Search results

Formula: - F7 H12 Hf N3 -
Comments: Udovenko, 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 73(1) (2017) 1-9
Space group: F m -3 m
Cell volume: 829.63
Cell parameters: 9.3964; 9.3964; 9.3964; 90; 90; 90;

COD ID: 2020712

Formula: - F5 H12 N3 O2 Ti -
Comments: Udovenko, 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 73(1) (2017) 1-9
Space group: F m -3 m
Cell volume: 787.021
Cell parameters: 9.2327; 9.2327; 9.2327; 90; 90; 90;

COD ID: 2020744

Formula: - C12 H9 F N2 O -
Comments: Sirohiwal, 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 73(2) (2017)
Space group: P 1 21/n 1
Cell volume: 993.1
Cell parameters: 9.7681; 10.5358; 10.574; 90; 114.134; 90;

COD ID: 2021884

Formula: - H3.94 Li N0.984 O4 S Yb0.005 -
Comments: Sabalisck, 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 73(1) (2017) 122
Space group: P 1 21/c 1
Cell volume: 880.2
Cell parameters: 17.856; 5.008; 10.264; 90; 106.46; 90;

COD ID: 2021885

Formula: - H3.843 Li N0.961 O4 S Yb0.013 -
Comments: Sabalisck, 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 73(1) (2017) 122
Space group: P 1 21/c 1
Cell volume: 1779
Cell parameters: 10.177; 5.106; 34.234; 90; 90.2; 90;

COD ID: 2021886

Formula: - F5 H12 N3 O V -
Comments: Udovenko, 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 73(6) (2017) 1085
Space group: F m -3 m
Cell volume: 741.76
Cell parameters: 9.0522; 9.0522; 9.0522; 90; 90; 90;

COD ID: 2021887

Formula: - F5 H12 N3 O V -
Comments: Udovenko, 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 73(6) (2017) 1085
Space group: I m m m
Cell volume: 1091.15
Cell parameters: 6.2986; 9.1638; 18.9044; 90; 90; 90;

COD ID: 2021888

Formula: - F4 H12 N3 O2 V -
Comments: Udovenko, 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 73(6) (2017) 1085
Space group: I 2 2 2
Cell volume: 1080.33
Cell parameters: 6.2738; 9.1388; 18.8424; 90; 90; 90;

COD ID: 2021889

Formula: - B2 O5 Sr2 -
Comments: Volkov, 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 73(6) (2017) 1056
Space group: P 1 21/c 1
Cell volume: 491.62
Cell parameters: 7.763; 5.3386; 11.875; 90; 92.64; 90;

COD ID: 2021890

Formula: - B2 O5 Sr2 -
Comments: Volkov, 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 73(6) (2017) 1056
Space group: P 1 21/c 1
Cell volume: 245.84
Cell parameters: 3.882; 5.3386; 11.875; 90; 92.64; 90;

COD ID: 2021891

Formula: - B2 O5 Sr2 -
Comments: Volkov, 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 73(6) (2017) 1056
Space group: P -1
Cell volume: 1489.9
Cell parameters: 9.4662; 13.2754; 11.8671; 88.815; 91.651; 91.473;

COD ID: 2021892

Formula: - B2 O5 Sr2 -
Comments: Volkov, 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 73(6) (2017) 1056
Space group: P -1
Cell volume: 248.32
Cell parameters: 3.9001; 5.3685; 11.8671; 89.994; 92.008; 90.038;

COD ID: 2021893

Formula: - B2 O5 Sr2 -
Comments: Volkov, 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 73(6) (2017) 1056
Space group: P 1 21/c 1
Cell volume: 249.323
Cell parameters: 3.9125; 5.3699; 11.8732; 90; 91.849; 90;

COD ID: 2021894

Formula: - Cd113.75 Mg31.37 Yb24 -
Comments: Yamada, 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 73(6) (2017) 1125
Space group: I m -3
Cell volume: 3909.29
Cell parameters: 15.7531; 15.7531; 15.7531; 90; 90; 90;

COD ID: 2021895

Formula: - O5 Rb2 Ti2 -
Comments: Federicci, 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 73(6) (2017) 1142
Space group: C 1 2/m 1
Cell volume: 297.12
Cell parameters: 11.3457; 3.8195; 6.9699; 90; 100.359; 90;

COD ID: 2021896

Formula: - O5 Rb2 Ti2 -
Comments: Federicci, 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 73(6) (2017) 1142
Space group: C 1 2/m 1
Cell volume: 298.37
Cell parameters: 11.337; 3.8244; 6.9946; 90; 100.308; 90;

COD ID: 2021897

Formula: - O5 Rb2 Ti2 -
Comments: Federicci, 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 73(6) (2017) 1142
Space group: C 1 2/m 1
Cell volume: 298.82
Cell parameters: 11.3419; 3.8198; 7.0103; 90; 100.298; 90;

COD ID: 2021898

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1987.92
Cell parameters: 20.6578; 8.922; 13.9144; 90; 129.181; 90;

COD ID: 2021899

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1983.77
Cell parameters: 20.6416; 8.9068; 13.9075; 90; 129.118; 90;

COD ID: 2021900

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1981.28
Cell parameters: 20.6339; 8.8975; 13.9054; 90; 129.096; 90;

COD ID: 2021901

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1974.05
Cell parameters: 20.6096; 8.8814; 13.8865; 90; 129.047; 90;

COD ID: 2021902

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1970.88
Cell parameters: 20.5877; 8.8673; 13.8912; 90; 128.997; 90;

COD ID: 2021903

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1966.83
Cell parameters: 20.5748; 8.853; 13.8869; 90; 128.962; 90;

COD ID: 2021904

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1966.53
Cell parameters: 20.5719; 8.8396; 13.9003; 90; 128.924; 90;

COD ID: 2021905

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1959.04
Cell parameters: 20.5473; 8.8249; 13.8851; 90; 128.914; 90;

COD ID: 2021906

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1956.23
Cell parameters: 20.5418; 8.812; 13.8845; 90; 128.89; 90;

COD ID: 2021907

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1953.22
Cell parameters: 20.5237; 8.8033; 13.8813; 90; 128.85; 90;

COD ID: 2021908

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1951.27
Cell parameters: 20.5134; 8.7963; 13.8768; 90; 128.806; 90;

COD ID: 2021909

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1945.18
Cell parameters: 20.4891; 8.7848; 13.8632; 90; 128.781; 90;

COD ID: 2021910

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1944.64
Cell parameters: 20.5006; 8.7803; 13.8618; 90; 128.797; 90;

COD ID: 2021911

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1940.4
Cell parameters: 20.4756; 8.7798; 13.8428; 90; 128.764; 90;

COD ID: 2021912

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1938.95
Cell parameters: 20.463; 8.7767; 13.8368; 90; 128.717; 90;

COD ID: 2021913

Formula: - C4 H11 F N5 O4 P -
Comments: Matulková, 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 73(6) (2017) 1114
Space group: C 1 2/c 1
Cell volume: 1931.62
Cell parameters: 20.4273; 8.7714; 13.7988; 90; 128.623; 90;

COD ID: 2108027

Formula: - Fe2 O3 -
Comments: Fabrykiewicz, 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 73(1) (2017) 27-32
Space group: C 1 2/c 1
Cell volume: 201.349
Cell parameters: 9.61865; 5.03554; 13.75158; 90; 162.404; 90;

COD ID: 2108028

Formula: - Fe2 O3 -
Comments: Fabrykiewicz, 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 73(1) (2017) 27-32
Space group: C 1 2/c 1
Cell volume: 206.967
Cell parameters: 9.6892; 5.08737; 13.84868; 90; 162.351; 90;

COD ID: 2108029

Formula: - C4 H12 Cl N5 -
Comments: Niranjana 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 73(1) (2017) 10-22
Space group: P 1 21/c 1
Cell volume: 791.69
Cell parameters: 7.9104; 13.8794; 7.931; 90; 114.606; 90;

COD ID: 2108030

Formula: - C22 H24 Br F3 I3 N -
Comments: Szell, 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 73(2) (2017)
Space group: P b c a
Cell volume: 5460.2
Cell parameters: 15.7522; 22.3326; 15.5213; 90; 90; 90;

COD ID: 2108031

Formula: - C22 H24 Br F3 I3 N -
Comments: Szell, 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 73(2) (2017)
Space group: C 1 2/c 1
Cell volume: 11192
Cell parameters: 31.434; 14.8275; 26.724; 90; 116.034; 90;

COD ID: 2108032

Formula: - C47 H24 Br F6 I6 N2 P -
Comments: Szell, 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 73(2) (2017)
Space group: C 1 2/c 1
Cell volume: 5274.4
Cell parameters: 10.6026; 16.3599; 30.679; 90; 97.626; 90;

COD ID: 2108033

Formula: - C88 H40 Br2 F12 I12 P2 -
Comments: Szell, 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 73(2) (2017)
Space group: P a -3
Cell volume: 11230.5
Cell parameters: 22.3941; 22.3941; 22.3941; 90; 90; 90;

COD ID: 2108034

Formula: - C49 H26 Br F6 I6 N2 O P -
Comments: Szell, 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 73(2) (2017)
Space group: C 1 2/c 1
Cell volume: 5268
Cell parameters: 10.5098; 16.2789; 30.9417; 90; 95.6557; 90;

COD ID: 2108035

Formula: - C52 H26 Br F6 I6 N2 P -
Comments: Szell, 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 73(2) (2017)
Space group: C 1 2/c 1
Cell volume: 5305.8
Cell parameters: 10.5544; 16.4031; 30.8221; 90; 96.1095; 90;

COD ID: 2108036

Formula: - C45 H27 Br F5 I3 N P -
Comments: Szell, 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 73(2) (2017)
Space group: P 1 21/n 1
Cell volume: 4630.1
Cell parameters: 10.7807; 28.8937; 14.89; 90; 93.368; 90;

COD ID: 2108037

Formula: - C31 H24 Br F2 P -
Comments: Szell, 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 73(2) (2017)
Space group: P 1 21/n 1
Cell volume: 2629.53
Cell parameters: 10.7103; 18.0967; 13.6486; 90; 96.2767; 90;

COD ID: 2108042
CIF file HKL data	Formula: - Al4.847 O9.577 Si1.153 - Comments: Klar, 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 73(3) (2017) Space group: P b a m Cell volume: 167.84 Cell parameters: 7.5817; 7.6752; 2.8843; 90; 90; 90;

COD ID: 2108043
CIF file	Formula: - Al4.8 O9.6 Si1.2 - Comments: Klar, 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 73(3) (2017) Space group: B b 21 m Cell volume: 3356.8 Cell parameters: 75.817; 7.6752; 5.7686; 90; 90; 90;

COD ID: 2108049

Formula: - C8 H11 N2 O7.5 -
Comments: Yadav, 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 73(3) (2017) 347-359
Space group: P 21 21 2
Cell volume: 1076.76
Cell parameters: 19.7808; 8.9659; 6.0713; 90; 90; 90;

COD ID: 2108050

Formula: - C2 Ca K0.36 Na1.64 O6 -
Comments: Bolotina, 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 73(2) (2017) 276-284
Space group: C m c m
Cell volume: 567.04
Cell parameters: 5.062; 8.79; 12.744; 90; 90; 90;

COD ID: 2108051
CIF file Original IUCr paper	Formula: - C20 H23 N3 O10 S2 - Comments: Ikemoto, Kazuto; Mori, Shigeki; Mukai, Kazuo Synthesis and crystal structure of pyrroloquinoline quinol (PQQH~2~) and pyrroloquinoline quinone (PQQ) Acta Crystallographica Section B 73(3) (2017) 489-497 Space group: P n m a Cell volume: 2289.6 Cell parameters: 14.563; 6.748; 23.299; 90; 90; 90;

COD ID: 2108052

Formula: - C20 H24 N2 O11 S3 -
Comments: Ikemoto, Kazuto; Mori, Shigeki; Mukai, Kazuo Synthesis and crystal structure of pyrroloquinoline quinol (PQQH~2~) and pyrroloquinoline quinone (PQQ) Acta Crystallographica Section B 73(3) (2017) 489-497
Space group: P 21 21 21
Cell volume: 2448
Cell parameters: 6.901; 12.371; 28.674; 90; 90; 90;

COD ID: 2108053

Formula: - C14 H13 F4 I O2 S2 -
Comments: Sanjeeva, 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 73(2) (2017) 240-246
Space group: P -1
Cell volume: 822.28
Cell parameters: 5.1915; 11.1729; 15.037; 105.837; 90.773; 100.81;

COD ID: 2108054

Formula: - C40 H36 F8 I2 N2 O4 S4 -
Comments: Sanjeeva, 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 73(2) (2017) 240-246
Space group: P -1
Cell volume: 1057.9
Cell parameters: 7.7856; 10.1191; 14.647; 91.391; 101.045; 110.18;

COD ID: 2108055

Formula: - C14 H14 N2 O4 -
Comments: Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B 73(2) (2017) 285-295
Space group: I 1 2/a 1
Cell volume: 2606.7
Cell parameters: 20.333; 5.1356; 24.966; 90; 90.909; 90;

COD ID: 2108056
CIF file HKL data	Formula: - C14 H14 N2 O4 - Comments: Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B 73(2) (2017) 285-295 Space group: I 1 2/a 1 Cell volume: 2610.7 Cell parameters: 20.332; 5.1318; 25.024; 90; 90.917; 90;

COD ID: 2108057
CIF file HKL data	Formula: - C14 H14 N2 O4 - Comments: Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B 73(2) (2017) 285-295 Space group: I 1 2/a 1 Cell volume: 2601.2 Cell parameters: 20.296; 5.1263; 25.005; 90; 90.95; 90;

COD ID: 2108058
CIF file HKL data	Formula: - C14 H14 N2 O4 - Comments: Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B 73(2) (2017) 285-295 Space group: I 1 2/a 1 Cell volume: 2624.9 Cell parameters: 20.088; 5.2242; 25.033; 90; 92.308; 90;

COD ID: 2108059
CIF file HKL data	Formula: - C14 H14 N2 O4 - Comments: Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B 73(2) (2017) 285-295 Space group: I 1 2/a 1 Cell volume: 2623.2 Cell parameters: 20.084; 5.2206; 25.04; 90; 92.375; 90;

COD ID: 2108060
CIF file HKL data	Formula: - C14 H14 N2 O4 - Comments: Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B 73(2) (2017) 285-295 Space group: I 1 2/a 1 Cell volume: 2638.8 Cell parameters: 20.126; 5.2212; 25.134; 90; 92.401; 90;

COD ID: 2108061
CIF file HKL data	Formula: - C14 H14 N2 O4 - Comments: Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B 73(2) (2017) 285-295 Space group: I 1 2/a 1 Cell volume: 2652 Cell parameters: 20.161; 5.218; 25.234; 90; 92.559; 90;

COD ID: 2108062
CIF file HKL data	Formula: - C14 H14 N2 O4 - Comments: Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B 73(2) (2017) 285-295 Space group: I 1 2/a 1 Cell volume: 2675.3 Cell parameters: 20.246; 5.2132; 25.372; 90; 92.557; 90;

COD ID: 2108063

Formula: - C8 H40 Cr6 N4 O36 U4 -
Comments: Siidra, 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 73(1) (2017) 101-111
Space group: P 1 21 1
Cell volume: 1081.9
Cell parameters: 8.8638; 11.1097; 11.5441; 90; 107.878; 90;

COD ID: 2108064

Formula: - Cr H2.67 K0.47 O6.67 Rb0.19 U0.67 -
Comments: Siidra, 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 73(1) (2017) 101-111
Space group: P 1 21/c 1
Cell volume: 1906.7
Cell parameters: 11.0898; 10.5667; 16.2713; 90; 90.109; 90;

COD ID: 2108065

Formula: - C2.13 Cr0.8 N0.53 O4.53 U0.53 -
Comments: Siidra, 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 73(1) (2017) 101-111
Space group: P 1 21/c 1
Cell volume: 2473.7
Cell parameters: 11.4334; 11.525; 18.79; 90; 92.427; 90;

COD ID: 2108066
CIF file HKL data	Formula: - C8 H38 Cr6 N4 O35 U4 - Comments: Siidra, 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 73(1) (2017) 101-111 Space group: P 21 21 21 Cell volume: 4076.7 Cell parameters: 11.1281; 11.152; 32.85; 90; 90; 90;

COD ID: 2108067

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -1
Cell volume: 946.72
Cell parameters: 8.9545; 10.1012; 11.5659; 85.879; 89.31; 65.16;

COD ID: 2108068

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -1
Cell volume: 951.59
Cell parameters: 8.9612; 10.1111; 11.5984; 85.951; 89.29; 65.221;

COD ID: 2108069

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -1
Cell volume: 965.1
Cell parameters: 8.9788; 10.1598; 11.6606; 86.014; 89.423; 65.463;

COD ID: 2108070

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -1
Cell volume: 976.1
Cell parameters: 9.0047; 10.2138; 11.6756; 86.394; 89.775; 65.652;

COD ID: 2108071

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -1
Cell volume: 998.56
Cell parameters: 8.9569; 10.7763; 11.7042; 85.308; 87.784; 62.483;

COD ID: 2108072

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -1
Cell volume: 1021.1
Cell parameters: 9.008; 10.899; 11.769; 85.328; 87.483; 62.462;

COD ID: 2108073

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3155.72
Cell parameters: 20.1281; 20.1281; 8.9942; 90; 90; 120;

COD ID: 2108074

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3202.4
Cell parameters: 20.255; 20.255; 9.0132; 90; 90; 120;

COD ID: 2108075

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3233.3
Cell parameters: 20.3624; 20.3624; 9.0045; 90; 90; 120;

COD ID: 2108076

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3271.9
Cell parameters: 20.4697; 20.4697; 9.0166; 90; 90; 120;

COD ID: 2108077

Formula: - C38 H46 Br4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3356.7
Cell parameters: 20.688; 20.688; 9.0563; 90; 90; 120;

COD ID: 2108078

Formula: - C38 H46 Cl4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3085.5
Cell parameters: 20.0094; 20.0094; 8.8987; 90; 90; 120;

COD ID: 2108079

Formula: - C38 H46 Cl4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3144
Cell parameters: 20.166; 20.166; 8.9271; 90; 90; 120;

COD ID: 2108080

Formula: - C38 H46 Cl4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3170
Cell parameters: 20.243; 20.243; 8.933; 90; 90; 120;

COD ID: 2108081

Formula: - C38 H46 Cl4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3203
Cell parameters: 20.334; 20.334; 8.945; 90; 90; 120;

COD ID: 2108082

Formula: - C38 H46 Cl4 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -3
Cell volume: 3327
Cell parameters: 20.643; 20.643; 9.015; 90; 90; 120;

COD ID: 2108083

Formula: - C38 H44 Br6 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -1
Cell volume: 1083.64
Cell parameters: 8.8113; 10.7232; 11.522; 91.925; 93.441; 93.722;

COD ID: 2108084

Formula: - C38 H44 Br6 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -1
Cell volume: 1074.69
Cell parameters: 8.807; 10.6922; 11.4658; 91.692; 93.393; 93.903;

COD ID: 2108085

Formula: - C38 H44 Br6 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -1
Cell volume: 1113.43
Cell parameters: 8.8725; 10.798; 11.6965; 92.641; 94.358; 93.791;

COD ID: 2108086

Formula: - C38 H44 Cl6 Co N2 O4 -
Comments: Hathwar, 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 73(2) (2017) 304-312
Space group: P -1
Cell volume: 1058.92
Cell parameters: 8.7762; 10.5578; 11.4878; 91.565; 93.882; 93.95;

COD ID: 2108087

Formula: - C66 H36 F16 I8 N6 -
Comments: Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled via bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor Acta Crystallographica Section B 73(2) (2017) 247-254
Space group: C 1 2/c 1
Cell volume: 6911
Cell parameters: 11.455; 27.777; 21.823; 90; 95.607; 90;

COD ID: 2108088

Formula: - C54 H32 F4 I2 N4 -
Comments: Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled via bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor Acta Crystallographica Section B 73(2) (2017) 247-254
Space group: P 1 21/c 1
Cell volume: 2176
Cell parameters: 7.367; 11.435; 25.882; 90; 93.609; 90;

COD ID: 2108089

Formula: - C30 H12 Cl4 F4 I2 N4 -
Comments: Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled via bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor Acta Crystallographica Section B 73(2) (2017) 247-254
Space group: P 1 21/c 1
Cell volume: 1508.8
Cell parameters: 10.5713; 21.091; 7.1214; 90; 108.149; 90;

COD ID: 2108090

Formula: - C27 H23 F6 I2 N3 O7 S2 -
Comments: Riel, 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 73(2) (2017) 203-209
Space group: P b c n
Cell volume: 3303.4
Cell parameters: 22.4519; 18.1915; 8.0879; 90; 90; 90;

COD ID: 2108091

Formula: - C25 H20 I2 N4 O S2 -
Comments: Riel, 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 73(2) (2017) 203-209
Space group: P -1
Cell volume: 1321.1
Cell parameters: 9.1203; 11.3562; 13.9355; 77.294; 71.958; 77.39;

COD ID: 2108092

Formula: - C24.97 H17.94 Cl1.94 I2 N4 S2 -
Comments: Riel, 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 73(2) (2017) 203-209
Space group: P -1
Cell volume: 1375.04
Cell parameters: 7.727; 10.9671; 16.978; 103.375; 98.725; 94.093;

COD ID: 2108093

Formula: - C22 H16 I8 N2 -
Comments: Riel, 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 73(2) (2017) 203-209
Space group: P 1 21/n 1
Cell volume: 3226.2
Cell parameters: 7.3983; 10.437; 41.8567; 90; 93.424; 90;

COD ID: 2108094

Formula: - C5 H7 N3 O6 S -
Comments: Bednarchuk, 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 73(3) (2017) 337-346
Space group: P n a 21
Cell volume: 897.7
Cell parameters: 17.891; 4.586; 10.941; 90; 90; 90;

COD ID: 2108095

Formula: - C5 H7 N3 O6 S -
Comments: Bednarchuk, 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 73(3) (2017) 337-346
Space group: P 1 21 1
Cell volume: 1756.9
Cell parameters: 9.051; 10.968; 18.268; 90; 104.35; 90;

COD ID: 2108096

Formula: - C14 H6 Br2 I2 O6 U -
Comments: Kalaj, 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 73(2) (2017) 234-239
Space group: P 1 21/n 1
Cell volume: 1980.4
Cell parameters: 9.589; 17.193; 12.241; 90; 101.085; 90;

COD ID: 2108097

Formula: - C14 H14 N2 Ni2 O11 -
Comments: Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M. An ordering phase transition, short hydrogen bonds and high Z' in the structure of Ni(Hpydc)~2~·3H~2~O Acta Crystallographica Section B 73(3) (2017) 413-418
Space group: P -1
Cell volume: 3325.9
Cell parameters: 13.7266; 16.9157; 16.908; 69.7619; 69.3377; 69.3655;

COD ID: 2108098
CIF file HKL data	Formula: - C56 H44 N8 Ni4 O44 - Comments: Derikvand, 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 73(3) (2017) 413-418 Space group: C 1 c 1 Cell volume: 6727.9 Cell parameters: 27.5303; 19.6477; 13.7534; 90; 115.261; 90;

COD ID: 2108099
CIF file HKL data	Formula: - C14 H12 N2 Ni O11 - Comments: Derikvand, 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 73(3) (2017) 413-418 Space group: P 1 21/c 1 Cell volume: 1714.46 Cell parameters: 13.6716; 10.0554; 13.7813; 90; 115.185; 90;

COD ID: 2108100

Formula: - C55 H42.47 Cu2.24 N6 O17.88 P4 V1.94 -
Comments: Bulut, 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 via terpyridine mold casting Acta Crystallographica Section B 73(2) (2017) 296-303
Space group: P -1
Cell volume: 2755.4
Cell parameters: 13.6173; 14.3205; 15.4896; 77.4902; 71.7418; 76.5041;

COD ID: 2108101

Formula: - C27 H32 O14 P4 -
Comments: Bulut, 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 via terpyridine mold casting Acta Crystallographica Section B 73(2) (2017) 296-303
Space group: C 1 2/c 1
Cell volume: 3136.8
Cell parameters: 29.093; 7.2893; 18.672; 90; 127.61; 90;

COD ID: 2108102

Formula: - C12 H46 I12 N6 O5 Sb2 -
Comments: Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B 73(3) (2017) 432-442
Space group: P 1 2/c 1
Cell volume: 2324.16
Cell parameters: 16.205; 8.7361; 16.4295; 90; 92.216; 90;

COD ID: 2108103

Formula: - C12 H46 I12 N6 O5 Sb2 -
Comments: Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B 73(3) (2017) 432-442
Space group: P 1 2/c 1
Cell volume: 2262.6
Cell parameters: 16.0632; 8.6414; 16.3102; 90; 91.994; 90;

COD ID: 2108104

Formula: - C4 H20 I8 N2 O4 Sb2 -
Comments: Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B 73(3) (2017) 432-442
Space group: P 1 21/c 1
Cell volume: 1339.12
Cell parameters: 7.4437; 13.0949; 13.7941; 90; 95.161; 90;

COD ID: 2108105

Formula: - C4 H20 I8 N2 O4 Sb2 -
Comments: Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B 73(3) (2017) 432-442
Space group: P 1 21/c 1
Cell volume: 1303.79
Cell parameters: 7.31459; 12.9482; 13.8097; 90; 94.56; 90;

COD ID: 2108106

Formula: - C4 H12 I4 N2 -
Comments: Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B 73(3) (2017) 432-442
Space group: P -1
Cell volume: 324.27
Cell parameters: 6.5154; 7.4946; 8.1299; 64.759; 68.019; 69.5;

COD ID: 2108107

Formula: - C4 H12 I4 N2 -
Comments: Bujak, Maciej Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron Acta Crystallographica Section B 73(3) (2017) 432-442
Space group: P -1
Cell volume: 314.73
Cell parameters: 6.4948; 7.4032; 8.0819; 64.087; 67.276; 69.593;

COD ID: 2108108

Formula: - C30 H48 N6 O11 -
Comments: Tedesco, 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 73(3) (2017) 399-412
Space group: P -1
Cell volume: 1655.2
Cell parameters: 8.363; 9.394; 21.648; 78.362; 88.664; 83.547;

COD ID: 2108109

Formula: - C30 H46 N6 O10 -
Comments: Tedesco, 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 73(3) (2017) 399-412
Space group: P 1 21/n 1
Cell volume: 1687.8
Cell parameters: 9.0367; 10.6221; 18.022; 90; 102.661; 90;

COD ID: 2108110

Formula: - C30 H48 N6 O11 -
Comments: Tedesco, 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 73(3) (2017) 399-412
Space group: P -1
Cell volume: 1637.6
Cell parameters: 8.3488; 9.356; 21.546; 78.286; 88.61; 83.572;

COD ID: 2108111

Formula: - C30 H46 N6 O10 -
Comments: Tedesco, 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 73(3) (2017) 399-412
Space group: P 1 21/n 1
Cell volume: 1685.35
Cell parameters: 9.02833; 10.6182; 18.0158; 90; 102.62; 90;

COD ID: 2108112

Formula: - C30 H48 N6 O11 -
Comments: Tedesco, 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 73(3) (2017) 399-412
Space group: P -1
Cell volume: 1636.96
Cell parameters: 8.3412; 9.356; 21.5561; 78.318; 88.636; 83.546;

COD ID: 2108113

Formula: - C30 H46 N6 O10 -
Comments: Tedesco, 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 73(3) (2017) 399-412
Space group: P 1 21/n 1
Cell volume: 1686.25
Cell parameters: 9.0297; 10.6234; 18.0121; 90; 102.595; 90;

COD ID: 2108114

Formula: - Cu0.966 Pb13.196 S24 Sb6.804 -
Comments: Bindi, 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 73(3) (2017) 369-376
Space group: P n m a
Cell volume: 1126
Cell parameters: 24.0549; 4.1291; 11.3361; 90; 90; 90;

COD ID: 2108115

Formula: - C24 H29 F4 I N2 O -
Comments: Saccone, Marco; Siiskonen, Antti; Fernandez-Palacio, Franisco; Priimagi, Arri; Terraneo, Giancarlo; Resnati, Giuseppe; Metrangolo, Pierangelo Halogen bonding stabilizes a cis-azobenzene derivative in the solid state: a crystallographic study Acta Crystallographica Section B 73(2) (2017) 227-233
Space group: P -1
Cell volume: 1181
Cell parameters: 7.4374; 10.2935; 16.536; 105.237; 101.641; 95.607;

COD ID: 2108116

Formula: - C24 H29 F4 I N2 O -
Comments: Saccone, Marco; Siiskonen, Antti; Fernandez-Palacio, Franisco; Priimagi, Arri; Terraneo, Giancarlo; Resnati, Giuseppe; Metrangolo, Pierangelo Halogen bonding stabilizes a cis-azobenzene derivative in the solid state: a crystallographic study Acta Crystallographica Section B 73(2) (2017) 227-233
Space group: P 1 21/c 1
Cell volume: 2386.5
Cell parameters: 8.5802; 33.663; 8.752; 90; 109.255; 90;

COD ID: 2108117

Formula: - C3 H14 N2 O4 S2 -
Comments: Brozdowska, Agnieszka; Chojnacki, Jarosław Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates Acta Crystallographica Section B 73(3) (2017) 507-518
Space group: P 21 21 21
Cell volume: 909.17
Cell parameters: 8.4086; 9.787; 11.0477; 90; 90; 90;

COD ID: 2108118

Formula: - C3 H14 N2 O4 S2 -
Comments: Brozdowska, Agnieszka; Chojnacki, Jarosław Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates Acta Crystallographica Section B 73(3) (2017) 507-518
Space group: P 21 21 21
Cell volume: 897.79
Cell parameters: 8.3714; 9.7607; 10.9874; 90; 90; 90;

COD ID: 2108119

Formula: - C3 H14 N2 O4 S2 -
Comments: Brozdowska, Agnieszka; Chojnacki, Jarosław Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates Acta Crystallographica Section B 73(3) (2017) 507-518
Space group: P 1 21/n 1
Cell volume: 1824.1
Cell parameters: 15.4097; 8.0868; 15.4133; 90; 108.249; 90;

COD ID: 2108120

Formula: - C4 H14 N2 O3 S2 -
Comments: Brozdowska, Agnieszka; Chojnacki, Jarosław Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates Acta Crystallographica Section B 73(3) (2017) 507-518
Space group: P -1
Cell volume: 460.05
Cell parameters: 6.0538; 8.5273; 9.3869; 73.623; 82.681; 84.207;

COD ID: 2108121

Formula: - C5 H16 N2 O3.5 S2 -
Comments: Brozdowska, Agnieszka; Chojnacki, Jarosław Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates Acta Crystallographica Section B 73(3) (2017) 507-518
Space group: P 43 21 2
Cell volume: 2262.6
Cell parameters: 11.7872; 11.7872; 16.2851; 90; 90; 90;

COD ID: 2108122

Formula: - C6 H18 N2 O3 S2 -
Comments: Brozdowska, Agnieszka; Chojnacki, Jarosław Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates Acta Crystallographica Section B 73(3) (2017) 507-518
Space group: P -1
Cell volume: 1150.9
Cell parameters: 10.4922; 11.1455; 11.7015; 62.299; 74.938; 74.082;

COD ID: 2108123

Formula: - C42 H18 F12 I6 N2 S2 -
Comments: Wang, 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 73(2) (2017) 210-216
Space group: P -1
Cell volume: 1110.53
Cell parameters: 5.9807; 14.139; 14.2774; 68.516; 81.348; 86.09;

COD ID: 2108124

Formula: - C10 H8 O8 Zn -
Comments: Huang, 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 73(4) (2017) 715-721
Space group: C 1 2/c 1
Cell volume: 1065.06
Cell parameters: 15.3546; 5.8885; 11.9905; 90; 100.762; 90;

COD ID: 2108125

Formula: - C26 H22 N2 O14 Zn2 -
Comments: Huang, 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 73(4) (2017) 715-721
Space group: P b c a
Cell volume: 5733.2
Cell parameters: 16.1578; 16.5129; 21.4877; 90; 90; 90;

COD ID: 2108126

Formula: - C18 H24 Cd N2 O9 -
Comments: Huang, 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 73(4) (2017) 715-721
Space group: P 1 21/c 1
Cell volume: 2151.97
Cell parameters: 10.9131; 11.3385; 17.4385; 90; 94.215; 90;

COD ID: 2108127

Formula: - C10 H16 Co N0 O12 -
Comments: Huang, 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 73(4) (2017) 715-721
Space group: P -1
Cell volume: 356.02
Cell parameters: 5.5872; 6.6969; 10.5753; 77.217; 74.884; 70.434;

COD ID: 2108128

Formula: - C12 H29 Br2 Ca O15 -
Comments: Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola Synthesis, structure and non-linear optical properties of new isostructural β-D-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study Acta Crystallographica Section B 73(4) (2017) 737-743
Space group: C 1 2 1
Cell volume: 1137.75
Cell parameters: 16.1449; 7.8881; 11.4702; 90; 128.842; 90;

COD ID: 2108129

Formula: - C12 H29 Br2 O15 Sr -
Comments: Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola Synthesis, structure and non-linear optical properties of new isostructural β-D-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study Acta Crystallographica Section B 73(4) (2017) 737-743
Space group: C 1 2 1
Cell volume: 1161.2
Cell parameters: 16.439; 8.024; 11.1931; 90; 128.142; 90;

COD ID: 2108130

Formula: - C7 H6 O2 S -
Comments: Pavan, 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 73(4) (2017) 626-633
Space group: P 1 21/c 1
Cell volume: 668.99
Cell parameters: 7.84809; 5.89857; 14.6898; 90; 100.338; 90;

COD ID: 2108131
CIF file HKL data	Formula: - C7 H6 O2 S - Comments: Pavan, 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 73(4) (2017) 626-633 Space group: P 1 21/n 1 Cell volume: 694.1 Cell parameters: 4.7811; 5.7441; 25.353; 90; 94.49; 90;

COD ID: 2108132
CIF file HKL data	Formula: - C7 H6 O2 S - Comments: Pavan, 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 73(4) (2017) 626-633 Space group: P -1 Cell volume: 336.29 Cell parameters: 3.863; 6.0337; 14.4721; 91.302; 93.062; 92.925;

COD ID: 2108133

Formula: - C18 H12 N6 Ni S4 -
Comments: Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3d metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B 73(4) (2017) 634-642
Space group: P -1
Cell volume: 509.94
Cell parameters: 7.446; 8.8942; 9.2799; 114.992; 94.904; 108.68;

COD ID: 2108134
CIF file HKL data	Formula: - C13 H6 N5 Ni S4 - Comments: Chuang, 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 73(4) (2017) 634-642 Space group: P 1 21/c 1 Cell volume: 1568.2 Cell parameters: 16.1805; 6.3567; 17.0872; 90; 116.837; 90;

COD ID: 2108135
CIF file HKL data	Formula: - C18 H12 Cu N6 S4 - Comments: Chuang, 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 73(4) (2017) 634-642 Space group: P -1 Cell volume: 520.01 Cell parameters: 7.5458; 9.0111; 9.2574; 115.334; 95.223; 108.563;

COD ID: 2108136
CIF file HKL data	Formula: - C13 H6 Cu N5 S4 - Comments: Chuang, 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 73(4) (2017) 634-642 Space group: P 1 21/c 1 Cell volume: 1564 Cell parameters: 17.418; 6.1838; 18.165; 90; 126.93; 90;

COD ID: 2108137
CIF file HKL data	Formula: - C18 H12 N6 Ni S4 - Comments: Chuang, 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 73(4) (2017) 634-642 Space group: P -1 Cell volume: 507.94 Cell parameters: 7.4307; 8.9072; 9.2445; 115.167; 94.727; 108.525;

COD ID: 2108138
CIF file HKL data	Formula: - C13 H6 N5 Ni S4 - Comments: Chuang, 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 73(4) (2017) 634-642 Space group: P 1 21/c 1 Cell volume: 1552.77 Cell parameters: 16.0654; 6.3464; 17.0333; 90; 116.606; 90;

COD ID: 2108139

Formula: - C13 H15 Co N2 O7 -
Comments: Cox, 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 in situ X-ray diffraction Acta Crystallographica Section B 73(4) (2017) 669-674
Space group: P 1 21/c 1
Cell volume: 1481.7
Cell parameters: 12.655; 7.6693; 15.934; 90; 106.636; 90;

COD ID: 2108140

Formula: - C15 H17 Co N2 O6 -
Comments: Cox, 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 in situ X-ray diffraction Acta Crystallographica Section B 73(4) (2017) 669-674
Space group: P 1 21/c 1
Cell volume: 1504
Cell parameters: 12.899; 7.638; 16.085; 90; 108.337; 90;

COD ID: 2108141

Formula: - C15 H15 Co N2 O5 -
Comments: Cox, 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 in situ X-ray diffraction Acta Crystallographica Section B 73(4) (2017) 669-674
Space group: P 1 21/c 1
Cell volume: 1460.1
Cell parameters: 12.631; 7.5996; 16.109; 90; 109.223; 90;

COD ID: 2108142

Formula: - Al2 Mg3 O12 Si3 -
Comments: Destro, Riccardo; Ruffo, Riccardo; Roversi, Pietro; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo Anharmonic motions versus 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 73(4) (2017) 722-736
Space group: I a -3 d
Cell volume: 1497.39
Cell parameters: 11.4405; 11.4405; 11.4405; 90; 90; 90;

COD ID: 2108143

Formula: - C28 H38 N4 O4 S2 -
Comments: Voufack, 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 73(4) (2017) 544-549
Space group: P 1 21/a 1
Cell volume: 1422.35
Cell parameters: 9.34; 19.482; 8.634; 90; 115.13; 90;

COD ID: 2108144

Formula: - C16 H10 O2 -
Comments: Casati, 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 73(4) (2017) 584-597
Space group: P 1 21/n 1
Cell volume: 989.59
Cell parameters: 8.8423; 12.2033; 9.1817; 90; 92.78; 90;

COD ID: 2108145

Formula: - C16 H10 O2 -
Comments: Casati, 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 73(4) (2017) 584-597
Space group: P 1 21/n 1
Cell volume: 915.37
Cell parameters: 8.7168; 11.8642; 8.8601; 90; 92.569; 90;

COD ID: 2108146

Formula: - C16 H10 O2 -
Comments: Casati, 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 73(4) (2017) 584-597
Space group: P 1 21/n 1
Cell volume: 881.88
Cell parameters: 8.6563; 11.7038; 8.714; 90; 92.652; 90;

COD ID: 2108147

Formula: - C16 H10 O2 -
Comments: Casati, 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 73(4) (2017) 584-597
Space group: P 1 21/n 1
Cell volume: 850.58
Cell parameters: 8.5923; 11.5463; 8.584; 90; 92.826; 90;

COD ID: 2108148

Formula: - C16 H10 O2 -
Comments: Casati, 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 73(4) (2017) 584-597
Space group: P 1 21/n 1
Cell volume: 835.06
Cell parameters: 8.5652; 11.4704; 8.5109; 90; 92.95; 90;

COD ID: 2108149

Formula: - C16 H10 O2 -
Comments: Casati, 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 73(4) (2017) 584-597
Space group: P 1 21/n 1
Cell volume: 858.8
Cell parameters: 8.6187; 11.5861; 8.6105; 90; 92.788; 90;

COD ID: 2108150

Formula: - C9 H12 K N2 O9 P -
Comments: Jarzembska, 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 73(4) (2017) 550-564
Space group: P 21 21 21
Cell volume: 1347.08
Cell parameters: 8.063; 10.4358; 16.0092; 90; 90; 90;

COD ID: 2108151

Formula: - C9 H12 K N2 O9 P -
Comments: Jarzembska, 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 73(4) (2017) 550-564
Space group: P 21 21 21
Cell volume: 1342.1
Cell parameters: 8.0754; 10.387; 16; 90; 90; 90;

COD ID: 2108152

Formula: - C9 H12 K N2 O9 P -
Comments: Jarzembska, 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 73(4) (2017) 550-564
Space group: P 21 21 21
Cell volume: 1345.59
Cell parameters: 8.0778; 10.4023; 16.0137; 90; 90; 90;

COD ID: 2108153

Formula: - C9 H12 K N2 O9 P -
Comments: Jarzembska, 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 73(4) (2017) 550-564
Space group: P 21 21 21
Cell volume: 1358.34
Cell parameters: 8.067; 10.4871; 16.0561; 90; 90; 90;

COD ID: 2108154

Formula: - C9 H12 K N2 O9 P -
Comments: Jarzembska, 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 73(4) (2017) 550-564
Space group: P 21 21 21
Cell volume: 1367.16
Cell parameters: 8.0835; 10.5221; 16.0738; 90; 90; 90;

COD ID: 2108158
CIF file	Formula: - H3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 1 21/c 1 Cell volume: 313.5 Cell parameters: 5.707; 4.82; 11.436; 90; 94.75; 90;

COD ID: 2108159
CIF file	Formula: - H3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 563.2 Cell parameters: 4.619; 8.479; 14.38; 90; 90; 90;

COD ID: 2108160
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 1 21/c 1 Cell volume: 321.9 Cell parameters: 5.7493; 4.83921; 11.617; 90; 95.15; 90;

COD ID: 2108161
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 1 21/c 1 Cell volume: 312.77 Cell parameters: 5.6927; 4.81609; 11.4468; 90; 94.704; 90;

COD ID: 2108162
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 1 21/c 1 Cell volume: 304.22 Cell parameters: 5.6334; 4.78996; 11.3055; 90; 94.255; 90;

COD ID: 2108163
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 1 21/c 1 Cell volume: 295.88 Cell parameters: 5.5686; 4.7647; 11.1762; 90; 93.81; 90;

COD ID: 2108164
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 1 21/c 1 Cell volume: 291.88 Cell parameters: 5.5356; 4.7522; 11.1169; 90; 93.561; 90;

COD ID: 2108165
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 1 21/c 1 Cell volume: 288.28 Cell parameters: 5.5049; 4.7401; 11.0668; 90; 93.355; 90;

COD ID: 2108166
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 1 21/c 1 Cell volume: 280.78 Cell parameters: 5.4357; 4.7148; 10.9698; 90; 92.874; 90;

COD ID: 2108167
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 1 21/c 1 Cell volume: 277.32 Cell parameters: 5.403; 4.7036; 10.9238; 90; 92.633; 90;

COD ID: 2108168
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 1 21/c 1 Cell volume: 321.29 Cell parameters: 5.7466; 4.8378; 11.6028; 90; 95.107; 90;

COD ID: 2108169
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 585.83 Cell parameters: 4.6648; 8.6057; 14.5932; 90; 90; 90;

COD ID: 2108170
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 577.26 Cell parameters: 4.6494; 8.558; 14.5078; 90; 90; 90;

COD ID: 2108171
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 569.51 Cell parameters: 4.6332; 8.5169; 14.4323; 90; 90; 90;

COD ID: 2108172
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 563.83 Cell parameters: 4.6206; 8.481; 14.388; 90; 90; 90;

COD ID: 2108173
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 557.88 Cell parameters: 4.6022; 8.4597; 14.3291; 90; 90; 90;

COD ID: 2108174
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 555.27 Cell parameters: 4.598; 8.4429; 14.3036; 90; 90; 90;

COD ID: 2108175
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 553.06 Cell parameters: 4.5932; 8.4323; 14.2795; 90; 90; 90;

COD ID: 2108176
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 551.15 Cell parameters: 4.5868; 8.4232; 14.2653; 90; 90; 90;

COD ID: 2108177
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 549.02 Cell parameters: 4.5831; 8.411; 14.2424; 90; 90; 90;

COD ID: 2108178
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 547.22 Cell parameters: 4.5791; 8.4031; 14.2214; 90; 90; 90;

COD ID: 2108179
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 542.31 Cell parameters: 4.5689; 8.3733; 14.1755; 90; 90; 90;

COD ID: 2108180
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 540.05 Cell parameters: 4.5639; 8.3606; 14.1535; 90; 90; 90;

COD ID: 2108181
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 538.1 Cell parameters: 4.5599; 8.3496; 14.1332; 90; 90; 90;

COD ID: 2108182
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 535.64 Cell parameters: 4.5549; 8.3362; 14.1067; 90; 90; 90;

COD ID: 2108183
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 531.24 Cell parameters: 4.5456; 8.3104; 14.0631; 90; 90; 90;

COD ID: 2108184
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 524.59 Cell parameters: 4.5338; 8.2726; 13.9867; 90; 90; 90;

COD ID: 2108185
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 518.14 Cell parameters: 4.5214; 8.2332; 13.9189; 90; 90; 90;

COD ID: 2108186
CIF file	Formula: - D3 O4 P - Comments: Bull, 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 73(6) (2017) 1068-1074 Space group: P 21 21 21 Cell volume: 512.75 Cell parameters: 4.5121; 8.2009; 13.8569; 90; 90; 90;

COD ID: 2108187

Formula: - C10 H11 N O2 -
Comments: Truong, 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 73(6) (2017) 1172-1178
Space group: C 1 2/c 1
Cell volume: 922.29
Cell parameters: 11.0366; 13.2899; 6.3763; 90; 99.548; 90;

COD ID: 2108188

Formula: - C10 H11 N O2 -
Comments: Truong, 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 73(6) (2017) 1172-1178
Space group: P -1
Cell volume: 453.17
Cell parameters: 6.2755; 8.6368; 8.657; 101.482; 96.2307; 96.0785;

COD ID: 2108189

Formula: - C4 H14 Cl4 Ir K O3 S2 -
Comments: Ridgway, 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 73(6) (2017) 1032-1042
Space group: P 1 21/c 1
Cell volume: 1492.03
Cell parameters: 12.1963; 7.4652; 16.4793; 90; 96.055; 90;

COD ID: 2108190

Formula: - C4 H12.5 Cl4 Ir K O2.25 S2 -
Comments: Ridgway, 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 73(6) (2017) 1032-1042
Space group: P 1 21/c 1
Cell volume: 1424.29
Cell parameters: 12.753; 7.8356; 15.3277; 90; 111.581; 90;

COD ID: 2108191

Formula: - C8 H25 Cl4 Ir N O2.5 S2 -
Comments: Ridgway, 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 73(6) (2017) 1032-1042
Space group: C 1 2/c 1
Cell volume: 3706.01
Cell parameters: 19.821; 10.083; 19.572; 90; 108.657; 90;

COD ID: 2108192

Formula: - C4 H12 Cl4 Ir K O2 S2 -
Comments: Ridgway, 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 73(6) (2017) 1032-1042
Space group: P 1 21/n 1
Cell volume: 1469.4
Cell parameters: 8.9902; 15.199; 10.7569; 90; 91.425; 90;

COD ID: 2108193

Formula: - C6 H13 N O2 -
Comments: Czech, Christian; Glinnemann, Jürgen; Johansson, Kristoffer E.; Bolte, Michael; Schmidt, Martin U. On the stacking disorder of DL-norleucine Acta Crystallographica Section B 73(6) (2017) 1075-1084
Space group: C 1 2/c 1
Cell volume: 1457.82
Cell parameters: 31.231; 4.7296; 9.8739; 90; 91.719; 90;

COD ID: 2108194

Formula: - H7.84 K1.29 N1.71 O8 S2 -
Comments: Selezneva, 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 73(6) (2017) 1105-1113
Space group: R -3 :H
Cell volume: 638.65
Cell parameters: 5.7768; 5.7768; 22.0983; 90; 90; 120;

COD ID: 2108195

Formula: - C15 H19 N2 O2.5 S -
Comments: Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of cis- and trans-diketopiperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B 73(6) (2017) 1179-1193
Space group: P 31
Cell volume: 2239.61
Cell parameters: 8.4102; 8.4102; 36.562; 90; 90; 120;

COD ID: 2108196

Formula: - C15 H18 N2 O2 S -
Comments: Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of cis- and trans-diketopiperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B 73(6) (2017) 1179-1193
Space group: P 21 21 21
Cell volume: 1451.55
Cell parameters: 6.2287; 8.9737; 25.9694; 90; 90; 90;

COD ID: 2108197

Formula: - C15 H18 N2 O2 S -
Comments: Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of cis- and trans-diketopiperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B 73(6) (2017) 1179-1193
Space group: P 1 21 1
Cell volume: 1404.75
Cell parameters: 7.3126; 27.1077; 7.3745; 90; 106.064; 90;

COD ID: 2108198

Formula: - C15 H18 N2 O2 S -
Comments: Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of cis- and trans-diketopiperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B 73(6) (2017) 1179-1193
Space group: P 1 21 1
Cell volume: 1455.76
Cell parameters: 9.8928; 9.0312; 16.447; 90; 97.8246; 90;

COD ID: 2108199

Formula: - C15 H18 N2 O2 S -
Comments: Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of cis- and trans-diketopiperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B 73(6) (2017) 1179-1193
Space group: P 1
Cell volume: 695.31
Cell parameters: 7.4536; 7.4603; 13.6011; 79.6877; 89.2981; 69.3688;

COD ID: 2108200

Formula: - C15 H18 N2 O2 S -
Comments: Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of cis- and trans-diketopiperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B 73(6) (2017) 1179-1193
Space group: P 21 21 21
Cell volume: 1438.39
Cell parameters: 9.8689; 10.6838; 13.6421; 90; 90; 90;

COD ID: 2108201

Formula: - C14 H16 N2 O2 S -
Comments: Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of cis- and trans-diketopiperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B 73(6) (2017) 1179-1193
Space group: P 43 21 2
Cell volume: 2610.06
Cell parameters: 7.743; 7.743; 43.5343; 90; 90; 90;

COD ID: 2108202

Formula: - C14 H16 N2 O2 S -
Comments: Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of cis- and trans-diketopiperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B 73(6) (2017) 1179-1193
Space group: P 21 21 21
Cell volume: 1352.97
Cell parameters: 10.0987; 11.0883; 12.0825; 90; 90; 90;

COD ID: 2108203

Formula: - C14 H16 N2 O2 S -
Comments: Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of cis- and trans-diketopiperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B 73(6) (2017) 1179-1193
Space group: P 21 21 21
Cell volume: 1332
Cell parameters: 7.7112; 11.6576; 14.8171; 90; 90; 90;

COD ID: 2108204

Formula: - C14 H16 N2 O2 S -
Comments: Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald Solid-state structure of cyclic dipeptides: an X-ray and computational study of cis- and trans-diketopiperazines of N-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines Acta Crystallographica Section B 73(6) (2017) 1179-1193
Space group: P 21 21 21
Cell volume: 4045.1
Cell parameters: 13.4996; 14.5841; 20.5461; 90; 90; 90;

COD ID: 2108205
CIF file	Formula: - C4 H4 O4 - Comments: Hutchison, 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 73(6) (2017) 1151-1157 Space group: P b c a Cell volume: 441.72 Cell parameters: 5.1174; 7.3666; 11.7174; 90; 90; 90;

COD ID: 2108206
CIF file	Formula: - C4 H4 O4 - Comments: Hutchison, 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 73(6) (2017) 1151-1157 Space group: P b c a Cell volume: 407.28 Cell parameters: 4.9209; 7.1818; 11.5243; 90; 90; 90;

COD ID: 2108207
CIF file	Formula: - C4 H4 O4 - Comments: Hutchison, 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 73(6) (2017) 1151-1157 Space group: P b c a Cell volume: 394.91 Cell parameters: 4.8571; 7.1033; 11.4462; 90; 90; 90;

COD ID: 2108208
CIF file	Formula: - C4 H4 O4 - Comments: Hutchison, 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 73(6) (2017) 1151-1157 Space group: P b c a Cell volume: 378.66 Cell parameters: 4.7757; 6.993; 11.3384; 90; 90; 90;

COD ID: 2108209
CIF file	Formula: - C4 H4 O4 - Comments: Hutchison, 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 73(6) (2017) 1151-1157 Space group: P b c a Cell volume: 369.89 Cell parameters: 4.7321; 6.9298; 11.2798; 90; 90; 90;

COD ID: 2311276

Formula: - C21 H35 Cl N O2 P2 Re -
Comments: Glatz, Mathias; Stöger, Berthold; Kirchner, Karl Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNPCH2-iPr)(CO)2Cl]. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 941-949
Space group: P 1 21/c 1
Cell volume: 2473.7
Cell parameters: 9.6475; 10.7392; 25.629; 90; 68.684; 90;

COD ID: 2311277

Formula: - C21 H35 Cl N O2 P2 Re -
Comments: Glatz, Mathias; Stöger, Berthold; Kirchner, Karl Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNPCH2-iPr)(CO)2Cl]. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 941-949
Space group: I 1 2/a 1
Cell volume: 4914.1
Cell parameters: 18.6854; 10.7708; 25.599; 90; 107.48; 90;

COD ID: 2311696

Formula: - C38 H24 I2 N4 -
Comments: Wijethunga, 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 73(Pt 2) (2017) 163-167
Space group: P -1
Cell volume: 1601.35
Cell parameters: 9.7245; 10.1191; 17.5288; 87.839; 80.433; 70.331;

COD ID: 2311697

Formula: - C38 H24 I2 N8 -
Comments: Wijethunga, 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 73(Pt 2) (2017) 163-167
Space group: C 1 2/c 1
Cell volume: 3432.5
Cell parameters: 16.0411; 22.6435; 9.6728; 90; 102.322; 90;

COD ID: 2311698

Formula: - C38 H24 I2 N4 O2 -
Comments: Wijethunga, 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 73(Pt 2) (2017) 163-167
Space group: P -1
Cell volume: 1595.1
Cell parameters: 9.6027; 10.0523; 18.021; 85.6; 80.043; 68.603;

COD ID: 2311699

Formula: - C30 H20 I2 N2 -
Comments: Wijethunga, 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 73(Pt 2) (2017) 163-167
Space group: P -1
Cell volume: 1268.4
Cell parameters: 9.5153; 9.6261; 14.368; 96.346; 93.215; 103.295;

COD ID: 2311700

Formula: - C30 H18 I2 N2 -
Comments: Wijethunga, 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 73(Pt 2) (2017) 163-167
Space group: P 1 21/c 1
Cell volume: 2494.2
Cell parameters: 14.4231; 13.6011; 13.4798; 90; 109.397; 90;

COD ID: 2311701

Formula: - C20 H12 Cl2 S2 -
Comments: Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro Nature of E2X2 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 73(Pt 2) (2017) 265-275
Space group: P c a 21
Cell volume: 3231.5
Cell parameters: 7.824; 28.782; 14.35; 90; 90; 90;

COD ID: 2311702

Formula: - C20 H12 Cl2 Se2 -
Comments: Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro Nature of E2X2 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 73(Pt 2) (2017) 265-275
Space group: P c a 21
Cell volume: 3329.39
Cell parameters: 7.8933; 29.1713; 14.4594; 90; 90; 90;

COD ID: 2311703

Formula: - C20 H12 Br2 Se2 -
Comments: Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro Nature of E2X2 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 73(Pt 2) (2017) 265-275
Space group: P -1
Cell volume: 868.92
Cell parameters: 7.8394; 8.0986; 15.065; 90.941; 101.888; 111.093;

COD ID: 2311704

Formula: - Li Nb O3 -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 317.84
Cell parameters: 5.146; 5.146; 13.859; 90; 90; 120;

COD ID: 2311705

Formula: - Li Nb0.7 O3 Ta0.3 -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 317.3
Cell parameters: 5.145; 5.145; 13.841; 90; 90; 120;

COD ID: 2311706

Formula: - Li Nb0.47 O3 Ta0.53 -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 317.39
Cell parameters: 5.147; 5.147; 13.834; 90; 90; 120;

COD ID: 2311707

Formula: - Li Nb0.4 O3 Ta0.6 -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 316.56
Cell parameters: 5.147; 5.147; 13.798; 90; 90; 120;

COD ID: 2311708

Formula: - Li Nb0.36 O3 Ta0.64 -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 316.53
Cell parameters: 5.149; 5.149; 13.786; 90; 90; 120;

COD ID: 2311709

Formula: - Li Nb0.11 O3 Ta0.89 -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 316.55
Cell parameters: 5.151; 5.151; 13.776; 90; 90; 120;

COD ID: 2311710

Formula: - Li Nb0.08 O3 Ta0.92 -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 316.42
Cell parameters: 5.149; 5.149; 13.781; 90; 90; 120;

COD ID: 2311711

Formula: - Li O3 Ta -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 315.97
Cell parameters: 5.148; 5.148; 13.767; 90; 90; 120;

COD ID: 2311712

Formula: - C20 H19 F N8 O2 -
Comments: Zhou, 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 73(Pt 5) (2017) 891-898
Space group: P -1
Cell volume: 1010.76
Cell parameters: 8.0917; 10.8937; 11.7949; 88.338; 82.344; 78.787;

COD ID: 2311713

Formula: - C22 H22 F N9 O2 -
Comments: Zhou, 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 73(Pt 5) (2017) 891-898
Space group: P -1
Cell volume: 1176.99
Cell parameters: 8.4657; 11.4408; 13.1812; 112.419; 90.914; 93.446;

COD ID: 2311714

Formula: - C21.5 H22.5 F N8.5 O2.5 -
Comments: Zhou, 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 73(Pt 5) (2017) 891-898
Space group: P -1
Cell volume: 2242.9
Cell parameters: 10.6703; 13.422; 16.9095; 73.92; 74.788; 83.294;

COD ID: 2311715

Formula: - C20 H19 F N8 O2 -
Comments: Zhou, 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 73(Pt 5) (2017) 891-898
Space group: P -1
Cell volume: 2272.5
Cell parameters: 13.1749; 13.7062; 14.4719; 70.217; 72.912; 70.776;

COD ID: 2311716

Formula: - Cu3.313 Si -
Comments: Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš Crystal structures of η''-Cu3+xSi and η'''-Cu3+xSi. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 4) (2017) 767-774
Space group: P -3 1 c
Cell volume: 10059.6
Cell parameters: 16.2448; 16.2448; 44.017; 90; 90; 120;

COD ID: 2311717

Formula: - Cu3.311 Si -
Comments: Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš Crystal structures of η''-Cu3+xSi and η'''-Cu3+xSi. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 4) (2017) 767-774
Space group: P -3
Cell volume: 123871
Cell parameters: 56.98; 56.98; 44.055; 90; 90; 120;

COD ID: 2311718

Formula: - C4 H12 Cl4 Fe N -
Comments: Binns, 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 73(Pt 5) (2017) 844-855
Space group: P b m a
Cell volume: 1182.27
Cell parameters: 13.1442; 13.9946; 6.4272; 90; 90; 90;

COD ID: 2311719

Formula: - C4 H12 Cl4 Fe N -
Comments: Binns, 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 73(Pt 5) (2017) 844-855
Space group: P b m a
Cell volume: 1193.62
Cell parameters: 13.1361; 14.0158; 6.4831; 90; 90; 90;

COD ID: 2311720

Formula: - C4 H12 Cl4 Fe N -
Comments: Binns, 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 73(Pt 5) (2017) 844-855
Space group: P b m 2
Cell volume: 593.86
Cell parameters: 6.4471; 14.2753; 6.4526; 90; 90; 90;

COD ID: 2311721

Formula: - C4 H12 Cl4 Fe N -
Comments: Binns, 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 73(Pt 5) (2017) 844-855
Space group: P 1 m 1
Cell volume: 295.12
Cell parameters: 6.425; 7.148; 6.4274; 90; 91.21; 90;

COD ID: 2311722

Formula: - C4 H12 Cl4 Fe N -
Comments: Binns, 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 73(Pt 5) (2017) 844-855
Space group: P 1 21/m 1
Cell volume: 612.3
Cell parameters: 6.574; 14.156; 6.595; 90; 93.87; 90;

COD ID: 2311723

Formula: - C4 Cl4 Fe N -
Comments: Binns, 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 73(Pt 5) (2017) 844-855
Space group: P m -3 m
Cell volume: 321
Cell parameters: 6.847; 6.847; 6.847; 90; 90; 90;

COD ID: 2311724

Formula: - C4 H12 Cl4 Ga N -
Comments: Binns, 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 73(Pt 5) (2017) 844-855
Space group: P c m b
Cell volume: 1129.45
Cell parameters: 6.282; 14.0388; 12.8067; 90; 90; 90;

COD ID: 2311725

Formula: - C4 H12 Cl4 Ga N -
Comments: Binns, 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 73(Pt 5) (2017) 844-855
Space group: P b m a
Cell volume: 1145.89
Cell parameters: 12.8303; 14.0961; 6.3359; 90; 90; 90;

COD ID: 2311726

Formula: - C4 H12 Cl4 Ga N -
Comments: Binns, 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 73(Pt 5) (2017) 844-855
Space group: P b m a
Cell volume: 1154.97
Cell parameters: 12.8329; 14.1248; 6.3718; 90; 90; 90;

COD ID: 2311727

Formula: - C4 H12 Cl4 Ga N -
Comments: Binns, 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 73(Pt 5) (2017) 844-855
Space group: P b m a
Cell volume: 1168.62
Cell parameters: 12.8736; 14.1743; 6.4043; 90; 90; 90;

COD ID: 2311728

Formula: - C4 H12 Cl4 Ga N -
Comments: Binns, 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 73(Pt 5) (2017) 844-855
Space group: P 1 m 1
Cell volume: 297.91
Cell parameters: 6.4571; 7.1456; 6.4596; 90; 91.721; 90;

COD ID: 2311729

Formula: - C4 Cl4 Ga N -
Comments: Binns, 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 73(Pt 5) (2017) 844-855
Space group: P m -3 m
Cell volume: 321.48
Cell parameters: 6.8504; 6.8504; 6.8504; 90; 90; 90;

COD ID: 2311730

Formula: - Be2 Ca0.55 Ce0.2 Fe0.57 O10 Si2 Y1.25 -
Comments: Chukanov, 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)2(Fe,σquare )Be2Si2O8(OH,O)2 from Heftetjern pegmatite, Norway. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 899-906
Space group: P 1 21/c 1
Cell volume: 357.66
Cell parameters: 4.7514; 7.5719; 9.9414; 90; 90.015; 90;

COD ID: 2311731
CIF file Original IUCr paper	Formula: - C14 H11 F3 N2 - Comments: Dey, Dhananjay; Chopra, Deepak Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 781-793 Space group: P -1 Cell volume: 1231.8 Cell parameters: 9.6399; 10.3142; 13.4202; 99.961; 107.306; 97.321;

COD ID: 2311732
CIF file	Formula: - C15 H10 F6 N2 - Comments: Dey, Dhananjay; Chopra, Deepak Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 781-793 Space group: C 1 c 1 Cell volume: 1361.69 Cell parameters: 15.2831; 4.8177; 19.0386; 90; 103.74; 90;

COD ID: 2311733
CIF file	Formula: - C15 H10 F6 N2 - Comments: Dey, Dhananjay; Chopra, Deepak Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 781-793 Space group: P -1 Cell volume: 674.7 Cell parameters: 8.189; 8.376; 11.623; 72.723; 82.222; 62.417;

COD ID: 2311734
CIF file	Formula: - C14 H11 F3 N2 - Comments: Dey, Dhananjay; Chopra, Deepak Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 781-793 Space group: P n a 21 Cell volume: 1196.97 Cell parameters: 11.5823; 13.8757; 7.4479; 90; 90; 90;

COD ID: 2311735
CIF file	Formula: - C15 H10 F6 N2 - Comments: Dey, Dhananjay; Chopra, Deepak Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 781-793 Space group: P -1 Cell volume: 684.78 Cell parameters: 8.2523; 8.3039; 11.793; 82.823; 74.769; 61.428;

COD ID: 2311736
CIF file	Formula: - C15 H10 F6 N2 - Comments: Dey, Dhananjay; Chopra, Deepak Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 781-793 Space group: C 1 2/c 1 Cell volume: 1434.2 Cell parameters: 14.33; 13.658; 7.938; 90; 112.607; 90;

COD ID: 2311737
CIF file	Formula: - C15 H10 F6 N2 - Comments: Dey, Dhananjay; Chopra, Deepak Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 781-793 Space group: P n a 21 Cell volume: 2787.67 Cell parameters: 11.2082; 16.2891; 15.2689; 90; 90; 90;

COD ID: 2311738

Formula: - Fe H5 O7 S -
Comments: Plášil, Jakub; Petříček, Václav; Majzlan, Juraj A commensurately modulated structure of parabutlerite, FeIIISO4(OH)·2H2O. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 856-862
Space group: P n m a
Cell volume: 1074.5
Cell parameters: 20.0789; 7.4024; 7.2294; 90; 90; 90;

COD ID: 2311739

Formula: - Ba0.476 Nb2 O6 Sr0.524 -
Comments: Graetsch, Heribert A. Structural changes of relaxor ferroelectric Sr0.52Ba0.48Nb2O6 (SBN52) on quenching and reheating. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 820-826
Space group: P 4 b m (a,b,2*c)
Cell volume: 1228.41
Cell parameters: 12.4693; 12.4693; 7.9006; 90; 90; 90;

COD ID: 2311740

Formula: - Ba0.47 Nb2 O6 Sr0.53 -
Comments: Graetsch, Heribert A. Structural changes of relaxor ferroelectric Sr0.52Ba0.48Nb2O6 (SBN52) on quenching and reheating. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 820-826
Space group: P 4 b m (a,b,2*c)
Cell volume: 1227.56
Cell parameters: 12.4629; 12.4629; 7.9032; 90; 90; 90;

COD ID: 2311741

Formula: - H K2.91 N0.09 O8 S2 -
Comments: Choudhury, R. R.; Chitra, R.; Selezneva, E. V.; Makarova, I. P. Effect of cationic substitution on the double-well hydrogen-bond potential in [K1-x(NH4)x]3H(SO4)2 proton conductors: a single-crystal neutron diffraction study. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 863-867
Space group: C 1 2/c 1
Cell volume: 795.1
Cell parameters: 14.692; 5.681; 9.776; 90; 102.99; 90;

COD ID: 2311742

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 c :H
Cell volume: 725.51
Cell parameters: 5.0083; 5.0083; 33.3987; 90; 90; 120;

COD ID: 2311743

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 c :H
Cell volume: 725.43
Cell parameters: 5.0084; 5.0084; 33.3941; 90; 90; 120;

COD ID: 2311744

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 c :H
Cell volume: 728.92
Cell parameters: 5.0113; 5.0113; 33.5158; 90; 90; 120;

COD ID: 2311745

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 c :H
Cell volume: 728.75
Cell parameters: 5.0135; 5.0135; 33.4784; 90; 90; 120;

COD ID: 2311746

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 c :H
Cell volume: 729.87
Cell parameters: 5.0161; 5.0161; 33.4952; 90; 90; 120;

COD ID: 2311747

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 c :H
Cell volume: 730.32
Cell parameters: 5.016; 5.016; 33.517; 90; 90; 120;

COD ID: 2311748

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 c :H
Cell volume: 730.55
Cell parameters: 5.018; 5.018; 33.5012; 90; 90; 120;

COD ID: 2311749

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 c :H
Cell volume: 730.78
Cell parameters: 5.0183; 5.0183; 33.5074; 90; 90; 120;

COD ID: 2311750

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 c :H
Cell volume: 731.33
Cell parameters: 5.0187; 5.0187; 33.5273; 90; 90; 120;

COD ID: 2311751

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 c :H
Cell volume: 731.42
Cell parameters: 5.0198; 5.0198; 33.5169; 90; 90; 120;

COD ID: 2311752

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 c :H
Cell volume: 731.96
Cell parameters: 5.0206; 5.0206; 33.5307; 90; 90; 120;

COD ID: 2311753

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 m :H
Cell volume: 365.719
Cell parameters: 5.0209; 5.0209; 16.7515; 90; 90; 120;

COD ID: 2311754

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 m :H
Cell volume: 366.7
Cell parameters: 5.0214; 5.0214; 16.7931; 90; 90; 120;

COD ID: 2311755

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 m :H
Cell volume: 366.46
Cell parameters: 5.0206; 5.0206; 16.7875; 90; 90; 120;

COD ID: 2311756

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 m :H
Cell volume: 366.98
Cell parameters: 5.0217; 5.0217; 16.8037; 90; 90; 120;

COD ID: 2311757

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 m :H
Cell volume: 367.48
Cell parameters: 5.0224; 5.0224; 16.8222; 90; 90; 120;

COD ID: 2311758

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 m :H
Cell volume: 368.41
Cell parameters: 5.0228; 5.0228; 16.862; 90; 90; 120;

COD ID: 2311759

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 m :H
Cell volume: 367.07
Cell parameters: 5.0256; 5.0256; 16.782; 90; 90; 120;

COD ID: 2311760

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 m :H
Cell volume: 367.19
Cell parameters: 5.027; 5.027; 16.778; 90; 90; 120;

COD ID: 2311761

Formula: - C6 Ba3 Mg3 O18 -
Comments: Ende, Martin; Effenberger, Herta; Miletich, Ronald Evolution of the α-BaMg(CO3)2 low-temperature superstructure and the tricritical nature of its α-β phase transition. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 827-835
Space group: R -3 m :H
Cell volume: 367.71
Cell parameters: 5.0277; 5.0277; 16.7972; 90; 90; 120;

COD ID: 2311762

Formula: - C4 H10 B F4 N O -
Comments: Noohinejad, 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 73(Pt 5) (2017) 836-843
Space group: P n a m
Cell volume: 726.57
Cell parameters: 8.09423; 9.40452; 9.54481; 90; 90; 90;

COD ID: 2311763

Formula: - C4 H10 B F4 N O -
Comments: Noohinejad, 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 73(Pt 5) (2017) 836-843
Space group: P n a m
Cell volume: 733.11
Cell parameters: 8.131; 9.40719; 9.58445; 90; 90; 90;

COD ID: 2311764

Formula: - C20 H24 N4 O4 -
Comments: Chia, 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 73(Pt 5) (2017) 879-890
Space group: P 1 n 1
Cell volume: 1902
Cell parameters: 6.0925; 26.145; 12.1017; 90; 99.3633; 90;

COD ID: 2311765

Formula: - C20 H24 N4 O4 -
Comments: Chia, 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 73(Pt 5) (2017) 879-890
Space group: P 1 n 1
Cell volume: 1939.4
Cell parameters: 6.1262; 26.531; 12.0982; 90; 99.5055; 90;

COD ID: 2311766

Formula: - C20 H24 N4 O4 -
Comments: Chia, 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 73(Pt 5) (2017) 879-890
Space group: P 1 n 1
Cell volume: 1948.3
Cell parameters: 6.1343; 26.629; 12.0933; 90; 99.514; 90;

COD ID: 2311767

Formula: - C20 H24 N4 O4 -
Comments: Chia, 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 73(Pt 5) (2017) 879-890
Space group: P 1 n 1
Cell volume: 1953.9
Cell parameters: 6.1398; 26.721; 12.0772; 90; 99.554; 90;

COD ID: 2311768

Formula: - C20 H24 N4 O4 -
Comments: Chia, 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 73(Pt 5) (2017) 879-890
Space group: P 1 n 1
Cell volume: 1957.5
Cell parameters: 6.1457; 26.765; 12.0716; 90; 99.654; 90;

COD ID: 2311769

Formula: - C20 H24 N4 O4 -
Comments: Chia, 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 73(Pt 5) (2017) 879-890
Space group: F m m 2
Cell volume: 1959.5
Cell parameters: 10.1183; 27.015; 7.1684; 90; 90; 90;

COD ID: 2311770

Formula: - C20 H24 N4 O4 -
Comments: Chia, 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 73(Pt 5) (2017) 879-890
Space group: F m m 2
Cell volume: 1981.8
Cell parameters: 10.1464; 27.166; 7.1898; 90; 90; 90;

COD ID: 2311771

Formula: - C20 H24 N4 O4 -
Comments: Chia, 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 73(Pt 5) (2017) 879-890
Space group: F m m 2
Cell volume: 2000.3
Cell parameters: 10.1732; 27.291; 7.2049; 90; 90; 90;

COD ID: 2311772

Formula: - C22 H28 N4 O4 -
Comments: Chia, 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 73(Pt 5) (2017) 879-890
Space group: P 1 21/n 1
Cell volume: 2071.6
Cell parameters: 6.1425; 28.085; 12.1822; 90; 99.6957; 90;

COD ID: 2311773

Formula: - C22 H28 N4 O4 -
Comments: Chia, 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 73(Pt 5) (2017) 879-890
Space group: P 1 21/n 1
Cell volume: 2124.9
Cell parameters: 6.202; 28.482; 12.225; 90; 100.276; 90;

COD ID: 2311774

Formula: - C22 H28 N4 O4 -
Comments: Chia, 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 73(Pt 5) (2017) 879-890
Space group: C m c m
Cell volume: 2150.9
Cell parameters: 10.1948; 7.3566; 28.679; 90; 90; 90;

COD ID: 2311775

Formula: - C22 H28 N4 O4 -
Comments: Chia, 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 73(Pt 5) (2017) 879-890
Space group: C m c m
Cell volume: 2154.8
Cell parameters: 10.1958; 7.3592; 28.718; 90; 90; 90;

COD ID: 2311776

Formula: - Ba2 La2 O13 Si4 -
Comments: Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er3+-Lu3+) and Ba2RE2Si4O13 (RE = La3+-Ho3+). Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 907-915
Space group: P -1
Cell volume: 591.62
Cell parameters: 6.7327; 8.9894; 10.2191; 86.6588; 73.566; 86.5873;

COD ID: 2311777

Formula: - Ba2 Ce2 O13 Si4 -
Comments: Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er3+-Lu3+) and Ba2RE2Si4O13 (RE = La3+-Ho3+). Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 907-915
Space group: P -1
Cell volume: 584.45
Cell parameters: 6.7062; 8.9719; 10.1565; 86.6118; 73.5658; 86.4609;

COD ID: 2311778

Formula: - Ba2 O13 Pr2 Si4 -
Comments: Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er3+-Lu3+) and Ba2RE2Si4O13 (RE = La3+-Ho3+). Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 907-915
Space group: P -1
Cell volume: 580.07
Cell parameters: 6.688; 8.953; 10.1324; 86.5023; 73.5481; 86.2929;

COD ID: 2311779

Formula: - Ba2 O13 Si4 Sm2 -
Comments: Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er3+-Lu3+) and Ba2RE2Si4O13 (RE = La3+-Ho3+). Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 907-915
Space group: C 1 2/c 1
Cell volume: 1162.9
Cell parameters: 12.9961; 5.2355; 17.626; 90; 104.148; 90;

COD ID: 2311780

Formula: - Ba2 Eu2 O13 Si4 -
Comments: Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er3+-Lu3+) and Ba2RE2Si4O13 (RE = La3+-Ho3+). Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 907-915
Space group: C 1 2/c 1
Cell volume: 1155.8
Cell parameters: 12.9545; 5.2311; 17.595; 90; 104.23; 90;

COD ID: 2311781

Formula: - Ba2 O13 Si4 Tb2 -
Comments: Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er3+-Lu3+) and Ba2RE2Si4O13 (RE = La3+-Ho3+). Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 907-915
Space group: C 1 2/c 1
Cell volume: 1136.48
Cell parameters: 12.8568; 5.2019; 17.5243; 90; 104.147; 90;

COD ID: 2311782

Formula: - Ba2 Dy2 O13 Si4 -
Comments: Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er3+-Lu3+) and Ba2RE2Si4O13 (RE = La3+-Ho3+). Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 907-915
Space group: C 1 2/c 1
Cell volume: 1136.1
Cell parameters: 12.8478; 5.202; 17.525; 90; 104.077; 90;

COD ID: 2311783

Formula: - Ba2 Ho2 O13 Si4 -
Comments: Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er3+-Lu3+) and Ba2RE2Si4O13 (RE = La3+-Ho3+). Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 907-915
Space group: C 1 2/c 1
Cell volume: 1130.9
Cell parameters: 12.8127; 5.1934; 17.514; 90; 103.971; 90;

COD ID: 2311784

Formula: - Ba2 Er2 F2 O12 Si4 -
Comments: Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er3+-Lu3+) and Ba2RE2Si4O13 (RE = La3+-Ho3+). Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 907-915
Space group: P -1
Cell volume: 324.3
Cell parameters: 5.476; 7.166; 8.958; 108.138; 102.03; 92.742;

COD ID: 2311785

Formula: - Ba2 F2 O12 Si4 Tm2 -
Comments: Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er3+-Lu3+) and Ba2RE2Si4O13 (RE = La3+-Ho3+). Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 907-915
Space group: P -1
Cell volume: 321.5
Cell parameters: 5.4609; 7.1258; 8.9379; 107.809; 101.987; 92.866;

COD ID: 2311786

Formula: - Ba2 F2 O12 Si4 Yb2 -
Comments: Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er3+-Lu3+) and Ba2RE2Si4O13 (RE = La3+-Ho3+). Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 907-915
Space group: P -1
Cell volume: 319.66
Cell parameters: 5.4461; 7.1212; 8.9128; 107.798; 101.866; 92.9455;

COD ID: 2311787

Formula: - Ba2 F2 Lu2 O12 Si4 -
Comments: Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W. Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er3+-Lu3+) and Ba2RE2Si4O13 (RE = La3+-Ho3+). Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 907-915
Space group: P -1
Cell volume: 319.5
Cell parameters: 5.451; 7.1227; 8.8937; 107.73; 101.81; 93.01;

COD ID: 2311788

Formula: - F18 K36 O108 Sc18 Si36 -
Comments: Hejny, C.; Bindi, L. Low-temperature behaviour of K2Sc[Si2O6]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 73(Pt 5) (2017) 923-930
Space group: P 1 2/m 1
Cell volume: 5923.9
Cell parameters: 26.785; 8.2451; 26.824; 90; 90; 90;

COD ID: 2311789