Crystallography Open Database

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2020711 CIF
HKL
F7 H12 Hf N3F m -3 m9.3964; 9.3964; 9.3964
90; 90; 90
829.63Udovenko, Anatoly A.; Karabtsov, Alexander A.; Laptash, Natalia M.
Crystallographic features of ammonium fluoroelpasolites: dynamic orientational disorder in crystals of (NH~4~)~3~HfF~7~ and (NH~4~)~3~Ti(O~2~)F~5~
Acta Crystallographica Section B, 2017, 73, 1-9
2020712 CIF
HKL
F5 H12 N3 O2 TiF m -3 m9.2327; 9.2327; 9.2327
90; 90; 90
787.021Udovenko, Anatoly A.; Karabtsov, Alexander A.; Laptash, Natalia M.
Crystallographic features of ammonium fluoroelpasolites: dynamic orientational disorder in crystals of (NH~4~)~3~HfF~7~ and (NH~4~)~3~Ti(O~2~)F~5~
Acta Crystallographica Section B, 2017, 73, 1-9
2020744 CIF
HKL
Paper
C12 H9 F N2 OP 1 21/n 19.7681; 10.5358; 10.574
90; 114.134; 90
993.1Sirohiwal, Abhishek; Hathwar, Venkatesha R.; Dey, Dhananjay; Regunathan, Roshni; Chopra, Deepak
Characterization of fluorine-centred `F...O' σ-hole interactions in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73
2021884 CIF
Paper
H3.94 Li N0.984 O4 S Yb0.005P 1 21/c 117.856; 5.008; 10.264
90; 106.46; 90
880.2Sabalisck, N. P.; Guzmán-Afonso, C.; González-Silgo, C.; Torres, M. E.; Pasán, J.; del-Castillo, J.; Ramos-Hernández, D.; Hernández-Suárez, A.; Mestres, L.
Structures and thermal stability of the α-LiNH4SO4 polytypes doped with Er3+ and Yb3+
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 122
2021885 CIFH3.843 Li N0.961 O4 S Yb0.013P 1 21/c 110.177; 5.106; 34.234
90; 90.2; 90
1779Sabalisck, N. P.; Guzmán-Afonso, C.; González-Silgo, C.; Torres, M. E.; Pasán, J.; del-Castillo, J.; Ramos-Hernández, D.; Hernández-Suárez, A.; Mestres, L.
Structures and thermal stability of the α-LiNH4SO4 polytypes doped with Er3+ and Yb3+
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 122
2021886 CIFF5 H12 N3 O VF m -3 m9.0522; 9.0522; 9.0522
90; 90; 90
741.76Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.
Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1085
2021887 CIFF5 H12 N3 O VI m m m6.2986; 9.1638; 18.9044
90; 90; 90
1091.15Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.
Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1085
2021888 CIFF4 H12 N3 O2 VI 2 2 26.2738; 9.1388; 18.8424
90; 90; 90
1080.33Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.
Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1085
2021889 CIF
Paper
B2 O5 Sr2P 1 21/c 17.763; 5.3386; 11.875
90; 92.64; 90
491.62Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav
Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
2021890 CIF
Paper
B2 O5 Sr2P 1 21/c 13.882; 5.3386; 11.875
90; 92.64; 90
245.84Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav
Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
2021891 CIF
Paper
B2 O5 Sr2P -19.4662; 13.2754; 11.8671
88.815; 91.651; 91.473
1489.9Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav
Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
2021892 CIF
Paper
B2 O5 Sr2P -13.9001; 5.3685; 11.8671
89.994; 92.008; 90.038
248.32Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav
Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
2021893 CIF
Paper
B2 O5 Sr2P 1 21/c 13.9125; 5.3699; 11.8732
90; 91.849; 90
249.323Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav
Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
2021894 CIFCd113.75 Mg31.37 Yb24I m -315.7531; 15.7531; 15.7531
90; 90; 90
3909.29Yamada, Tsunetomo; Takakura, Hiroyuki; de Boissieu, Marc; Tsai, An-Pang
Atomic structures of ternary Yb‒Cd‒Mg icosahedral quasicrystals and a 1/1 approximant
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1125
2021895 CIFO5 Rb2 Ti2C 1 2/m 111.3457; 3.8195; 6.9699
90; 100.359; 90
297.12Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte
The crystal structure of Rb2Ti2O5
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142
2021896 CIFO5 Rb2 Ti2C 1 2/m 111.337; 3.8244; 6.9946
90; 100.308; 90
298.37Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte
The crystal structure of Rb2Ti2O5
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142
2021897 CIFO5 Rb2 Ti2C 1 2/m 111.3419; 3.8198; 7.0103
90; 100.298; 90
298.82Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte
The crystal structure of Rb2Ti2O5
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142
2021898 CIFC4 H11 F N5 O4 PC 1 2/c 120.6578; 8.922; 13.9144
90; 129.181; 90
1987.92Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021899 CIFC4 H11 F N5 O4 PC 1 2/c 120.6416; 8.9068; 13.9075
90; 129.118; 90
1983.77Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021900 CIFC4 H11 F N5 O4 PC 1 2/c 120.6339; 8.8975; 13.9054
90; 129.096; 90
1981.28Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021901 CIFC4 H11 F N5 O4 PC 1 2/c 120.6096; 8.8814; 13.8865
90; 129.047; 90
1974.05Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021902 CIFC4 H11 F N5 O4 PC 1 2/c 120.5877; 8.8673; 13.8912
90; 128.997; 90
1970.88Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021903 CIFC4 H11 F N5 O4 PC 1 2/c 120.5748; 8.853; 13.8869
90; 128.962; 90
1966.83Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021904 CIFC4 H11 F N5 O4 PC 1 2/c 120.5719; 8.8396; 13.9003
90; 128.924; 90
1966.53Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021905 CIFC4 H11 F N5 O4 PC 1 2/c 120.5473; 8.8249; 13.8851
90; 128.914; 90
1959.04Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1–x trioxofluorophosphate(2–)1–x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021906 CIFC4 H11 F N5 O4 PC 1 2/c 120.5418; 8.812; 13.8845
90; 128.89; 90
1956.23Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021907 CIFC4 H11 F N5 O4 PC 1 2/c 120.5237; 8.8033; 13.8813
90; 128.85; 90
1953.22Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021908 CIFC4 H11 F N5 O4 PC 1 2/c 120.5134; 8.7963; 13.8768
90; 128.806; 90
1951.27Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021909 CIFC4 H11 F N5 O4 PC 1 2/c 120.4891; 8.7848; 13.8632
90; 128.781; 90
1945.18Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021910 CIFC4 H11 F N5 O4 PC 1 2/c 120.5006; 8.7803; 13.8618
90; 128.797; 90
1944.64Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021911 CIFC4 H11 F N5 O4 PC 1 2/c 120.4756; 8.7798; 13.8428
90; 128.764; 90
1940.4Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021912 CIFC4 H11 F N5 O4 PC 1 2/c 120.463; 8.7767; 13.8368
90; 128.717; 90
1938.95Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021913 CIFC4 H11 F N5 O4 PC 1 2/c 120.4273; 8.7714; 13.7988
90; 128.623; 90
1931.62Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2108027 CIF
HKL
Paper
Fe2 O3C 1 2/c 19.61865; 5.03554; 13.75158
90; 162.404; 90
201.349Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R.
Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature
Acta Crystallographica Section B, 2017, 73, 27-32
2108028 CIF
HKL
Paper
Fe2 O3C 1 2/c 19.6892; 5.08737; 13.84868
90; 162.351; 90
206.967Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R.
Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature
Acta Crystallographica Section B, 2017, 73, 27-32
2108029 CIF
HKL
Paper
C4 H12 Cl N5P 1 21/c 17.9104; 13.8794; 7.931
90; 114.606; 90
791.69Niranjana Devi, Rajendran; Jelsch, Christian; Israel, Samuel; Aubert, Emmanuel; Anzline, Chellam; Hosamani, Amar A.
Charge density analysis of metformin chloride, a biguanide anti-hyperglycemic agent
Acta Crystallographica Section B, 2017, 73, 10-22
2108030 CIF
HKL
Paper
C22 H24 Br F3 I3 NP b c a15.7522; 22.3326; 15.5213
90; 90; 90
5460.2Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108031 CIF
HKL
Paper
C22 H24 Br F3 I3 NC 1 2/c 131.434; 14.8275; 26.724
90; 116.034; 90
11192Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108032 CIF
HKL
Paper
C47 H24 Br F6 I6 N2 PC 1 2/c 110.6026; 16.3599; 30.679
90; 97.626; 90
5274.4Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108033 CIF
HKL
Paper
C88 H40 Br2 F12 I12 P2P a -322.3941; 22.3941; 22.3941
90; 90; 90
11230.5Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108034 CIF
HKL
Paper
C49 H26 Br F6 I6 N2 O PC 1 2/c 110.5098; 16.2789; 30.9417
90; 95.6557; 90
5268Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108035 CIF
HKL
Paper
C52 H26 Br F6 I6 N2 PC 1 2/c 110.5544; 16.4031; 30.8221
90; 96.1095; 90
5305.8Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108036 CIF
HKL
Paper
C45 H27 Br F5 I3 N PP 1 21/n 110.7807; 28.8937; 14.89
90; 93.368; 90
4630.1Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108037 CIF
HKL
Paper
C31 H24 Br F2 PP 1 21/n 110.7103; 18.0967; 13.6486
90; 96.2767; 90
2629.53Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108042 CIF
HKL
Al4.847 O9.577 Si1.153P b a m7.5817; 7.6752; 2.8843
90; 90; 90
167.84Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon
Ordered vacancy distribution in 2/1 mullite: a superspace model
Acta Crystallographica Section B, 2017, 73
2108043 CIFAl4.8 O9.6 Si1.2B b 21 m75.817; 7.6752; 5.7686
90; 90; 90
3356.8Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon
Ordered vacancy distribution in 2/1 mullite: a superspace model
Acta Crystallographica Section B, 2017, 73
2108049 CIF
HKL
Paper
C8 H11 N2 O7.5P 21 21 219.7808; 8.9659; 6.0713
90; 90; 90
1076.76Yadav, Harsh; Sinha, Nidhi; Goel, Sahil; Singh, Budhendra; Bdikin, Igor; Saini, Anupama; Gopalaiah, Kovuru; Kumar, Binay
Crystal structure of bis(L-asparaginium hydrogensquarate) monohydrate
Acta Crystallographica, Section B, 2017, 73, 347-359
2108050 CIF
HKL
C2 Ca K0.36 Na1.64 O6C m c m5.062; 8.79; 12.744
90; 90; 90
567.04Bolotina, Nadezhda B.; Gavryushkin, Pavel N.; Korsakov, Andrey V.; Rashchenko, Sergey V.; Seryotkin, Yurii V.; Golovin, Alexander V.; Moine, Bertrand N.; Zaitsev, Anatoly N.; Litasov, Konstantin D.
Incommensurately modulated twin structure of nyerereite Na~1.64~K~0.36~Ca(CO~3~)~2~
Acta Crystallographica Section B, 2017, 73, 276-284
2108051 CIF
Paper
C20 H23 N3 O10 S2P n m a14.563; 6.748; 23.299
90; 90; 90
2289.6Ikemoto, Kazuto; Mori, Shigeki; Mukai, Kazuo
Synthesis and crystal structure of pyrroloquinoline quinol (PQQH~2~) and pyrroloquinoline quinone (PQQ)
Acta Crystallographica Section B, 2017, 73, 489-497
2108052 CIF
HKL
Paper
C20 H24 N2 O11 S3P 21 21 216.901; 12.371; 28.674
90; 90; 90
2448Ikemoto, Kazuto; Mori, Shigeki; Mukai, Kazuo
Synthesis and crystal structure of pyrroloquinoline quinol (PQQH~2~) and pyrroloquinoline quinone (PQQ)
Acta Crystallographica Section B, 2017, 73, 489-497
2108053 CIF
HKL
Paper
C14 H13 F4 I O2 S2P -15.1915; 11.1729; 15.037
105.837; 90.773; 100.81
822.28Sanjeeva, Kavitha Buntara; Tirotta, Ilaria; Kumar, Vijith; Bombelli, Francesca Baldelli; Terraneo, Giancarlo; Metrangolo, Pierangelo
Crystallographic insights into the structural aspects of thioctic acid based halogen-bond donor for the functionalization of gold nanoparticles
Acta Crystallographica Section B, 2017, 73, 240-246
2108054 CIF
HKL
C40 H36 F8 I2 N2 O4 S4P -17.7856; 10.1191; 14.647
91.391; 101.045; 110.18
1057.9Sanjeeva, Kavitha Buntara; Tirotta, Ilaria; Kumar, Vijith; Bombelli, Francesca Baldelli; Terraneo, Giancarlo; Metrangolo, Pierangelo
Crystallographic insights into the structural aspects of thioctic acid based halogen-bond donor for the functionalization of gold nanoparticles
Acta Crystallographica Section B, 2017, 73, 240-246
2108055 CIF
HKL
Paper
C14 H14 N2 O4I 1 2/a 120.333; 5.1356; 24.966
90; 90.909; 90
2606.7Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108056 CIF
HKL
C14 H14 N2 O4I 1 2/a 120.332; 5.1318; 25.024
90; 90.917; 90
2610.7Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108057 CIF
HKL
C14 H14 N2 O4I 1 2/a 120.296; 5.1263; 25.005
90; 90.95; 90
2601.2Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108058 CIF
HKL
C14 H14 N2 O4I 1 2/a 120.088; 5.2242; 25.033
90; 92.308; 90
2624.9Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108059 CIF
HKL
C14 H14 N2 O4I 1 2/a 120.084; 5.2206; 25.04
90; 92.375; 90
2623.2Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108060 CIF
HKL
C14 H14 N2 O4I 1 2/a 120.126; 5.2212; 25.134
90; 92.401; 90
2638.8Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108061 CIF
HKL
C14 H14 N2 O4I 1 2/a 120.161; 5.218; 25.234
90; 92.559; 90
2652Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108062 CIF
HKL
C14 H14 N2 O4I 1 2/a 120.246; 5.2132; 25.372
90; 92.557; 90
2675.3Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108063 CIF
HKL
Paper
C8 H40 Cr6 N4 O36 U4P 1 21 18.8638; 11.1097; 11.5441
90; 107.878; 90
1081.9Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya
Formation of co-racemic uranyl chromate constructed from chiral layers of different topology
Acta Crystallographica Section B, 2017, 73, 101-111
2108064 CIF
HKL
Cr H2.67 K0.47 O6.67 Rb0.19 U0.67P 1 21/c 111.0898; 10.5667; 16.2713
90; 90.109; 90
1906.7Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya
Formation of co-racemic uranyl chromate constructed from chiral layers of different topology
Acta Crystallographica Section B, 2017, 73, 101-111
2108065 CIF
HKL
C2.13 Cr0.8 N0.53 O4.53 U0.53P 1 21/c 111.4334; 11.525; 18.79
90; 92.427; 90
2473.7Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya
Formation of co-racemic uranyl chromate constructed from chiral layers of different topology
Acta Crystallographica Section B, 2017, 73, 101-111
2108066 CIF
HKL
C8 H38 Cr6 N4 O35 U4P 21 21 2111.1281; 11.152; 32.85
90; 90; 90
4076.7Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya
Formation of co-racemic uranyl chromate constructed from chiral layers of different topology
Acta Crystallographica Section B, 2017, 73, 101-111
2108067 CIF
HKL
Paper
C38 H46 Br4 Co N2 O4P -18.9545; 10.1012; 11.5659
85.879; 89.31; 65.16
946.72Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108068 CIF
HKL
C38 H46 Br4 Co N2 O4P -18.9612; 10.1111; 11.5984
85.951; 89.29; 65.221
951.59Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108069 CIF
HKL
C38 H46 Br4 Co N2 O4P -18.9788; 10.1598; 11.6606
86.014; 89.423; 65.463
965.1Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108070 CIF
HKL
C38 H46 Br4 Co N2 O4P -19.0047; 10.2138; 11.6756
86.394; 89.775; 65.652
976.1Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108071 CIF
HKL
C38 H46 Br4 Co N2 O4P -18.9569; 10.7763; 11.7042
85.308; 87.784; 62.483
998.56Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108072 CIF
HKL
C38 H46 Br4 Co N2 O4P -19.008; 10.899; 11.769
85.328; 87.483; 62.462
1021.1Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108073 CIF
HKL
C38 H46 Br4 Co N2 O4P -320.1281; 20.1281; 8.9942
90; 90; 120
3155.72Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108074 CIF
HKL
C38 H46 Br4 Co N2 O4P -320.255; 20.255; 9.0132
90; 90; 120
3202.4Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108075 CIF
HKL
C38 H46 Br4 Co N2 O4P -320.3624; 20.3624; 9.0045
90; 90; 120
3233.3Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108076 CIF
HKL
C38 H46 Br4 Co N2 O4P -320.4697; 20.4697; 9.0166
90; 90; 120
3271.9Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108077 CIF
HKL
C38 H46 Br4 Co N2 O4P -320.688; 20.688; 9.0563
90; 90; 120
3356.7Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108078 CIF
HKL
C38 H46 Cl4 Co N2 O4P -320.0094; 20.0094; 8.8987
90; 90; 120
3085.5Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108079 CIF
HKL
C38 H46 Cl4 Co N2 O4P -320.166; 20.166; 8.9271
90; 90; 120
3144Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108080 CIF
HKL
C38 H46 Cl4 Co N2 O4P -320.243; 20.243; 8.933
90; 90; 120
3170Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108081 CIF
HKL
C38 H46 Cl4 Co N2 O4P -320.334; 20.334; 8.945
90; 90; 120
3203Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108082 CIF
HKL
C38 H46 Cl4 Co N2 O4P -320.643; 20.643; 9.015
90; 90; 120
3327Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108083 CIF
HKL
C38 H44 Br6 Co N2 O4P -18.8113; 10.7232; 11.522
91.925; 93.441; 93.722
1083.64Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108084 CIF
HKL
C38 H44 Br6 Co N2 O4P -18.807; 10.6922; 11.4658
91.692; 93.393; 93.903
1074.69Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108085 CIF
HKL
C38 H44 Br6 Co N2 O4P -18.8725; 10.798; 11.6965
92.641; 94.358; 93.791
1113.43Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108086 CIF
HKL
C38 H44 Cl6 Co N2 O4P -18.7762; 10.5578; 11.4878
91.565; 93.882; 93.95
1058.92Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108087 CIF
HKL
Paper
C66 H36 F16 I8 N6C 1 2/c 111.455; 27.777; 21.823
90; 95.607; 90
6911Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun
Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor
Acta Crystallographica Section B, 2017, 73, 247-254
2108088 CIF
HKL
C54 H32 F4 I2 N4P 1 21/c 17.367; 11.435; 25.882
90; 93.609; 90
2176Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun
Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor
Acta Crystallographica Section B, 2017, 73, 247-254
2108089 CIF
HKL
C30 H12 Cl4 F4 I2 N4P 1 21/c 110.5713; 21.091; 7.1214
90; 108.149; 90
1508.8Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun
Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor
Acta Crystallographica Section B, 2017, 73, 247-254
2108090 CIF
HKL
Paper
C27 H23 F6 I2 N3 O7 S2P b c n22.4519; 18.1915; 8.0879
90; 90; 90
3303.4Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.
Experimental investigation of halogen-bond hard‒soft acid‒base complementarity
Acta Crystallographica Section B, 2017, 73, 203-209
2108091 CIF
HKL
C25 H20 I2 N4 O S2P -19.1203; 11.3562; 13.9355
77.294; 71.958; 77.39
1321.1Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.
Experimental investigation of halogen-bond hard‒soft acid‒base complementarity
Acta Crystallographica Section B, 2017, 73, 203-209
2108092 CIF
HKL
C24.97 H17.94 Cl1.94 I2 N4 S2P -17.727; 10.9671; 16.978
103.375; 98.725; 94.093
1375.04Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.
Experimental investigation of halogen-bond hard‒soft acid‒base complementarity
Acta Crystallographica Section B, 2017, 73, 203-209
2108093 CIF
HKL
C22 H16 I8 N2P 1 21/n 17.3983; 10.437; 41.8567
90; 93.424; 90
3226.2Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.
Experimental investigation of halogen-bond hard‒soft acid‒base complementarity
Acta Crystallographica Section B, 2017, 73, 203-209
2108094 CIF
HKL
Paper
C5 H7 N3 O6 SP n a 2117.891; 4.586; 10.941
90; 90; 90
897.7Bednarchuk, Tamara J.; Kowalska, Dorota; Kinzhybalo, Vasyl; Wołcyrz, Marek
Temperature-induced reversible structural phase transition and X-ray diffuse scattering in 2-amino-3-nitropyridinium hydrogen sulfate
Acta Crystallographica Section B, 2017, 73, 337-346
2108095 CIF
HKL
Paper
C5 H7 N3 O6 SP 1 21 19.051; 10.968; 18.268
90; 104.35; 90
1756.9Bednarchuk, Tamara J.; Kowalska, Dorota; Kinzhybalo, Vasyl; Wołcyrz, Marek
Temperature-induced reversible structural phase transition and X-ray diffuse scattering in 2-amino-3-nitropyridinium hydrogen sulfate
Acta Crystallographica Section B, 2017, 73, 337-346
2108096 CIF
HKL
Paper
C14 H6 Br2 I2 O6 UP 1 21/n 19.589; 17.193; 12.241
90; 101.085; 90
1980.4Kalaj, Mark; Carter, Korey P.; Cahill, Christopher L.
Utilizing bifurcated halogen-bonding interactions with the uranyl oxo group in the assembly of a UO~2~‒3-bromo-5-iodobenzoic acid coordination polymer
Acta Crystallographica Section B, 2017, 73, 234-239
2108097 CIF
HKL
Paper
C14 H14 N2 Ni2 O11P -113.7266; 16.9157; 16.908
69.7619; 69.3377; 69.3655
3325.9Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M.
An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O
Acta Crystallographica Section B, 2017, 73, 413-418
2108098 CIF
HKL
C56 H44 N8 Ni4 O44C 1 c 127.5303; 19.6477; 13.7534
90; 115.261; 90
6727.9Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M.
An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O
Acta Crystallographica Section B, 2017, 73, 413-418
2108099 CIF
HKL
C14 H12 N2 Ni O11P 1 21/c 113.6716; 10.0554; 13.7813
90; 115.185; 90
1714.46Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M.
An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O
Acta Crystallographica Section B, 2017, 73, 413-418
2108100 CIF
HKL
Paper
C55 H42.47 Cu2.24 N6 O17.88 P4 V1.94P -113.6173; 14.3205; 15.4896
77.4902; 71.7418; 76.5041
2755.4Bulut, Aysun; Wörle, Michael; Zorlu, Yunus; Kirpi, Erdogan; Kurt, Huseyin; Zubieta, Jon; Grabowsky, Simon; Beckmann, Jens; Yücesan, Gündoğ
A potential Cu/V-organophosphonate platform for tailored void spaces <i>via</i> terpyridine mold casting
Acta Crystallographica Section B, 2017, 73, 296-303
2108101 CIF
Paper
C27 H32 O14 P4C 1 2/c 129.093; 7.2893; 18.672
90; 127.61; 90
3136.8Bulut, Aysun; Wörle, Michael; Zorlu, Yunus; Kirpi, Erdogan; Kurt, Huseyin; Zubieta, Jon; Grabowsky, Simon; Beckmann, Jens; Yücesan, Gündoğ
A potential Cu/V-organophosphonate platform for tailored void spaces <i>via</i> terpyridine mold casting
Acta Crystallographica Section B, 2017, 73, 296-303
2108102 CIF
HKL
Paper
C12 H46 I12 N6 O5 Sb2P 1 2/c 116.205; 8.7361; 16.4295
90; 92.216; 90
2324.16Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108103 CIF
HKL
Paper
C12 H46 I12 N6 O5 Sb2P 1 2/c 116.0632; 8.6414; 16.3102
90; 91.994; 90
2262.6Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108104 CIF
HKL
Paper
C4 H20 I8 N2 O4 Sb2P 1 21/c 17.4437; 13.0949; 13.7941
90; 95.161; 90
1339.12Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108105 CIF
HKL
Paper
C4 H20 I8 N2 O4 Sb2P 1 21/c 17.31459; 12.9482; 13.8097
90; 94.56; 90
1303.79Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108106 CIF
HKL
Paper
C4 H12 I4 N2P -16.5154; 7.4946; 8.1299
64.759; 68.019; 69.5
324.27Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108107 CIF
HKL
Paper
C4 H12 I4 N2P -16.4948; 7.4032; 8.0819
64.087; 67.276; 69.593
314.73Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108108 CIF
HKL
Paper
C30 H48 N6 O11P -18.363; 9.394; 21.648
78.362; 88.664; 83.547
1655.2Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108109 CIF
HKL
C30 H46 N6 O10P 1 21/n 19.0367; 10.6221; 18.022
90; 102.661; 90
1687.8Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108110 CIFC30 H48 N6 O11P -18.3488; 9.356; 21.546
78.286; 88.61; 83.572
1637.6Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108111 CIFC30 H46 N6 O10P 1 21/n 19.02833; 10.6182; 18.0158
90; 102.62; 90
1685.35Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108112 CIFC30 H48 N6 O11P -18.3412; 9.356; 21.5561
78.318; 88.636; 83.546
1636.96Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108113 CIFC30 H46 N6 O10P 1 21/n 19.0297; 10.6234; 18.0121
90; 102.595; 90
1686.25Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108114 CIF
HKL
Paper
Cu0.966 Pb13.196 S24 Sb6.804P n m a24.0549; 4.1291; 11.3361
90; 90; 90
1126Bindi, Luca; Petříček, Václav; Biagioni, Cristian; Plášil, Jakub; Moëlo, Yves
Could incommensurability in sulfosalts be more common than thought? The case of meneghinite, CuPb~13~Sb~7~S~24~
Acta Crystallographica Section B, 2017, 73, 369-376
2108115 CIF
HKL
Paper
C24 H29 F4 I N2 OP -17.4374; 10.2935; 16.536
105.237; 101.641; 95.607
1181Saccone, Marco; Siiskonen, Antti; Fernandez-Palacio, Franisco; Priimagi, Arri; Terraneo, Giancarlo; Resnati, Giuseppe; Metrangolo, Pierangelo
Halogen bonding stabilizes a <i>cis</i>-azobenzene derivative in the solid state: a crystallographic study
Acta Crystallographica Section B, 2017, 73, 227-233
2108116 CIF
HKL
C24 H29 F4 I N2 OP 1 21/c 18.5802; 33.663; 8.752
90; 109.255; 90
2386.5Saccone, Marco; Siiskonen, Antti; Fernandez-Palacio, Franisco; Priimagi, Arri; Terraneo, Giancarlo; Resnati, Giuseppe; Metrangolo, Pierangelo
Halogen bonding stabilizes a <i>cis</i>-azobenzene derivative in the solid state: a crystallographic study
Acta Crystallographica Section B, 2017, 73, 227-233
2108117 CIF
HKL
Paper
C3 H14 N2 O4 S2P 21 21 218.4086; 9.787; 11.0477
90; 90; 90
909.17Brozdowska, 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
2108118 CIF
HKL
Paper
C3 H14 N2 O4 S2P 21 21 218.3714; 9.7607; 10.9874
90; 90; 90
897.79Brozdowska, 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
2108119 CIF
HKL
Paper
C3 H14 N2 O4 S2P 1 21/n 115.4097; 8.0868; 15.4133
90; 108.249; 90
1824.1Brozdowska, 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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

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