, 2017, 73, 1032-1042
2108191 CIF
HKL		C8 H25 Cl4 Ir N O2.5 S2C 1 2/c 119.821; 10.083; 19.572
90; 108.657; 90		3706.01Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia
Conformational and structural diversity of iridium dimethyl sulfoxide complexes
Acta Crystallographica Section B, 2017, 73, 1032-1042
2108190 CIF
HKL		C4 H12.5 Cl4 Ir K O2.25 S2P 1 21/c 112.753; 7.8356; 15.3277
90; 111.581; 90		1424.29Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia
Conformational and structural diversity of iridium dimethyl sulfoxide complexes
Acta Crystallographica Section B, 2017, 73, 1032-1042
2108189 CIF
HKL
Paper		C4 H14 Cl4 Ir K O3 S2P 1 21/c 112.1963; 7.4652; 16.4793
90; 96.055; 90		1492.03Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia
Conformational and structural diversity of iridium dimethyl sulfoxide complexes
Acta Crystallographica Section B, 2017, 73, 1032-1042
2108188 CIF
HKL		C10 H11 N O2P -16.2755; 8.6368; 8.657
101.482; 96.2307; 96.0785		453.17Truong, Khai-Nghi; Merkens, Carina; Meven, Martin; Faßbänder, Björn; Dronskowski, Richard; Englert, Ulli
Phase transition and proton ordering at 50K in 3-(pyridin-4-yl)pentane-2,4-dione
Acta Crystallographica Section B, 2017, 73, 1172-1178
2108187 CIF
HKL		C10 H11 N O2C 1 2/c 111.0366; 13.2899; 6.3763
90; 99.548; 90		922.29Truong, Khai-Nghi; Merkens, Carina; Meven, Martin; Faßbänder, Björn; Dronskowski, Richard; Englert, Ulli
Phase transition and proton ordering at 50K in 3-(pyridin-4-yl)pentane-2,4-dione
Acta Crystallographica Section B, 2017, 73, 1172-1178
2108186 CIFD3 O4 PP 21 21 214.5121; 8.2009; 13.8569
90; 90; 90		512.75Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108185 CIFD3 O4 PP 21 21 214.5214; 8.2332; 13.9189
90; 90; 90		518.14Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108184 CIFD3 O4 PP 21 21 214.5338; 8.2726; 13.9867
90; 90; 90		524.59Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108183 CIFD3 O4 PP 21 21 214.5456; 8.3104; 14.0631
90; 90; 90		531.24Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108182 CIFD3 O4 PP 21 21 214.5549; 8.3362; 14.1067
90; 90; 90		535.64Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108181 CIFD3 O4 PP 21 21 214.5599; 8.3496; 14.1332
90; 90; 90		538.1Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108180 CIFD3 O4 PP 21 21 214.5639; 8.3606; 14.1535
90; 90; 90		540.05Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108179 CIFD3 O4 PP 21 21 214.5689; 8.3733; 14.1755
90; 90; 90		542.31Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108178 CIFD3 O4 PP 21 21 214.5791; 8.4031; 14.2214
90; 90; 90		547.22Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108177 CIFD3 O4 PP 21 21 214.5831; 8.411; 14.2424
90; 90; 90		549.02Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108176 CIFD3 O4 PP 21 21 214.5868; 8.4232; 14.2653
90; 90; 90		551.15Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108175 CIFD3 O4 PP 21 21 214.5932; 8.4323; 14.2795
90; 90; 90		553.06Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108174 CIFD3 O4 PP 21 21 214.598; 8.4429; 14.3036
90; 90; 90		555.27Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108173 CIFD3 O4 PP 21 21 214.6022; 8.4597; 14.3291
90; 90; 90		557.88Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108172 CIFD3 O4 PP 21 21 214.6206; 8.481; 14.388
90; 90; 90		563.83Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108171 CIFD3 O4 PP 21 21 214.6332; 8.5169; 14.4323
90; 90; 90		569.51Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108170 CIFD3 O4 PP 21 21 214.6494; 8.558; 14.5078
90; 90; 90		577.26Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108169 CIFD3 O4 PP 21 21 214.6648; 8.6057; 14.5932
90; 90; 90		585.83Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108168 CIFD3 O4 PP 1 21/c 15.7466; 4.8378; 11.6028
90; 95.107; 90		321.29Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108167 CIFD3 O4 PP 1 21/c 15.403; 4.7036; 10.9238
90; 92.633; 90		277.32Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108166 CIFD3 O4 PP 1 21/c 15.4357; 4.7148; 10.9698
90; 92.874; 90		280.78Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108165 CIFD3 O4 PP 1 21/c 15.5049; 4.7401; 11.0668
90; 93.355; 90		288.28Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108164 CIFD3 O4 PP 1 21/c 15.5356; 4.7522; 11.1169
90; 93.561; 90		291.88Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108163 CIFD3 O4 PP 1 21/c 15.5686; 4.7647; 11.1762
90; 93.81; 90		295.88Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108162 CIFD3 O4 PP 1 21/c 15.6334; 4.78996; 11.3055
90; 94.255; 90		304.22Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108161 CIFD3 O4 PP 1 21/c 15.6927; 4.81609; 11.4468
90; 94.704; 90		312.77Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108160 CIFD3 O4 PP 1 21/c 15.7493; 4.83921; 11.617
90; 95.15; 90		321.9Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108159 CIFH3 O4 PP 21 21 214.619; 8.479; 14.38
90; 90; 90		563.2Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108158 CIFH3 O4 PP 1 21/c 15.707; 4.82; 11.436
90; 94.75; 90		313.5Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108154 CIFC9 H12 K N2 O9 PP 21 21 218.0835; 10.5221; 16.0738
90; 90; 90		1367.16Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B, 2017, 73, 550-564
2108153 CIFC9 H12 K N2 O9 PP 21 21 218.067; 10.4871; 16.0561
90; 90; 90		1358.34Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B, 2017, 73, 550-564
2108152 CIFC9 H12 K N2 O9 PP 21 21 218.0778; 10.4023; 16.0137
90; 90; 90		1345.59Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B, 2017, 73, 550-564
2108151 CIFC9 H12 K N2 O9 PP 21 21 218.0754; 10.387; 16
90; 90; 90		1342.1Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B, 2017, 73, 550-564
2108150 CIF
Paper		C9 H12 K N2 O9 PP 21 21 218.063; 10.4358; 16.0092
90; 90; 90		1347.08Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B, 2017, 73, 550-564
2108149 CIFC16 H10 O2P 1 21/n 18.6187; 11.5861; 8.6105
90; 92.788; 90		858.8Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108148 CIFC16 H10 O2P 1 21/n 18.5652; 11.4704; 8.5109
90; 92.95; 90		835.06Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108147 CIFC16 H10 O2P 1 21/n 18.5923; 11.5463; 8.584
90; 92.826; 90		850.58Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108146 CIFC16 H10 O2P 1 21/n 18.6563; 11.7038; 8.714
90; 92.652; 90		881.88Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108145 CIFC16 H10 O2P 1 21/n 18.7168; 11.8642; 8.8601
90; 92.569; 90		915.37Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108144 CIFC16 H10 O2P 1 21/n 18.8423; 12.2033; 9.1817
90; 92.78; 90		989.59Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108143 CIF
HKL
Paper		C28 H38 N4 O4 S2P 1 21/a 19.34; 19.482; 8.634
90; 115.13; 90		1422.35Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean-Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed
When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical
Acta Crystallographica Section B, 2017, 73, 544-549
2108142 CIF
Paper		Al2 Mg3 O12 Si3I a -3 d11.4405; 11.4405; 11.4405
90; 90; 90		1497.39Destro, Riccardo; Ruffo, Riccardo; Roversi, Pietro; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo
Anharmonic motions <i>versus</i> dynamic disorder at the Mg ion from the charge densities in pyrope (Mg~3~Al~2~Si~3~O~12~) crystals at 30K: six of one, half a dozen of the other
Acta Crystallographica Section B, 2017, 73, 722-736
2108141 CIF
HKL		C15 H15 Co N2 O5P 1 21/c 112.631; 7.5996; 16.109
90; 109.223; 90		1460.1Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B.
Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction
Acta Crystallographica Section B, 2017, 73, 669-674
2108140 CIF
HKL		C15 H17 Co N2 O6P 1 21/c 112.899; 7.638; 16.085
90; 108.337; 90		1504Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B.
Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction
Acta Crystallographica Section B, 2017, 73, 669-674
2108139 CIF
HKL
Paper		C13 H15 Co N2 O7P 1 21/c 112.655; 7.6693; 15.934
90; 106.636; 90		1481.7Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B.
Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction
Acta Crystallographica Section B, 2017, 73, 669-674
2108138 CIF
HKL		C13 H6 N5 Ni S4P 1 21/c 116.0654; 6.3464; 17.0333
90; 116.606; 90		1552.77Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108137 CIF
HKL		C18 H12 N6 Ni S4P -17.4307; 8.9072; 9.2445
115.167; 94.727; 108.525		507.94Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108136 CIF
HKL		C13 H6 Cu N5 S4P 1 21/c 117.418; 6.1838; 18.165
90; 126.93; 90		1564Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108135 CIF
HKL		C18 H12 Cu N6 S4P -17.5458; 9.0111; 9.2574
115.334; 95.223; 108.563		520.01Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108134 CIF
HKL		C13 H6 N5 Ni S4P 1 21/c 116.1805; 6.3567; 17.0872
90; 116.837; 90		1568.2Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108133 CIF
HKL
Paper		C18 H12 N6 Ni S4P -17.446; 8.8942; 9.2799
114.992; 94.904; 108.68		509.94Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108132 CIF
HKL		C7 H6 O2 SP -13.863; 6.0337; 14.4721
91.302; 93.062; 92.925		336.29Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru
Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid
Acta Crystallographica Section B, 2017, 73, 626-633
2108131 CIF
HKL		C7 H6 O2 SP 1 21/n 14.7811; 5.7441; 25.353
90; 94.49; 90		694.1Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru
Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid
Acta Crystallographica Section B, 2017, 73, 626-633
2108130 CIF
HKL
Paper		C7 H6 O2 SP 1 21/c 17.84809; 5.89857; 14.6898
90; 100.338; 90		668.99Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru
Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid
Acta Crystallographica Section B, 2017, 73, 626-633
2108129 CIF
HKL		C12 H29 Br2 O15 SrC 1 2 116.439; 8.024; 11.1931
90; 128.142; 90		1161.2Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola
Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study
Acta Crystallographica Section B, 2017, 73, 737-743
2108128 CIF
HKL
Paper		C12 H29 Br2 Ca O15C 1 2 116.1449; 7.8881; 11.4702
90; 128.842; 90		1137.75Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola
Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study
Acta Crystallographica Section B, 2017, 73, 737-743
2108127 CIF
HKL		C10 H16 Co N0 O12P -15.5872; 6.6969; 10.5753
77.217; 74.884; 70.434		356.02Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin
Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid
Acta Crystallographica Section B, 2017, 73, 715-721
2108126 CIF
HKL		C18 H24 Cd N2 O9P 1 21/c 110.9131; 11.3385; 17.4385
90; 94.215; 90		2151.97Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin
Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid
Acta Crystallographica Section B, 2017, 73, 715-721
2108125 CIF
HKL		C26 H22 N2 O14 Zn2P b c a16.1578; 16.5129; 21.4877
90; 90; 90		5733.2Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin
Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid
Acta Crystallographica Section B, 2017, 73, 715-721
2108124 CIF
HKL
Paper		C10 H8 O8 ZnC 1 2/c 115.3546; 5.8885; 11.9905
90; 100.762; 90		1065.06Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin
Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid
Acta Crystallographica Section B, 2017, 73, 715-721
2108123 CIF
HKL
Paper		C42 H18 F12 I6 N2 S2P -15.9807; 14.139; 14.2774
68.516; 81.348; 86.09		1110.53Wang, Hui; Jin, Wei Jun
Cocrystal assembled by 1,4-diiodotetrafluorobenzene and phenothiazine based on C—I···π/N/S halogen bond and other assisting interactions
Acta Crystallographica Section B, 2017, 73, 210-216
2108122 CIF
HKL
Paper		C6 H18 N2 O3 S2P -110.4922; 11.1455; 11.7015
62.299; 74.938; 74.082		1150.9Brozdowska, Agnieszka; Chojnacki, Jarosław
Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
Acta Crystallographica Section B, 2017, 73, 507-518
2108121 CIF
HKL
Paper		C5 H16 N2 O3.5 S2P 43 21 211.7872; 11.7872; 16.2851
90; 90; 90		2262.6Brozdowska, Agnieszka; Chojnacki, Jarosław
Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
Acta Crystallographica Section B, 2017, 73, 507-518
2108120 CIF
HKL
Paper		C4 H14 N2 O3 S2P -16.0538; 8.5273; 9.3869
73.623; 82.681; 84.207		460.05Brozdowska, Agnieszka; Chojnacki, Jarosław
Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
Acta Crystallographica Section B, 2017, 73, 507-518

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