Crystallography Open Database

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Searching journal of publication like 'Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials' volume of publication is 78

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2108959 CIF
HKL
C24 H14 N4 O2 SP 1 21/n 120.7891; 3.8267; 25.145
90; 111.747; 90
1858Postnikov, 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 CIFAl5 Dy0.75 Gd0.75 Ho0.75 O12 Tb0.75I a -3 d12.08917; 12.08917; 12.08917
90; 90; 90
1766.81Pianassola, 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 CIFAl5 Dy0.75 Gd0.75 Lu0.75 O12 Tb0.75I a -3 d12.0516; 12.0516; 12.0516
90; 90; 90
1750.39Pianassola, 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 CIFAl5 Dy0.75 Gd0.75 Lu0.75 O12 Tb0.75I a -3 d12.0703; 12.0703; 12.0703
90; 90; 90
1758.55Pianassola, 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 O4P 21 21 2111.8862; 13.1419; 18.8884
90; 90; 90
2950.51Langer, 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 CIFC33 H52 O4P 21 21 2113.1807; 13.2466; 17.2198
90; 90; 90
3006.57Langer, 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 O4P 21 21 2113.02432; 12.99238; 16.69407
90; 90; 90
2824.92Langer, 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 O5P 21 21 2112.9136; 13.7752; 18.7441
90; 90; 90
3334.34Langer, 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 O4P 1 21/n 16.9129; 6.4872; 11.2465
90; 90.4816; 90
504.336Aree, 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 O4P 1 21/n 16.9146; 6.4963; 11.252
90; 90.49; 90
505.414Aree, 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 O4P 1 21/n 16.9165; 6.5072; 11.2575
90; 90.4987; 90
506.648Aree, 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 O4P 1 21/n 16.9184; 6.5187; 11.2646
90; 90.5108; 90
508.002Aree, 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 O4P 1 21/n 16.9209; 6.5336; 11.2726
90; 90.5215; 90
509.708Aree, 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 O4P 1 21/n 16.9254; 6.5582; 11.2866
90; 90.5441; 90
512.593Aree, 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 O4P 1 21/n 16.9303; 6.5873; 11.3017
90; 90.5672; 90
515.92Aree, 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 O4P 1 21/n 16.935; 6.619; 11.3172
90; 90.5886; 90
519.463Aree, 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 O4P 1 21/n 16.9413; 6.6532; 11.3353
90; 90.608; 90
523.46Aree, 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 O4P 1 21/n 16.9484; 6.6942; 11.3547
90; 90.618; 90
528.12Aree, 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 O0.75R -3 m :H7.3806; 7.3806; 31.5783
90; 90; 120
1489.71Chernyshov, 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 O0.75R -3 m :H7.3869; 7.3869; 31.2243
90; 90; 120
1475.53Chernyshov, 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 O0.75R -3 m :H7.4091; 7.4091; 31.216
90; 90; 120
1484.02Chernyshov, 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 P2P -110.321; 15.231; 15.663
82.73; 80.201; 71.847
2298.4Zheng, 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 O15P -312.3686; 12.3686; 21.1962
90; 90; 120
2808.21Filatov, 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 O12P -17.56; 9.7304; 11.9386
84.368; 87.579; 70.534
823.99Filatov, 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 O30R -3 :H10.2003; 10.2003; 29.408
90; 90; 120
2649.9Filatov, 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 Zn2C 1 2 112.05; 8.11; 31.47
90; 92.48; 90
3073Rey, 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 O12P 1 21 113.9887; 6.891; 14.3405
90; 109.51; 90
1303Rey, 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 O8P 1 21/c 111.279; 5.5252; 17.45
90; 96.84; 90
1079.7Rey, 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 O9P 17.245; 7.251; 16.014
91.685; 97.664; 112.798
765.6Rey, 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 CIFC22 H32 Cu N4 O9P 1 21 113.9687; 6.8845; 14.3443
90; 109.401; 90
1301.13Rey, 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 Sm0.93R 3 2 :H9.5638; 9.5638; 7.579
90; 90; 120
600.349Smirnova, 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 Sm0.93R 3 2 :H9.5635; 9.5635; 7.5823
90; 90; 120
600.572Smirnova, 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 Sm0.93R 3 2 :H9.5642; 9.5642; 7.5883
90; 90; 120
601.136Smirnova, 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 Sm0.93R 3 2 :H9.565; 9.565; 7.5972
90; 90; 120
601.941Smirnova, 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 SmR 3 2 :H9.5665; 9.5665; 7.5911
90; 90; 120
601.647Smirnova, 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 SP 1 21/c 110.4613; 31.2244; 12.2241
90; 104.45; 90
3866.66Tobón 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 S2P 1 21/c 17.3063; 10.8907; 16.4396
90; 90.67; 90
1308.02Tobón 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 O5C 1 2/c 116.0117; 9.6657; 17.4382
90; 101.948; 90
2640.3Konovalova, 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 O5P 1 21/c 114.3254; 8.7613; 11.4085
90; 112.48; 90
1323.07Konovalova, 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 CIFC2 H6 O6P 1 21/c 16.0931; 3.4921; 11.8409
90; 103.842; 90
244.63Davidson, 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 OP 1 21/n 13.5885; 6.7605; 22.434
90; 92.748; 90
543.6Hoser, 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 CIFC5 H5 N3 OP 1 21/n 13.633; 6.753; 22.546
90; 92.39; 90
552.7Hoser, 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 CIFC5 H5 N3 OP 1 21/c 114.3433; 3.6086; 10.6023
90; 100.982; 90
538.72Hoser, 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 CIFC5 H5 N3 OP 1 21/c 114.328; 3.633; 10.628
90; 101.169; 90
542.7Hoser, 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 CIFC5 H5 N3 OP 1 c 17.1818; 3.6295; 10.6533
90; 106.377; 90
266.43Hoser, 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 CIFC5 H5 N3 OP 1 c 17.173; 3.65; 10.686
90; 106.487; 90
268.27Hoser, 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 CIFC5 H5 N3 OP -15.1026; 5.7083; 9.8487
97.526; 98.499; 106.564
267.37Hoser, 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 CIFC5 H5 N3 OP -15.128; 5.708; 9.857
97.45; 98.04; 106.55
269.45Hoser, 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 V3P n a m16.8658; 9.3282; 3.63523
90; 90; 90
571.92Schoiber, 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 V2.85P n a m16.879; 9.3325; 3.64357
90; 90; 90
573.95Schoiber, 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

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