Crystallography Open Database
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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2108940 | CIF HKL | C18 H15 F N O3 P | P -1 | 10.1285; 9.148; 17.8798 86.225; 90.171; 91.354 | 1652.6 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108941 | CIF HKL | C18 H15 I N O3 P | C 1 2/c 1 | 25.2005; 7.3428; 19.8275 90; 103.083; 90 | 3573.69 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108942 | CIF HKL | C18 H14 F2 N O3 P | P 1 21/c 1 | 10.1665; 9.3374; 17.5495 90; 94.912; 90 | 1659.83 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108943 | CIF HKL | C18 H14 F2 N O3 P | P -1 | 9.2189; 10.0245; 10.0445 68.276; 84.831; 69.889 | 809.02 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108944 | CIF HKL Paper | C20 H10 F2 N2 O2 | P 1 21/c 1 | 14.2169; 3.76791; 13.7214 90; 102.298; 90 | 718.16 | Habermehl, Stefan; Schlesinger, Carina; Schmidt, Martin U. Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions Acta Crystallographica Section B, 2022, 78 |
| 2108945 | CIF HKL Paper | C20 H10 Cl2 N2 O2 | P -1 | 3.7718; 6.4792; 15.774 93.744; 92.189; 100.918 | 377.2 | Habermehl, Stefan; Schlesinger, Carina; Schmidt, Martin U. Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions Acta Crystallographica Section B, 2022, 78 |
| 2108946 | CIF HKL Paper | C15 H12 | P 1 21/c 1 | 8.7976; 14.331; 7.986 90; 96.276; 90 | 1000.8 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
| 2108947 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.7885; 14.26; 8.0361 90; 96.465; 90 | 1000.7 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
| 2108948 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.672; 14.14; 8.197 90; 97.39; 90 | 997 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
| 2108949 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.485; 13.72; 8.568 90; 99.15; 90 | 985 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
| 2108950 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.444; 13.728; 8.5839 90; 99.365; 90 | 981.8 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
| 2108951 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.782; 14.117; 7.9575 90; 96.241; 90 | 980.7 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
| 2108952 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.785; 14.1121; 7.9525 90; 96.26; 90 | 980 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
| 2108953 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.7518; 14.129; 7.9658 90; 96.24; 90 | 979.17 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
| 2108954 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.7; 14.11; 7.995 90; 96.57; 90 | 975 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
| 2108955 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.48; 13.582; 8.538 90; 99.2; 90 | 971 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
| 2108956 | CIF HKL | C32 H36 N2 O24 | P -1 | 7.7242; 9.0042; 13.3769 92.44; 96.223; 112.469 | 851.09 | Pal, Rumpa; Jelsch, Christian; Momma, Koichi; Grabowsky, Simon π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis Acta Crystallographica Section B, 2022, 78 |
| 2108957 | CIF Paper | C36 H39 N3 | R -3 :H | 52.879; 52.879; 5.36308 90; 90; 120 | 12987.1 | Vilche, Anna; Bujaldón, Roger; Alcobé, Xavier; Velasco, Dolores; Puigjaner, Cristina Powder X-ray diffraction as a powerful tool to exploit in organic electronics: shedding light on the first <i>N</i>,<i>N</i>',<i>N</i>''-trialkyldiindolocarbazole Acta Crystallographica Section B, 2022, 78, 253-260 |
| 2108958 | CIF HKL | C24 H14 N4 O2 S | P 1 21/n 1 | 20.6752; 3.7474; 25.1061 90; 111.624; 90 | 1808.28 | Postnikov, Valery A.; Sorokina, Natalia I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Sorokin, Timofei A.; Freidzon, Alexandra Ya.; Stepko, Anastasia S.; Borshchev, Oleg V.; Skorotetsky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergey A. A new linear phenyloxazole–benzothiadiazole luminophore: crystal growth, structure and fluorescence properties Acta Crystallographica Section B, 2022, 78, 261-269 |
| 2108959 | CIF HKL | C24 H14 N4 O2 S | P 1 21/n 1 | 20.7891; 3.8267; 25.145 90; 111.747; 90 | 1858 | Postnikov, Valery A.; Sorokina, Natalia I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Sorokin, Timofei A.; Freidzon, Alexandra Ya.; Stepko, Anastasia S.; Borshchev, Oleg V.; Skorotetsky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergey A. A new linear phenyloxazole–benzothiadiazole luminophore: crystal growth, structure and fluorescence properties Acta Crystallographica Section B, 2022, 78, 261-269 |
| 2108960 | CIF | Al5 Dy0.75 Gd0.75 Ho0.75 O12 Tb0.75 | I a -3 d | 12.08917; 12.08917; 12.08917 90; 90; 90 | 1766.81 | Pianassola, Matheus; Alexander, Marlena; Chakoumakos, Bryan; Koschan, Merry; Melcher, Charles; Zhuravleva, Mariya Effects of composition and growth parameters on phase formation in multicomponent aluminum garnet crystals Acta Crystallographica Section B, 2022, 78 |
| 2108961 | CIF | Al5 Dy0.75 Gd0.75 Lu0.75 O12 Tb0.75 | I a -3 d | 12.0516; 12.0516; 12.0516 90; 90; 90 | 1750.39 | Pianassola, Matheus; Alexander, Marlena; Chakoumakos, Bryan; Koschan, Merry; Melcher, Charles; Zhuravleva, Mariya Effects of composition and growth parameters on phase formation in multicomponent aluminum garnet crystals Acta Crystallographica Section B, 2022, 78 |
| 2108962 | CIF | Al5 Dy0.75 Gd0.75 Lu0.75 O12 Tb0.75 | I a -3 d | 12.0703; 12.0703; 12.0703 90; 90; 90 | 1758.55 | Pianassola, Matheus; Alexander, Marlena; Chakoumakos, Bryan; Koschan, Merry; Melcher, Charles; Zhuravleva, Mariya Effects of composition and growth parameters on phase formation in multicomponent aluminum garnet crystals Acta Crystallographica Section B, 2022, 78 |
| 2108963 | CIF HKL | C33 H52 O4 | P 21 21 21 | 11.8862; 13.1419; 18.8884 90; 90; 90 | 2950.51 | Langer, Dominik; Wicher, Barbara; Tykarska, Ewa Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester Acta Crystallographica Section B, 2022, 78 |
| 2108964 | CIF | C33 H52 O4 | P 21 21 21 | 13.1807; 13.2466; 17.2198 90; 90; 90 | 3006.57 | Langer, Dominik; Wicher, Barbara; Tykarska, Ewa Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester Acta Crystallographica Section B, 2022, 78 |
| 2108965 | CIF HKL | C32 H50 O4 | P 21 21 21 | 13.02432; 12.99238; 16.69407 90; 90; 90 | 2824.92 | Langer, Dominik; Wicher, Barbara; Tykarska, Ewa Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester Acta Crystallographica Section B, 2022, 78 |
| 2108966 | CIF HKL | C36 H57 N O5 | P 21 21 21 | 12.9136; 13.7752; 18.7441 90; 90; 90 | 3334.34 | Langer, Dominik; Wicher, Barbara; Tykarska, Ewa Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester Acta Crystallographica Section B, 2022, 78 |
| 2108967 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9129; 6.4872; 11.2465 90; 90.4816; 90 | 504.336 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
| 2108968 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9146; 6.4963; 11.252 90; 90.49; 90 | 505.414 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
| 2108969 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9165; 6.5072; 11.2575 90; 90.4987; 90 | 506.648 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
| 2108970 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9184; 6.5187; 11.2646 90; 90.5108; 90 | 508.002 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
| 2108971 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9209; 6.5336; 11.2726 90; 90.5215; 90 | 509.708 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
| 2108972 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9254; 6.5582; 11.2866 90; 90.5441; 90 | 512.593 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
| 2108973 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9303; 6.5873; 11.3017 90; 90.5672; 90 | 515.92 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
| 2108974 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.935; 6.619; 11.3172 90; 90.5886; 90 | 519.463 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
| 2108975 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9413; 6.6532; 11.3353 90; 90.608; 90 | 523.46 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
| 2108976 | CIF Paper | C2 H4 N4 O4 | P 1 21/n 1 | 6.9484; 6.6942; 11.3547 90; 90.618; 90 | 528.12 | Aree, Thammarat; McMonagle, Charles J.; Michalchuk, Adam A. L.; Chernyshov, Dmitry Low-frequency lattice vibrations from atomic displacement parameters of α-FOX-7, a high energy density material Acta Crystallographica Section B, 2022, 78 |
| 2108977 | CIF HKL | C8.25 H25.5 Br1.5 Fe0.75 N4.5 O0.75 | R -3 m :H | 7.3806; 7.3806; 31.5783 90; 90; 120 | 1489.71 | Chernyshov, Dmitry; Dyadkin, Vadim; Törnroos, Karl Wilhelm Preliminary observations of the interplay of radiation damage with spin crossover Acta Crystallographica Section B, 2022, 78 |
| 2108978 | CIF HKL | C8.25 H25.5 Br1.5 Fe0.75 N4.5 O0.75 | R -3 m :H | 7.3869; 7.3869; 31.2243 90; 90; 120 | 1475.53 | Chernyshov, Dmitry; Dyadkin, Vadim; Törnroos, Karl Wilhelm Preliminary observations of the interplay of radiation damage with spin crossover Acta Crystallographica Section B, 2022, 78 |
| 2108979 | CIF HKL | C8.25 H25.5 Br1.5 Fe0.75 N4.5 O0.75 | R -3 m :H | 7.4091; 7.4091; 31.216 90; 90; 120 | 1484.02 | Chernyshov, Dmitry; Dyadkin, Vadim; Törnroos, Karl Wilhelm Preliminary observations of the interplay of radiation damage with spin crossover Acta Crystallographica Section B, 2022, 78 |
| 2108980 | CIF HKL | C42 H54 F12 I2 P2 | P -1 | 10.321; 15.231; 15.663 82.73; 80.201; 71.847 | 2298.4 | Zheng, Dan Ni; Szell, Patrick M. J.; Khiri, Safaa; Ovens, Jeffrey S.; Bryce, David L. Solid-state multinuclear magnetic resonance and X-ray crystallographic investigation of the phosphorus···iodine halogen bond in a bis(dicyclohexylphenylphosphine)(1,6-diiodoperfluorohexane) cocrystal Acta Crystallographica Section B, 2022, 78 |
| 2108981 | CIF HKL Paper | C6 H24 Co2 N6 O15 | P -3 | 12.3686; 12.3686; 21.1962 90; 90; 120 | 2808.21 | Filatov, Evgeny; Lagunova, Varvara; Kochetygov, Ilia; Plyusnin, Pavel; Kuratieva, Natalia; Kostin, Gennadiy; Korenev, Sergey Synthesis and investigation of the thermal properties of [Co(NH~3~)~6~][Co(C~2~O~4~)~3~]·3H~2~O and [Ir(NH~3~)~6~][Ir(C~2~O~4~)~3~] Acta Crystallographica Section B, 2022, 78 |
| 2108982 | CIF HKL Paper | C6 H18 Ir2 N6 O12 | P -1 | 7.56; 9.7304; 11.9386 84.368; 87.579; 70.534 | 823.99 | Filatov, Evgeny; Lagunova, Varvara; Kochetygov, Ilia; Plyusnin, Pavel; Kuratieva, Natalia; Kostin, Gennadiy; Korenev, Sergey Synthesis and investigation of the thermal properties of [Co(NH~3~)~6~][Co(C~2~O~4~)~3~]·3H~2~O and [Ir(NH~3~)~6~][Ir(C~2~O~4~)~3~] Acta Crystallographica Section B, 2022, 78 |
| 2108983 | CIF HKL Paper | C12 H30 Co Ir2 K3 N6 O30 | R -3 :H | 10.2003; 10.2003; 29.408 90; 90; 120 | 2649.9 | Filatov, Evgeny; Lagunova, Varvara; Kochetygov, Ilia; Plyusnin, Pavel; Kuratieva, Natalia; Kostin, Gennadiy; Korenev, Sergey Synthesis and investigation of the thermal properties of [Co(NH~3~)~6~][Co(C~2~O~4~)~3~]·3H~2~O and [Ir(NH~3~)~6~][Ir(C~2~O~4~)~3~] Acta Crystallographica Section B, 2022, 78 |
| 2108984 | CIF HKL Paper | C68 H67 N4 O18 Zn2 | C 1 2 1 | 12.05; 8.11; 31.47 90; 92.48; 90 | 3073 | Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes Acta Crystallographica Section B, 2022, 78 |
| 2108985 | CIF HKL | C22 H32 Cu N2 O12 | P 1 21 1 | 13.9887; 6.891; 14.3405 90; 109.51; 90 | 1303 | Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes Acta Crystallographica Section B, 2022, 78 |
| 2108986 | CIF HKL | C22 H24 Cu N2 O8 | P 1 21/c 1 | 11.279; 5.5252; 17.45 90; 96.84; 90 | 1079.7 | Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes Acta Crystallographica Section B, 2022, 78 |
| 2108987 | CIF HKL | C34 H34 Cu N2 O9 | P 1 | 7.245; 7.251; 16.014 91.685; 97.664; 112.798 | 765.6 | Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes Acta Crystallographica Section B, 2022, 78 |
| 2108988 | CIF | C22 H32 Cu N4 O9 | P 1 21 1 | 13.9687; 6.8845; 14.3443 90; 109.401; 90 | 1301.13 | Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes Acta Crystallographica Section B, 2022, 78 |
| 2108989 | CIF HKL Paper | B4 Bi0.07 Fe3 O12 Sm0.93 | R 3 2 :H | 9.5638; 9.5638; 7.579 90; 90; 120 | 600.349 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B, 2022, 78 |
| 2108990 | CIF HKL Paper | B4 Bi0.07 Fe3 O12 Sm0.93 | R 3 2 :H | 9.5635; 9.5635; 7.5823 90; 90; 120 | 600.572 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B, 2022, 78 |
| 2108991 | CIF HKL Paper | B4 Bi0.07 Fe3 O12 Sm0.93 | R 3 2 :H | 9.5642; 9.5642; 7.5883 90; 90; 120 | 601.136 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B, 2022, 78 |
| 2108992 | CIF HKL Paper | B4 Bi0.07 Fe3 O12 Sm0.93 | R 3 2 :H | 9.565; 9.565; 7.5972 90; 90; 120 | 601.941 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B, 2022, 78 |
| 2108993 | CIF HKL Paper | B4 Fe3 O12 Sm | R 3 2 :H | 9.5665; 9.5665; 7.5911 90; 90; 120 | 601.647 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B, 2022, 78 |
| 2108994 | CIF HKL | C32 H50 Cu F2 N6 O17 S | P 1 21/c 1 | 10.4613; 31.2244; 12.2241 90; 104.45; 90 | 3866.66 | Tobón Zapata, Gloria Elena; Martínez Carmona, Dina Marcela; Echeverría, Gustavo Alberto; Piro, Oscar Enrique Molecular structures of two copper complexes with the pharmaceuticals norfloxacin and tinidazole, when powder X-ray diffraction assists multi-domain single-crystal X-ray diffraction Acta Crystallographica Section B, 2022, 78 |
| 2108995 | CIF HKL | C16 H26 Cu N8 O14 S2 | P 1 21/c 1 | 7.3063; 10.8907; 16.4396 90; 90.67; 90 | 1308.02 | Tobón Zapata, Gloria Elena; Martínez Carmona, Dina Marcela; Echeverría, Gustavo Alberto; Piro, Oscar Enrique Molecular structures of two copper complexes with the pharmaceuticals norfloxacin and tinidazole, when powder X-ray diffraction assists multi-domain single-crystal X-ray diffraction Acta Crystallographica Section B, 2022, 78 |
| 2108996 | CIF Paper | C12 H16 N2 O5 | C 1 2/c 1 | 16.0117; 9.6657; 17.4382 90; 101.948; 90 | 2640.3 | Konovalova, Irina S.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Chalyk, Bohdan A.; Shishkina, Svitlana V. Polymorphic transition due to grinding: the case of 3-[1-(<i>tert</i>-butoxycarbonyl)azetidin-3-yl]-1,2-oxazole-4-carboxylic acid Acta Crystallographica Section B, 2022, 78 |
| 2108997 | CIF HKL | C12 H16 N2 O5 | P 1 21/c 1 | 14.3254; 8.7613; 11.4085 90; 112.48; 90 | 1323.07 | Konovalova, Irina S.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Chalyk, Bohdan A.; Shishkina, Svitlana V. Polymorphic transition due to grinding: the case of 3-[1-(<i>tert</i>-butoxycarbonyl)azetidin-3-yl]-1,2-oxazole-4-carboxylic acid Acta Crystallographica Section B, 2022, 78 |
| 2108998 | CIF | C2 H6 O6 | P 1 21/c 1 | 6.0931; 3.4921; 11.8409 90; 103.842; 90 | 244.63 | Davidson, Max L.; Grabowsky, Simon; Jayatilaka, Dylan X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate Acta Crystallographica Section B, 2022, 78, 397-415 |
| 2108999 | CIF Paper | C5 H5 N3 O | P 1 21/n 1 | 3.5885; 6.7605; 22.434 90; 92.748; 90 | 543.6 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109000 | CIF | C5 H5 N3 O | P 1 21/n 1 | 3.633; 6.753; 22.546 90; 92.39; 90 | 552.7 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109001 | CIF | C5 H5 N3 O | P 1 21/c 1 | 14.3433; 3.6086; 10.6023 90; 100.982; 90 | 538.72 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109002 | CIF | C5 H5 N3 O | P 1 21/c 1 | 14.328; 3.633; 10.628 90; 101.169; 90 | 542.7 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109003 | CIF | C5 H5 N3 O | P 1 c 1 | 7.1818; 3.6295; 10.6533 90; 106.377; 90 | 266.43 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109004 | CIF | C5 H5 N3 O | P 1 c 1 | 7.173; 3.65; 10.686 90; 106.487; 90 | 268.27 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109005 | CIF | C5 H5 N3 O | P -1 | 5.1026; 5.7083; 9.8487 97.526; 98.499; 106.564 | 267.37 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109006 | CIF | C5 H5 N3 O | P -1 | 5.128; 5.708; 9.857 97.45; 98.04; 106.55 | 269.45 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109007 | CIF HKL | H2 O8 V3 | P n a m | 16.8658; 9.3282; 3.63523 90; 90; 90 | 571.92 | Schoiber, Jürgen; Söllinger, Daniela; Baran, Volodymyr; Diemant, Thomas; Redhammer, Günther J.; Behm, R. Jurgen; Pokrant, Simone Resolving the structure of V~3~O~7~·H~2~O and Mo-substituted V~3~O~7~·H~2~O Acta Crystallographica Section B, 2022, 78 |
| 2109008 | CIF HKL | H2 Mo0.15 O8 V2.85 | P n a m | 16.879; 9.3325; 3.64357 90; 90; 90 | 573.95 | Schoiber, Jürgen; Söllinger, Daniela; Baran, Volodymyr; Diemant, Thomas; Redhammer, Günther J.; Behm, R. Jurgen; Pokrant, Simone Resolving the structure of V~3~O~7~·H~2~O and Mo-substituted V~3~O~7~·H~2~O Acta Crystallographica Section B, 2022, 78 |
| 2109009 | CIF HKL Paper | C31 H50 O3 | P 1 | 7.1158; 13.118; 14.9298 91.25; 91.505; 99.452 | 1373.75 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109010 | CIF HKL | C32 H52 O3 | P 1 | 7.1484; 13.3087; 15.0523 92.456; 94.221; 98.518 | 1410.28 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109011 | CIF HKL | C32 H50.57 O4 | P 1 | 7.1965; 13.3283; 15.0866 92.599; 94.416; 98.623 | 1424.08 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109012 | CIF HKL | C33 H54 O3 | P 1 | 7.1971; 13.5381; 15.4611 94.146; 96.768; 96.674 | 1480.16 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109013 | CIF HKL | C37 H54 O3 | P 1 21 1 | 6.8066; 12.8648; 17.883 90; 94.885; 90 | 1560.25 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109014 | CIF HKL | C37 H52 O4 | P 1 21 1 | 6.7857; 13; 17.8671 90; 94.87; 90 | 1570.44 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109015 | CIF HKL | C34 H56 O3 | P 1 21 1 | 6.8841; 12.2006; 17.7696 90; 89.794; 90 | 1492.46 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109016 | CIF HKL | C34 H54 O4 | P 21 21 21 | 12.1308; 12.7614; 20.027 90; 90; 90 | 3100.3 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109017 | CIF HKL | C34 H54 O4 | P 21 21 21 | 10.7032; 16.2471; 17.3698 90; 90; 90 | 3020.54 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109018 | CIF HKL | C34 H56 O3 | P 21 21 21 | 10.3008; 16.2751; 17.6374 90; 90; 90 | 2956.85 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109019 | CIF HKL | C34 H54 O4 | P 21 21 21 | 10.3043; 16.1852; 17.627 90; 90; 90 | 2939.78 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109020 | CIF HKL Paper | As4 Cl1.33 O16 Pb6.67 | P 1 21 1 | 20.4487; 7.4362; 20.4513 90; 119.953; 90 | 2694.5 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
| 2109021 | CIF HKL | As4 Cl1.33 O16 Pb6.67 | P 1 1 21/b | 10.2378; 20.4573; 7.4457 90; 90; 120.039 | 1349.96 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
| 2109022 | CIF HKL | As3 Cl O12 Pb5 | P 1 1 21/b | 10.2398; 20.4774; 7.4554 90; 90; 119.981 | 1354.1 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
| 2109023 | CIF HKL | As2 Cl0.67 O8 Pb3.33 | P 1 1 21/b | 10.2552; 20.4913; 7.4576 90; 90; 119.993 | 1357.29 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
| 2109024 | CIF HKL | As4 Cl1.33 O16 Pb6.67 | P 1 1 21/b | 10.2544; 20.5052; 7.4568 90; 90; 119.971 | 1358.26 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
| 2109025 | CIF | As3 Cl O12 Pb5 | P 63/m | 10.2722; 10.2722; 7.4537 90; 90; 120 | 681.13 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
| 2109026 | CIF HKL Paper | C21 H18 N4 O2 Pb S | P 1 21 1 | 7.9341; 8.014; 15.3431 90; 91.259; 90 | 975.34 | Mahmoudi, Ghodrat; García-Santos, Isabel; Pittelkow, Michael; Kamounah, Fadhil S.; Zangrando, Ennio; Babashkina, Maria G.; Frontera, Antonio; Safin, Damir A. The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivative Acta Crystallographica Section B, 2022, 78, 685-694 |
| 2109027 | CIF HKL Paper | C2 H8 N O5 P | P 1 21/a 1 | 9.7872; 8.4868; 7.407 90; 100.43; 90 | 605.1 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109028 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.7823; 8.4929; 7.412 90; 100.44; 90 | 605.6 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109029 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.7272; 8.4963; 7.332 90; 100.45; 90 | 595.9 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109030 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.6758; 8.4905; 7.306 90; 100.43; 90 | 590.3 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109031 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.6118; 8.4921; 7.251 90; 100.4; 90 | 582.1 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109032 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.5551; 8.501; 7.182 90; 100.35; 90 | 573.9 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109033 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.4961; 8.5028; 7.127 90; 100.38; 90 | 566 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109034 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.4462; 8.5075; 7.057 90; 100.46; 90 | 557.7 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109035 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.3869; 8.5115; 6.98 90; 100.5; 90 | 548.3 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109036 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.3265; 8.5118; 6.889 90; 100.68; 90 | 537.4 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109037 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.2779; 8.5031; 6.835 90; 100.76; 90 | 529.7 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109038 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.2492; 8.5144; 6.769 90; 100.94; 90 | 523.4 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109039 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.2008; 8.5014; 6.745 90; 100.94; 90 | 518 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
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