Crystallography Open Database

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2020711 CIF
HKL		F7 H12 Hf N3F m -3 m9.3964; 9.3964; 9.3964
90; 90; 90		829.63Udovenko, Anatoly A.; Karabtsov, Alexander A.; Laptash, Natalia M.
Crystallographic features of ammonium fluoroelpasolites: dynamic orientational disorder in crystals of (NH~4~)~3~HfF~7~ and (NH~4~)~3~Ti(O~2~)F~5~
Acta Crystallographica Section B, 2017, 73, 1-9
2020712 CIF
HKL		F5 H12 N3 O2 TiF m -3 m9.2327; 9.2327; 9.2327
90; 90; 90		787.021Udovenko, Anatoly A.; Karabtsov, Alexander A.; Laptash, Natalia M.
Crystallographic features of ammonium fluoroelpasolites: dynamic orientational disorder in crystals of (NH~4~)~3~HfF~7~ and (NH~4~)~3~Ti(O~2~)F~5~
Acta Crystallographica Section B, 2017, 73, 1-9
2020744 CIF
HKL
Paper		C12 H9 F N2 OP 1 21/n 19.7681; 10.5358; 10.574
90; 114.134; 90		993.1Sirohiwal, Abhishek; Hathwar, Venkatesha R.; Dey, Dhananjay; Regunathan, Roshni; Chopra, Deepak
Characterization of fluorine-centred `F...O' σ-hole interactions in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73
2021884 CIF
Paper		H3.94 Li N0.984 O4 S Yb0.005P 1 21/c 117.856; 5.008; 10.264
90; 106.46; 90		880.2Sabalisck, N. P.; Guzmán-Afonso, C.; González-Silgo, C.; Torres, M. E.; Pasán, J.; del-Castillo, J.; Ramos-Hernández, D.; Hernández-Suárez, A.; Mestres, L.
Structures and thermal stability of the α-LiNH4SO4 polytypes doped with Er3+ and Yb3+
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 122
2021885 CIFH3.843 Li N0.961 O4 S Yb0.013P 1 21/c 110.177; 5.106; 34.234
90; 90.2; 90		1779Sabalisck, N. P.; Guzmán-Afonso, C.; González-Silgo, C.; Torres, M. E.; Pasán, J.; del-Castillo, J.; Ramos-Hernández, D.; Hernández-Suárez, A.; Mestres, L.
Structures and thermal stability of the α-LiNH4SO4 polytypes doped with Er3+ and Yb3+
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 122
2021886 CIFF5 H12 N3 O VF m -3 m9.0522; 9.0522; 9.0522
90; 90; 90		741.76Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.
Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1085
2021887 CIFF5 H12 N3 O VI m m m6.2986; 9.1638; 18.9044
90; 90; 90		1091.15Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.
Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1085
2021888 CIFF4 H12 N3 O2 VI 2 2 26.2738; 9.1388; 18.8424
90; 90; 90		1080.33Udovenko, Anatoly A.; Pogoreltsev, Evgeny I.; Marchenko, Yuri V.; Laptash, Natalia M.
Orientational disorder and phase transitions in ammonium oxofluorovanadates, (NH4)3VOF5 and (NH4)3VO2F4
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1085
2021889 CIF
Paper		B2 O5 Sr2P 1 21/c 17.763; 5.3386; 11.875
90; 92.64; 90		491.62Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav
Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
2021890 CIF
Paper		B2 O5 Sr2P 1 21/c 13.882; 5.3386; 11.875
90; 92.64; 90		245.84Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav
Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
2021891 CIF
Paper		B2 O5 Sr2P -19.4662; 13.2754; 11.8671
88.815; 91.651; 91.473		1489.9Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav
Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
2021892 CIF
Paper		B2 O5 Sr2P -13.9001; 5.3685; 11.8671
89.994; 92.008; 90.038		248.32Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav
Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
2021893 CIF
Paper		B2 O5 Sr2P 1 21/c 13.9125; 5.3699; 11.8732
90; 91.849; 90		249.323Volkov, Sergey; Dušek, Michal; Bubnova, Rimma; Krzhizhanovskaya, Maria; Ugolkov, Valery; Obozova, Ekaterina; Filatov, Stanislav
Orientational order-disorder γ ↔ β ↔ α′ ↔ α phase transitions in Sr2B2O5 pyroborate and crystal structures of β and α phases
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1056
2021894 CIFCd113.75 Mg31.37 Yb24I m -315.7531; 15.7531; 15.7531
90; 90; 90		3909.29Yamada, Tsunetomo; Takakura, Hiroyuki; de Boissieu, Marc; Tsai, An-Pang
Atomic structures of ternary Yb‒Cd‒Mg icosahedral quasicrystals and a 1/1 approximant
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1125
2021895 CIFO5 Rb2 Ti2C 1 2/m 111.3457; 3.8195; 6.9699
90; 100.359; 90		297.12Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte
The crystal structure of Rb2Ti2O5
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142
2021896 CIFO5 Rb2 Ti2C 1 2/m 111.337; 3.8244; 6.9946
90; 100.308; 90		298.37Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte
The crystal structure of Rb2Ti2O5
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142
2021897 CIFO5 Rb2 Ti2C 1 2/m 111.3419; 3.8198; 7.0103
90; 100.298; 90		298.82Federicci, Rémi; Baptiste, Benoit; Finocchi, Fabio; Popa, Florin; Brohan, Luc; Béneut, Keevin; Giura, Paola; Rousse, Gwenaëlle; Descamps-Mandine, Armel; Douillard, Thierry; Shukla, Abhay; Leridon, Brigitte
The crystal structure of Rb2Ti2O5
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1142
2021898 CIFC4 H11 F N5 O4 PC 1 2/c 120.6578; 8.922; 13.9144
90; 129.181; 90		1987.92Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021899 CIFC4 H11 F N5 O4 PC 1 2/c 120.6416; 8.9068; 13.9075
90; 129.118; 90		1983.77Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021900 CIFC4 H11 F N5 O4 PC 1 2/c 120.6339; 8.8975; 13.9054
90; 129.096; 90		1981.28Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021901 CIFC4 H11 F N5 O4 PC 1 2/c 120.6096; 8.8814; 13.8865
90; 129.047; 90		1974.05Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021902 CIFC4 H11 F N5 O4 PC 1 2/c 120.5877; 8.8673; 13.8912
90; 128.997; 90		1970.88Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021903 CIFC4 H11 F N5 O4 PC 1 2/c 120.5748; 8.853; 13.8869
90; 128.962; 90		1966.83Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021904 CIFC4 H11 F N5 O4 PC 1 2/c 120.5719; 8.8396; 13.9003
90; 128.924; 90		1966.53Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021905 CIFC4 H11 F N5 O4 PC 1 2/c 120.5473; 8.8249; 13.8851
90; 128.914; 90		1959.04Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1–x trioxofluorophosphate(2–)1–x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021906 CIFC4 H11 F N5 O4 PC 1 2/c 120.5418; 8.812; 13.8845
90; 128.89; 90		1956.23Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021907 CIFC4 H11 F N5 O4 PC 1 2/c 120.5237; 8.8033; 13.8813
90; 128.85; 90		1953.22Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021908 CIFC4 H11 F N5 O4 PC 1 2/c 120.5134; 8.7963; 13.8768
90; 128.806; 90		1951.27Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021909 CIFC4 H11 F N5 O4 PC 1 2/c 120.4891; 8.7848; 13.8632
90; 128.781; 90		1945.18Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021910 CIFC4 H11 F N5 O4 PC 1 2/c 120.5006; 8.7803; 13.8618
90; 128.797; 90		1944.64Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021911 CIFC4 H11 F N5 O4 PC 1 2/c 120.4756; 8.7798; 13.8428
90; 128.764; 90		1940.4Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021912 CIFC4 H11 F N5 O4 PC 1 2/c 120.463; 8.7767; 13.8368
90; 128.717; 90		1938.95Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2021913 CIFC4 H11 F N5 O4 PC 1 2/c 120.4273; 8.7714; 13.7988
90; 128.623; 90		1931.62Matulková, Irena; Fábry, Jan; Němec, Ivan; Císařová, Ivana; Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+) x hydrogen trioxofluorophosphate(−) x monohydrate/2,4,6-triaminopyrimidinium(2+)1‒x trioxofluorophosphate(2‒)1‒x monohydrate (0.0 < x < 0.73) with changing temperature
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1114
2108027 CIF
HKL
Paper		Fe2 O3C 1 2/c 19.61865; 5.03554; 13.75158
90; 162.404; 90		201.349Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R.
Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature
Acta Crystallographica Section B, 2017, 73, 27-32
2108028 CIF
HKL
Paper		Fe2 O3C 1 2/c 19.6892; 5.08737; 13.84868
90; 162.351; 90		206.967Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R.
Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature
Acta Crystallographica Section B, 2017, 73, 27-32
2108029 CIF
HKL
Paper		C4 H12 Cl N5P 1 21/c 17.9104; 13.8794; 7.931
90; 114.606; 90		791.69Niranjana Devi, Rajendran; Jelsch, Christian; Israel, Samuel; Aubert, Emmanuel; Anzline, Chellam; Hosamani, Amar A.
Charge density analysis of metformin chloride, a biguanide anti-hyperglycemic agent
Acta Crystallographica Section B, 2017, 73, 10-22
2108030 CIF
HKL
Paper		C22 H24 Br F3 I3 NP b c a15.7522; 22.3326; 15.5213
90; 90; 90		5460.2Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108031 CIF
HKL
Paper		C22 H24 Br F3 I3 NC 1 2/c 131.434; 14.8275; 26.724
90; 116.034; 90		11192Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108032 CIF
HKL
Paper		C47 H24 Br F6 I6 N2 PC 1 2/c 110.6026; 16.3599; 30.679
90; 97.626; 90		5274.4Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108033 CIF
HKL
Paper		C88 H40 Br2 F12 I12 P2P a -322.3941; 22.3941; 22.3941
90; 90; 90		11230.5Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108034 CIF
HKL
Paper		C49 H26 Br F6 I6 N2 O PC 1 2/c 110.5098; 16.2789; 30.9417
90; 95.6557; 90		5268Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108035 CIF
HKL
Paper		C52 H26 Br F6 I6 N2 PC 1 2/c 110.5544; 16.4031; 30.8221
90; 96.1095; 90		5305.8Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108036 CIF
HKL
Paper		C45 H27 Br F5 I3 N PP 1 21/n 110.7807; 28.8937; 14.89
90; 93.368; 90		4630.1Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108037 CIF
HKL
Paper		C31 H24 Br F2 PP 1 21/n 110.7103; 18.0967; 13.6486
90; 96.2767; 90		2629.53Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis
Acta Crystallographica Section B, 2017, 73
2108042 CIF
HKL		Al4.847 O9.577 Si1.153P b a m7.5817; 7.6752; 2.8843
90; 90; 90		167.84Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon
Ordered vacancy distribution in 2/1 mullite: a superspace model
Acta Crystallographica Section B, 2017, 73
2108043 CIFAl4.8 O9.6 Si1.2B b 21 m75.817; 7.6752; 5.7686
90; 90; 90		3356.8Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon
Ordered vacancy distribution in 2/1 mullite: a superspace model
Acta Crystallographica Section B, 2017, 73
2108049 CIF
HKL
Paper		C8 H11 N2 O7.5P 21 21 219.7808; 8.9659; 6.0713
90; 90; 90		1076.76Yadav, Harsh; Sinha, Nidhi; Goel, Sahil; Singh, Budhendra; Bdikin, Igor; Saini, Anupama; Gopalaiah, Kovuru; Kumar, Binay
Crystal structure of bis(L-asparaginium hydrogensquarate) monohydrate
Acta Crystallographica, Section B, 2017, 73, 347-359
2108050 CIF
HKL		C2 Ca K0.36 Na1.64 O6C m c m5.062; 8.79; 12.744
90; 90; 90		567.04Bolotina, Nadezhda B.; Gavryushkin, Pavel N.; Korsakov, Andrey V.; Rashchenko, Sergey V.; Seryotkin, Yurii V.; Golovin, Alexander V.; Moine, Bertrand N.; Zaitsev, Anatoly N.; Litasov, Konstantin D.
Incommensurately modulated twin structure of nyerereite Na~1.64~K~0.36~Ca(CO~3~)~2~
Acta Crystallographica Section B, 2017, 73, 276-284
2108051 CIF
Paper		C20 H23 N3 O10 S2P n m a14.563; 6.748; 23.299
90; 90; 90		2289.6Ikemoto, Kazuto; Mori, Shigeki; Mukai, Kazuo
Synthesis and crystal structure of pyrroloquinoline quinol (PQQH~2~) and pyrroloquinoline quinone (PQQ)
Acta Crystallographica Section B, 2017, 73, 489-497
2108052 CIF
HKL
Paper		C20 H24 N2 O11 S3P 21 21 216.901; 12.371; 28.674
90; 90; 90		2448Ikemoto, Kazuto; Mori, Shigeki; Mukai, Kazuo
Synthesis and crystal structure of pyrroloquinoline quinol (PQQH~2~) and pyrroloquinoline quinone (PQQ)
Acta Crystallographica Section B, 2017, 73, 489-497
2108053 CIF
HKL
Paper		C14 H13 F4 I O2 S2P -15.1915; 11.1729; 15.037
105.837; 90.773; 100.81		822.28Sanjeeva, Kavitha Buntara; Tirotta, Ilaria; Kumar, Vijith; Bombelli, Francesca Baldelli; Terraneo, Giancarlo; Metrangolo, Pierangelo
Crystallographic insights into the structural aspects of thioctic acid based halogen-bond donor for the functionalization of gold nanoparticles
Acta Crystallographica Section B, 2017, 73, 240-246
2108054 CIF
HKL		C40 H36 F8 I2 N2 O4 S4P -17.7856; 10.1191; 14.647
91.391; 101.045; 110.18		1057.9Sanjeeva, Kavitha Buntara; Tirotta, Ilaria; Kumar, Vijith; Bombelli, Francesca Baldelli; Terraneo, Giancarlo; Metrangolo, Pierangelo
Crystallographic insights into the structural aspects of thioctic acid based halogen-bond donor for the functionalization of gold nanoparticles
Acta Crystallographica Section B, 2017, 73, 240-246
2108055 CIF
HKL
Paper		C14 H14 N2 O4I 1 2/a 120.333; 5.1356; 24.966
90; 90.909; 90		2606.7Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108056 CIF
HKL		C14 H14 N2 O4I 1 2/a 120.332; 5.1318; 25.024
90; 90.917; 90		2610.7Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108057 CIF
HKL		C14 H14 N2 O4I 1 2/a 120.296; 5.1263; 25.005
90; 90.95; 90		2601.2Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108058 CIF
HKL		C14 H14 N2 O4I 1 2/a 120.088; 5.2242; 25.033
90; 92.308; 90		2624.9Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108059 CIF
HKL		C14 H14 N2 O4I 1 2/a 120.084; 5.2206; 25.04
90; 92.375; 90		2623.2Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108060 CIF
HKL		C14 H14 N2 O4I 1 2/a 120.126; 5.2212; 25.134
90; 92.401; 90		2638.8Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108061 CIF
HKL		C14 H14 N2 O4I 1 2/a 120.161; 5.218; 25.234
90; 92.559; 90		2652Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108062 CIF
HKL		C14 H14 N2 O4I 1 2/a 120.246; 5.2132; 25.372
90; 92.557; 90		2675.3Chia, Tze Shyang; Quah, Ching Kheng
Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal
Acta Crystallographica Section B, 2017, 73, 285-295
2108063 CIF
HKL
Paper		C8 H40 Cr6 N4 O36 U4P 1 21 18.8638; 11.1097; 11.5441
90; 107.878; 90		1081.9Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya
Formation of co-racemic uranyl chromate constructed from chiral layers of different topology
Acta Crystallographica Section B, 2017, 73, 101-111
2108064 CIF
HKL		Cr H2.67 K0.47 O6.67 Rb0.19 U0.67P 1 21/c 111.0898; 10.5667; 16.2713
90; 90.109; 90		1906.7Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya
Formation of co-racemic uranyl chromate constructed from chiral layers of different topology
Acta Crystallographica Section B, 2017, 73, 101-111
2108065 CIF
HKL		C2.13 Cr0.8 N0.53 O4.53 U0.53P 1 21/c 111.4334; 11.525; 18.79
90; 92.427; 90		2473.7Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya
Formation of co-racemic uranyl chromate constructed from chiral layers of different topology
Acta Crystallographica Section B, 2017, 73, 101-111
2108066 CIF
HKL		C8 H38 Cr6 N4 O35 U4P 21 21 2111.1281; 11.152; 32.85
90; 90; 90		4076.7Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya
Formation of co-racemic uranyl chromate constructed from chiral layers of different topology
Acta Crystallographica Section B, 2017, 73, 101-111
2108067 CIF
HKL
Paper		C38 H46 Br4 Co N2 O4P -18.9545; 10.1012; 11.5659
85.879; 89.31; 65.16		946.72Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108068 CIF
HKL		C38 H46 Br4 Co N2 O4P -18.9612; 10.1111; 11.5984
85.951; 89.29; 65.221		951.59Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108069 CIF
HKL		C38 H46 Br4 Co N2 O4P -18.9788; 10.1598; 11.6606
86.014; 89.423; 65.463		965.1Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108070 CIF
HKL		C38 H46 Br4 Co N2 O4P -19.0047; 10.2138; 11.6756
86.394; 89.775; 65.652		976.1Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108071 CIF
HKL		C38 H46 Br4 Co N2 O4P -18.9569; 10.7763; 11.7042
85.308; 87.784; 62.483		998.56Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108072 CIF
HKL		C38 H46 Br4 Co N2 O4P -19.008; 10.899; 11.769
85.328; 87.483; 62.462		1021.1Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108073 CIF
HKL		C38 H46 Br4 Co N2 O4P -320.1281; 20.1281; 8.9942
90; 90; 120		3155.72Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108074 CIF
HKL		C38 H46 Br4 Co N2 O4P -320.255; 20.255; 9.0132
90; 90; 120		3202.4Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108075 CIF
HKL		C38 H46 Br4 Co N2 O4P -320.3624; 20.3624; 9.0045
90; 90; 120		3233.3Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108076 CIF
HKL		C38 H46 Br4 Co N2 O4P -320.4697; 20.4697; 9.0166
90; 90; 120		3271.9Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108077 CIF
HKL		C38 H46 Br4 Co N2 O4P -320.688; 20.688; 9.0563
90; 90; 120		3356.7Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108078 CIF
HKL		C38 H46 Cl4 Co N2 O4P -320.0094; 20.0094; 8.8987
90; 90; 120		3085.5Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108079 CIF
HKL		C38 H46 Cl4 Co N2 O4P -320.166; 20.166; 8.9271
90; 90; 120		3144Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108080 CIF
HKL		C38 H46 Cl4 Co N2 O4P -320.243; 20.243; 8.933
90; 90; 120		3170Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108081 CIF
HKL		C38 H46 Cl4 Co N2 O4P -320.334; 20.334; 8.945
90; 90; 120		3203Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108082 CIF
HKL		C38 H46 Cl4 Co N2 O4P -320.643; 20.643; 9.015
90; 90; 120		3327Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108083 CIF
HKL		C38 H44 Br6 Co N2 O4P -18.8113; 10.7232; 11.522
91.925; 93.441; 93.722		1083.64Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108084 CIF
HKL		C38 H44 Br6 Co N2 O4P -18.807; 10.6922; 11.4658
91.692; 93.393; 93.903		1074.69Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108085 CIF
HKL		C38 H44 Br6 Co N2 O4P -18.8725; 10.798; 11.6965
92.641; 94.358; 93.791		1113.43Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108086 CIF
HKL		C38 H44 Cl6 Co N2 O4P -18.7762; 10.5578; 11.4878
91.565; 93.882; 93.95		1058.92Hathwar, Venkatesha R.; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.
Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes
Acta Crystallographica Section B, 2017, 73, 304-312
2108087 CIF
HKL
Paper		C66 H36 F16 I8 N6C 1 2/c 111.455; 27.777; 21.823
90; 95.607; 90		6911Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun
Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor
Acta Crystallographica Section B, 2017, 73, 247-254
2108088 CIF
HKL		C54 H32 F4 I2 N4P 1 21/c 17.367; 11.435; 25.882
90; 93.609; 90		2176Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun
Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor
Acta Crystallographica Section B, 2017, 73, 247-254
2108089 CIF
HKL		C30 H12 Cl4 F4 I2 N4P 1 21/c 110.5713; 21.091; 7.1214
90; 108.149; 90		1508.8Liu, Rui; Gao, Yuan Jun; Jin, Wei Jun
Color-tunable phosphorescence of 1,10-phenanthrolines by 4,7-methyl/-diphenyl/-dichloro substituents in cocrystals assembled <i>via</i> bifurcated C—I···N halogen bonds using 1,4-diiodotetrafluorobenzene as a bonding donor
Acta Crystallographica Section B, 2017, 73, 247-254
2108090 CIF
HKL
Paper		C27 H23 F6 I2 N3 O7 S2P b c n22.4519; 18.1915; 8.0879
90; 90; 90		3303.4Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.
Experimental investigation of halogen-bond hard‒soft acid‒base complementarity
Acta Crystallographica Section B, 2017, 73, 203-209
2108091 CIF
HKL		C25 H20 I2 N4 O S2P -19.1203; 11.3562; 13.9355
77.294; 71.958; 77.39		1321.1Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.
Experimental investigation of halogen-bond hard‒soft acid‒base complementarity
Acta Crystallographica Section B, 2017, 73, 203-209
2108092 CIF
HKL		C24.97 H17.94 Cl1.94 I2 N4 S2P -17.727; 10.9671; 16.978
103.375; 98.725; 94.093		1375.04Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.
Experimental investigation of halogen-bond hard‒soft acid‒base complementarity
Acta Crystallographica Section B, 2017, 73, 203-209
2108093 CIF
HKL		C22 H16 I8 N2P 1 21/n 17.3983; 10.437; 41.8567
90; 93.424; 90		3226.2Riel, Asia Marie S.; Jessop, Morly J.; Decato, Daniel A.; Massena, Casey J.; Nascimento, Vinicius R.; Berryman, Orion B.
Experimental investigation of halogen-bond hard‒soft acid‒base complementarity
Acta Crystallographica Section B, 2017, 73, 203-209
2108094 CIF
HKL
Paper		C5 H7 N3 O6 SP n a 2117.891; 4.586; 10.941
90; 90; 90		897.7Bednarchuk, Tamara J.; Kowalska, Dorota; Kinzhybalo, Vasyl; Wołcyrz, Marek
Temperature-induced reversible structural phase transition and X-ray diffuse scattering in 2-amino-3-nitropyridinium hydrogen sulfate
Acta Crystallographica Section B, 2017, 73, 337-346
2108095 CIF
HKL
Paper		C5 H7 N3 O6 SP 1 21 19.051; 10.968; 18.268
90; 104.35; 90		1756.9Bednarchuk, Tamara J.; Kowalska, Dorota; Kinzhybalo, Vasyl; Wołcyrz, Marek
Temperature-induced reversible structural phase transition and X-ray diffuse scattering in 2-amino-3-nitropyridinium hydrogen sulfate
Acta Crystallographica Section B, 2017, 73, 337-346
2108096 CIF
HKL
Paper		C14 H6 Br2 I2 O6 UP 1 21/n 19.589; 17.193; 12.241
90; 101.085; 90		1980.4Kalaj, Mark; Carter, Korey P.; Cahill, Christopher L.
Utilizing bifurcated halogen-bonding interactions with the uranyl oxo group in the assembly of a UO~2~‒3-bromo-5-iodobenzoic acid coordination polymer
Acta Crystallographica Section B, 2017, 73, 234-239
2108097 CIF
HKL
Paper		C14 H14 N2 Ni2 O11P -113.7266; 16.9157; 16.908
69.7619; 69.3377; 69.3655		3325.9Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M.
An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O
Acta Crystallographica Section B, 2017, 73, 413-418
2108098 CIF
HKL		C56 H44 N8 Ni4 O44C 1 c 127.5303; 19.6477; 13.7534
90; 115.261; 90		6727.9Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M.
An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O
Acta Crystallographica Section B, 2017, 73, 413-418
2108099 CIF
HKL		C14 H12 N2 Ni O11P 1 21/c 113.6716; 10.0554; 13.7813
90; 115.185; 90		1714.46Derikvand, Zohreh; Powers, Xian B.; Olmstead, Marilyn M.
An ordering phase transition, short hydrogen bonds and high <i>Z</i>' in the structure of Ni(Hpydc)~2~·3H~2~O
Acta Crystallographica Section B, 2017, 73, 413-418
2108100 CIF
HKL
Paper		C55 H42.47 Cu2.24 N6 O17.88 P4 V1.94P -113.6173; 14.3205; 15.4896
77.4902; 71.7418; 76.5041		2755.4Bulut, Aysun; Wörle, Michael; Zorlu, Yunus; Kirpi, Erdogan; Kurt, Huseyin; Zubieta, Jon; Grabowsky, Simon; Beckmann, Jens; Yücesan, Gündoğ
A potential Cu/V-organophosphonate platform for tailored void spaces <i>via</i> terpyridine mold casting
Acta Crystallographica Section B, 2017, 73, 296-303
2108101 CIF
Paper		C27 H32 O14 P4C 1 2/c 129.093; 7.2893; 18.672
90; 127.61; 90		3136.8Bulut, Aysun; Wörle, Michael; Zorlu, Yunus; Kirpi, Erdogan; Kurt, Huseyin; Zubieta, Jon; Grabowsky, Simon; Beckmann, Jens; Yücesan, Gündoğ
A potential Cu/V-organophosphonate platform for tailored void spaces <i>via</i> terpyridine mold casting
Acta Crystallographica Section B, 2017, 73, 296-303
2108102 CIF
HKL
Paper		C12 H46 I12 N6 O5 Sb2P 1 2/c 116.205; 8.7361; 16.4295
90; 92.216; 90		2324.16Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108103 CIF
HKL
Paper		C12 H46 I12 N6 O5 Sb2P 1 2/c 116.0632; 8.6414; 16.3102
90; 91.994; 90		2262.6Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108104 CIF
HKL
Paper		C4 H20 I8 N2 O4 Sb2P 1 21/c 17.4437; 13.0949; 13.7941
90; 95.161; 90		1339.12Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108105 CIF
HKL
Paper		C4 H20 I8 N2 O4 Sb2P 1 21/c 17.31459; 12.9482; 13.8097
90; 94.56; 90		1303.79Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108106 CIF
HKL
Paper		C4 H12 I4 N2P -16.5154; 7.4946; 8.1299
64.759; 68.019; 69.5		324.27Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108107 CIF
HKL
Paper		C4 H12 I4 N2P -16.4948; 7.4032; 8.0819
64.087; 67.276; 69.593		314.73Bujak, Maciej
Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Acta Crystallographica Section B, 2017, 73, 432-442
2108108 CIF
HKL
Paper		C30 H48 N6 O11P -18.363; 9.394; 21.648
78.362; 88.664; 83.547		1655.2Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108109 CIF
HKL		C30 H46 N6 O10P 1 21/n 19.0367; 10.6221; 18.022
90; 102.661; 90		1687.8Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108110 CIFC30 H48 N6 O11P -18.3488; 9.356; 21.546
78.286; 88.61; 83.572		1637.6Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108111 CIFC30 H46 N6 O10P 1 21/n 19.02833; 10.6182; 18.0158
90; 102.62; 90		1685.35Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108112 CIFC30 H48 N6 O11P -18.3412; 9.356; 21.5561
78.318; 88.636; 83.546		1636.96Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108113 CIFC30 H46 N6 O10P 1 21/n 19.0297; 10.6234; 18.0121
90; 102.595; 90		1686.25Tedesco, Consiglia; Macedi, Eleonora; Meli, Alessandra; Pierri, Giovanni; Della Sala, Giorgio; Drathen, Christina; Fitch, Andrew N.; Vaughan, Gavin B. M.; Izzo, Irene; De Riccardis, Francesco
Synthesis, crystallization, X-ray structural characterization and solid-state assembly of a cyclic hexapeptoid with propargyl and methoxyethyl side chains
Acta Crystallographica Section B, 2017, 73, 399-412
2108114 CIF
HKL
Paper		Cu0.966 Pb13.196 S24 Sb6.804P n m a24.0549; 4.1291; 11.3361
90; 90; 90		1126Bindi, Luca; Petříček, Václav; Biagioni, Cristian; Plášil, Jakub; Moëlo, Yves
Could incommensurability in sulfosalts be more common than thought? The case of meneghinite, CuPb~13~Sb~7~S~24~
Acta Crystallographica Section B, 2017, 73, 369-376
2108115 CIF
HKL
Paper		C24 H29 F4 I N2 OP -17.4374; 10.2935; 16.536
105.237; 101.641; 95.607		1181Saccone, Marco; Siiskonen, Antti; Fernandez-Palacio, Franisco; Priimagi, Arri; Terraneo, Giancarlo; Resnati, Giuseppe; Metrangolo, Pierangelo
Halogen bonding stabilizes a <i>cis</i>-azobenzene derivative in the solid state: a crystallographic study
Acta Crystallographica Section B, 2017, 73, 227-233
2108116 CIF
HKL		C24 H29 F4 I N2 OP 1 21/c 18.5802; 33.663; 8.752
90; 109.255; 90		2386.5Saccone, Marco; Siiskonen, Antti; Fernandez-Palacio, Franisco; Priimagi, Arri; Terraneo, Giancarlo; Resnati, Giuseppe; Metrangolo, Pierangelo
Halogen bonding stabilizes a <i>cis</i>-azobenzene derivative in the solid state: a crystallographic study
Acta Crystallographica Section B, 2017, 73, 227-233
2108117 CIF
HKL
Paper		C3 H14 N2 O4 S2P 21 21 218.4086; 9.787; 11.0477
90; 90; 90		909.17Brozdowska, Agnieszka; Chojnacki, Jarosław
Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
Acta Crystallographica Section B, 2017, 73, 507-518
2108118 CIF
HKL
Paper		C3 H14 N2 O4 S2P 21 21 218.3714; 9.7607; 10.9874
90; 90; 90		897.79Brozdowska, Agnieszka; Chojnacki, Jarosław
Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
Acta Crystallographica Section B, 2017, 73, 507-518
2108119 CIF
HKL
Paper		C3 H14 N2 O4 S2P 1 21/n 115.4097; 8.0868; 15.4133
90; 108.249; 90		1824.1Brozdowska, Agnieszka; Chojnacki, Jarosław
Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
Acta Crystallographica Section B, 2017, 73, 507-518
2108120 CIF
HKL
Paper		C4 H14 N2 O3 S2P -16.0538; 8.5273; 9.3869
73.623; 82.681; 84.207		460.05Brozdowska, Agnieszka; Chojnacki, Jarosław
Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
Acta Crystallographica Section B, 2017, 73, 507-518
2108121 CIF
HKL
Paper		C5 H16 N2 O3.5 S2P 43 21 211.7872; 11.7872; 16.2851
90; 90; 90		2262.6Brozdowska, Agnieszka; Chojnacki, Jarosław
Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
Acta Crystallographica Section B, 2017, 73, 507-518
2108122 CIF
HKL
Paper		C6 H18 N2 O3 S2P -110.4922; 11.1455; 11.7015
62.299; 74.938; 74.082		1150.9Brozdowska, Agnieszka; Chojnacki, Jarosław
Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
Acta Crystallographica Section B, 2017, 73, 507-518
2108123 CIF
HKL
Paper		C42 H18 F12 I6 N2 S2P -15.9807; 14.139; 14.2774
68.516; 81.348; 86.09		1110.53Wang, Hui; Jin, Wei Jun
Cocrystal assembled by 1,4-diiodotetrafluorobenzene and phenothiazine based on C—I···π/N/S halogen bond and other assisting interactions
Acta Crystallographica Section B, 2017, 73, 210-216
2108124 CIF
HKL
Paper		C10 H8 O8 ZnC 1 2/c 115.3546; 5.8885; 11.9905
90; 100.762; 90		1065.06Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin
Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid
Acta Crystallographica Section B, 2017, 73, 715-721
2108125 CIF
HKL		C26 H22 N2 O14 Zn2P b c a16.1578; 16.5129; 21.4877
90; 90; 90		5733.2Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin
Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid
Acta Crystallographica Section B, 2017, 73, 715-721
2108126 CIF
HKL		C18 H24 Cd N2 O9P 1 21/c 110.9131; 11.3385; 17.4385
90; 94.215; 90		2151.97Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin
Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid
Acta Crystallographica Section B, 2017, 73, 715-721
2108127 CIF
HKL		C10 H16 Co N0 O12P -15.5872; 6.6969; 10.5753
77.217; 74.884; 70.434		356.02Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin
Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid
Acta Crystallographica Section B, 2017, 73, 715-721
2108128 CIF
HKL
Paper		C12 H29 Br2 Ca O15C 1 2 116.1449; 7.8881; 11.4702
90; 128.842; 90		1137.75Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola
Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study
Acta Crystallographica Section B, 2017, 73, 737-743
2108129 CIF
HKL		C12 H29 Br2 O15 SrC 1 2 116.439; 8.024; 11.1931
90; 128.142; 90		1161.2Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola
Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study
Acta Crystallographica Section B, 2017, 73, 737-743
2108130 CIF
HKL
Paper		C7 H6 O2 SP 1 21/c 17.84809; 5.89857; 14.6898
90; 100.338; 90		668.99Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru
Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid
Acta Crystallographica Section B, 2017, 73, 626-633
2108131 CIF
HKL		C7 H6 O2 SP 1 21/n 14.7811; 5.7441; 25.353
90; 94.49; 90		694.1Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru
Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid
Acta Crystallographica Section B, 2017, 73, 626-633
2108132 CIF
HKL		C7 H6 O2 SP -13.863; 6.0337; 14.4721
91.302; 93.062; 92.925		336.29Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru
Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid
Acta Crystallographica Section B, 2017, 73, 626-633
2108133 CIF
HKL
Paper		C18 H12 N6 Ni S4P -17.446; 8.8942; 9.2799
114.992; 94.904; 108.68		509.94Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108134 CIF
HKL		C13 H6 N5 Ni S4P 1 21/c 116.1805; 6.3567; 17.0872
90; 116.837; 90		1568.2Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108135 CIF
HKL		C18 H12 Cu N6 S4P -17.5458; 9.0111; 9.2574
115.334; 95.223; 108.563		520.01Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108136 CIF
HKL		C13 H6 Cu N5 S4P 1 21/c 117.418; 6.1838; 18.165
90; 126.93; 90		1564Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108137 CIF
HKL		C18 H12 N6 Ni S4P -17.4307; 8.9072; 9.2445
115.167; 94.727; 108.525		507.94Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108138 CIF
HKL		C13 H6 N5 Ni S4P 1 21/c 116.0654; 6.3464; 17.0333
90; 116.606; 90		1552.77Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu
Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand
Acta Crystallographica Section B, 2017, 73, 634-642
2108139 CIF
HKL
Paper		C13 H15 Co N2 O7P 1 21/c 112.655; 7.6693; 15.934
90; 106.636; 90		1481.7Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B.
Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction
Acta Crystallographica Section B, 2017, 73, 669-674
2108140 CIF
HKL		C15 H17 Co N2 O6P 1 21/c 112.899; 7.638; 16.085
90; 108.337; 90		1504Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B.
Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction
Acta Crystallographica Section B, 2017, 73, 669-674
2108141 CIF
HKL		C15 H15 Co N2 O5P 1 21/c 112.631; 7.5996; 16.109
90; 109.223; 90		1460.1Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B.
Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction
Acta Crystallographica Section B, 2017, 73, 669-674
2108142 CIF
Paper		Al2 Mg3 O12 Si3I a -3 d11.4405; 11.4405; 11.4405
90; 90; 90		1497.39Destro, Riccardo; Ruffo, Riccardo; Roversi, Pietro; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo
Anharmonic motions <i>versus</i> dynamic disorder at the Mg ion from the charge densities in pyrope (Mg~3~Al~2~Si~3~O~12~) crystals at 30K: six of one, half a dozen of the other
Acta Crystallographica Section B, 2017, 73, 722-736
2108143 CIF
HKL
Paper		C28 H38 N4 O4 S2P 1 21/a 19.34; 19.482; 8.634
90; 115.13; 90		1422.35Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean-Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed
When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical
Acta Crystallographica Section B, 2017, 73, 544-549
2108144 CIFC16 H10 O2P 1 21/n 18.8423; 12.2033; 9.1817
90; 92.78; 90		989.59Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108145 CIFC16 H10 O2P 1 21/n 18.7168; 11.8642; 8.8601
90; 92.569; 90		915.37Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108146 CIFC16 H10 O2P 1 21/n 18.6563; 11.7038; 8.714
90; 92.652; 90		881.88Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108147 CIFC16 H10 O2P 1 21/n 18.5923; 11.5463; 8.584
90; 92.826; 90		850.58Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108148 CIFC16 H10 O2P 1 21/n 18.5652; 11.4704; 8.5109
90; 92.95; 90		835.06Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108149 CIFC16 H10 O2P 1 21/n 18.6187; 11.5861; 8.6105
90; 92.788; 90		858.8Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero
Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling
Acta Crystallographica Section B, 2017, 73, 584-597
2108150 CIF
Paper		C9 H12 K N2 O9 PP 21 21 218.063; 10.4358; 16.0092
90; 90; 90		1347.08Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B, 2017, 73, 550-564
2108151 CIFC9 H12 K N2 O9 PP 21 21 218.0754; 10.387; 16
90; 90; 90		1342.1Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B, 2017, 73, 550-564
2108152 CIFC9 H12 K N2 O9 PP 21 21 218.0778; 10.4023; 16.0137
90; 90; 90		1345.59Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B, 2017, 73, 550-564
2108153 CIFC9 H12 K N2 O9 PP 21 21 218.067; 10.4871; 16.0561
90; 90; 90		1358.34Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B, 2017, 73, 550-564
2108154 CIFC9 H12 K N2 O9 PP 21 21 218.0835; 10.5221; 16.0738
90; 90; 90		1367.16Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof
Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B, 2017, 73, 550-564
2108158 CIFH3 O4 PP 1 21/c 15.707; 4.82; 11.436
90; 94.75; 90		313.5Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108159 CIFH3 O4 PP 21 21 214.619; 8.479; 14.38
90; 90; 90		563.2Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108160 CIFD3 O4 PP 1 21/c 15.7493; 4.83921; 11.617
90; 95.15; 90		321.9Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108161 CIFD3 O4 PP 1 21/c 15.6927; 4.81609; 11.4468
90; 94.704; 90		312.77Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108162 CIFD3 O4 PP 1 21/c 15.6334; 4.78996; 11.3055
90; 94.255; 90		304.22Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108163 CIFD3 O4 PP 1 21/c 15.5686; 4.7647; 11.1762
90; 93.81; 90		295.88Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108164 CIFD3 O4 PP 1 21/c 15.5356; 4.7522; 11.1169
90; 93.561; 90		291.88Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108165 CIFD3 O4 PP 1 21/c 15.5049; 4.7401; 11.0668
90; 93.355; 90		288.28Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108166 CIFD3 O4 PP 1 21/c 15.4357; 4.7148; 10.9698
90; 92.874; 90		280.78Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108167 CIFD3 O4 PP 1 21/c 15.403; 4.7036; 10.9238
90; 92.633; 90		277.32Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108168 CIFD3 O4 PP 1 21/c 15.7466; 4.8378; 11.6028
90; 95.107; 90		321.29Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108169 CIFD3 O4 PP 21 21 214.6648; 8.6057; 14.5932
90; 90; 90		585.83Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108170 CIFD3 O4 PP 21 21 214.6494; 8.558; 14.5078
90; 90; 90		577.26Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108171 CIFD3 O4 PP 21 21 214.6332; 8.5169; 14.4323
90; 90; 90		569.51Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108172 CIFD3 O4 PP 21 21 214.6206; 8.481; 14.388
90; 90; 90		563.83Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108173 CIFD3 O4 PP 21 21 214.6022; 8.4597; 14.3291
90; 90; 90		557.88Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108174 CIFD3 O4 PP 21 21 214.598; 8.4429; 14.3036
90; 90; 90		555.27Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108175 CIFD3 O4 PP 21 21 214.5932; 8.4323; 14.2795
90; 90; 90		553.06Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108176 CIFD3 O4 PP 21 21 214.5868; 8.4232; 14.2653
90; 90; 90		551.15Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108177 CIFD3 O4 PP 21 21 214.5831; 8.411; 14.2424
90; 90; 90		549.02Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108178 CIFD3 O4 PP 21 21 214.5791; 8.4031; 14.2214
90; 90; 90		547.22Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108179 CIFD3 O4 PP 21 21 214.5689; 8.3733; 14.1755
90; 90; 90		542.31Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108180 CIFD3 O4 PP 21 21 214.5639; 8.3606; 14.1535
90; 90; 90		540.05Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108181 CIFD3 O4 PP 21 21 214.5599; 8.3496; 14.1332
90; 90; 90		538.1Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108182 CIFD3 O4 PP 21 21 214.5549; 8.3362; 14.1067
90; 90; 90		535.64Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108183 CIFD3 O4 PP 21 21 214.5456; 8.3104; 14.0631
90; 90; 90		531.24Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108184 CIFD3 O4 PP 21 21 214.5338; 8.2726; 13.9867
90; 90; 90		524.59Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108185 CIFD3 O4 PP 21 21 214.5214; 8.2332; 13.9189
90; 90; 90		518.14Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108186 CIFD3 O4 PP 21 21 214.5121; 8.2009; 13.8569
90; 90; 90		512.75Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.
A new high-pressure polymorph of phosphoric acid
Acta Crystallographica Section B, 2017, 73, 1068-1074
2108187 CIF
HKL		C10 H11 N O2C 1 2/c 111.0366; 13.2899; 6.3763
90; 99.548; 90		922.29Truong, Khai-Nghi; Merkens, Carina; Meven, Martin; Faßbänder, Björn; Dronskowski, Richard; Englert, Ulli
Phase transition and proton ordering at 50K in 3-(pyridin-4-yl)pentane-2,4-dione
Acta Crystallographica Section B, 2017, 73, 1172-1178
2108188 CIF
HKL		C10 H11 N O2P -16.2755; 8.6368; 8.657
101.482; 96.2307; 96.0785		453.17Truong, Khai-Nghi; Merkens, Carina; Meven, Martin; Faßbänder, Björn; Dronskowski, Richard; Englert, Ulli
Phase transition and proton ordering at 50K in 3-(pyridin-4-yl)pentane-2,4-dione
Acta Crystallographica Section B, 2017, 73, 1172-1178
2108189 CIF
HKL
Paper		C4 H14 Cl4 Ir K O3 S2P 1 21/c 112.1963; 7.4652; 16.4793
90; 96.055; 90		1492.03Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia
Conformational and structural diversity of iridium dimethyl sulfoxide complexes
Acta Crystallographica Section B, 2017, 73, 1032-1042
2108190 CIF
HKL		C4 H12.5 Cl4 Ir K O2.25 S2P 1 21/c 112.753; 7.8356; 15.3277
90; 111.581; 90		1424.29Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia
Conformational and structural diversity of iridium dimethyl sulfoxide complexes
Acta Crystallographica Section B, 2017, 73, 1032-1042
2108191 CIF
HKL		C8 H25 Cl4 Ir N O2.5 S2C 1 2/c 119.821; 10.083; 19.572
90; 108.657; 90		3706.01Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia
Conformational and structural diversity of iridium dimethyl sulfoxide complexes
Acta Crystallographica Section B, 2017, 73, 1032-1042
2108192 CIF
HKL		C4 H12 Cl4 Ir K O2 S2P 1 21/n 18.9902; 15.199; 10.7569
90; 91.425; 90		1469.4Ridgway, Benjamin M.; Foi, Ana; Corrêa, Rodrigo S.; Bikiel, Damian E.; Ellena, Javier; Doctorovich, Fabio; Di Salvo, Florencia
Conformational and structural diversity of iridium dimethyl sulfoxide complexes
Acta Crystallographica Section B, 2017, 73, 1032-1042
2108193 CIF
HKL
Paper		C6 H13 N O2C 1 2/c 131.231; 4.7296; 9.8739
90; 91.719; 90		1457.82Czech, Christian; Glinnemann, Jürgen; Johansson, Kristoffer E.; Bolte, Michael; Schmidt, Martin U.
On the stacking disorder of <small>DL</small>-norleucine
Acta Crystallographica Section B, 2017, 73, 1075-1084
2108194 CIF
HKL		H7.84 K1.29 N1.71 O8 S2R -3 :H5.7768; 5.7768; 22.0983
90; 90; 120		638.65Selezneva, Elena V.; Makarova, Irina P.; Malyshkina, Inna A.; Gavrilova, Nadezhda D.; Grebenev, Vadim V.; Novik, Vitalii K.; Komornikov, Vladimir A.
New superprotonic crystals with dynamically disordered hydrogen bonds: cation replacements as the alternative to temperature increase
Acta Crystallographica Section B, 2017, 73, 1105-1113
2108195 CIF
HKL		C15 H19 N2 O2.5 SP 318.4102; 8.4102; 36.562
90; 90; 120		2239.61Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108196 CIF
HKL		C15 H18 N2 O2 SP 21 21 216.2287; 8.9737; 25.9694
90; 90; 90		1451.55Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108197 CIF
HKL		C15 H18 N2 O2 SP 1 21 17.3126; 27.1077; 7.3745
90; 106.064; 90		1404.75Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108198 CIF
HKL		C15 H18 N2 O2 SP 1 21 19.8928; 9.0312; 16.447
90; 97.8246; 90		1455.76Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108199 CIF
HKL		C15 H18 N2 O2 SP 17.4536; 7.4603; 13.6011
79.6877; 89.2981; 69.3688		695.31Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108200 CIF
HKL		C15 H18 N2 O2 SP 21 21 219.8689; 10.6838; 13.6421
90; 90; 90		1438.39Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108201 CIF
HKL		C14 H16 N2 O2 SP 43 21 27.743; 7.743; 43.5343
90; 90; 90		2610.06Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108202 CIF
HKL		C14 H16 N2 O2 SP 21 21 2110.0987; 11.0883; 12.0825
90; 90; 90		1352.97Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108203 CIF
HKL		C14 H16 N2 O2 SP 21 21 217.7112; 11.6576; 14.8171
90; 90; 90		1332Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108204 CIF
HKL		C14 H16 N2 O2 SP 21 21 2113.4996; 14.5841; 20.5461
90; 90; 90		4045.1Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108205 CIFC4 H4 O4P b c a5.1174; 7.3666; 11.7174
90; 90; 90		441.72Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.
Compression of glycolide-h~4~ to 6GPa
Acta Crystallographica Section B, 2017, 73, 1151-1157

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