Crystallography Open Database

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2022874 CIF
HKL
Cs I4P 1 21/c 110.2847; 8.9809; 11.21
90; 114.598; 90
941.46Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed
Deformation of polyiodides in Cs2I8 crystals at high pressure
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939
2022875 CIF
HKL
Cs I4P 1 21/c 110.1323; 8.88899; 11.0453
90; 114.957; 90
901.91Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed
Deformation of polyiodides in Cs2I8 crystals at high pressure
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939
2022876 CIF
HKL
Cs I4P 1 21/c 19.997; 8.8025; 10.9003
90; 115.28; 90
867.3Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed
Deformation of polyiodides in Cs2I8 crystals at high pressure
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939
2022877 CIF
HKL
Cs I4P 1 21/c 19.934; 8.7538; 10.8339
90; 115.517; 90
850.2Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed
Deformation of polyiodides in Cs2I8 crystals at high pressure
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939
2022878 CIF
HKL
Cs I4P 1 21/c 19.842; 8.7061; 10.7364
90; 115.68; 90
829.1Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed
Deformation of polyiodides in Cs2I8 crystals at high pressure
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939
2022879 CIF
HKL
Cs I4P 1 21/c 19.788; 8.6889; 10.66
90; 115.607; 90
817.6Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed
Deformation of polyiodides in Cs2I8 crystals at high pressure
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939
2022880 CIF
HKL
Cs I4P 1 21/c 19.7195; 8.6486; 10.59
90; 115.709; 90
802.07Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed
Deformation of polyiodides in Cs2I8 crystals at high pressure
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939
2022881 CIF
HKL
Cs I4P 1 21/c 19.637; 8.6017; 10.4967
90; 115.788; 90
783.46Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed
Deformation of polyiodides in Cs2I8 crystals at high pressure
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939
2022882 CIF
HKL
Cs I4P 1 21/c 19.6171; 8.5889; 10.4726
90; 115.81; 90
778.75Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed
Deformation of polyiodides in Cs2I8 crystals at high pressure
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939
2022883 CIF
HKL
Cs I4P 1 21/c 19.5973; 8.5648; 10.4284
90; 115.854; 90
771.4Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed
Deformation of polyiodides in Cs2I8 crystals at high pressure
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939
2022884 CIF
HKL
Cs I4P 1 21/c 19.4705; 8.5022; 10.2962
90; 115.934; 90
745.56Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed
Deformation of polyiodides in Cs2I8 crystals at high pressure
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939
2022885 CIF
HKL
Cs I4P 1 21/c 19.4109; 8.4696; 10.2258
90; 115.972; 90
732.75Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed
Deformation of polyiodides in Cs2I8 crystals at high pressure
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939
2022886 CIF
HKL
Cs I4P 1 21/c 19.3544; 8.4389; 10.1587
90; 115.998; 90
720.79Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed
Deformation of polyiodides in Cs2I8 crystals at high pressure
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939
2022887 CIF
HKL
Cs I4P 1 21/c 19.2978; 8.4056; 10.0857
90; 116.015; 90
708.37Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed
Deformation of polyiodides in Cs2I8 crystals at high pressure
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 934-939
2022888 CIF
HKL
Paper
C7 H9 N O2P b c a13.70079; 7.16238; 25.8688
90; 90; 90
2538.51Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964
2022889 CIF
HKL
Paper
C19 H21 N O6P 42/n :222.55; 22.55; 6.8267
90; 90; 90
3471.4Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964
2022890 CIF
HKL
Paper
C32 H36 N2 O10P 1 21 16.9488; 9.982; 20.881
90; 90.927; 90
1448.2Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964
2022891 CIF
HKL
Paper
C13 H15 N O4P b c a9.4231; 10.3938; 24.7171
90; 90; 90
2420.84Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964
2022892 CIF
HKL
Paper
C13 H15 N O4P 1 21/c 112.867; 9.55; 10.487
90; 110.761; 90
1205Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964
2022893 CIF
HKL
Paper
C10 H12 N O3P -16.83171; 7.09634; 10.01294
72.4243; 85.7351; 73.9285
444.659Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964
2022894 CIF
HKL
Paper
C20 H24 N2 O6P 1 21/n 111.71471; 7.32566; 22.0867
90; 100.608; 90
1863.04Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964
2022895 CIF
HKL
Paper
C13 H15 N O4P 1 21/n 17.13393; 18.2199; 9.1517
90; 95.4213; 90
1184.21Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964
2022896 CIF
HKL
Paper
C20 H24 N2 O7P b c a6.9983; 18.4416; 28.896
90; 90; 90
3729.31Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964
2022897 CIF
HKL
Paper
C20 H28 N2 O9P -17.9892; 10.197; 12.876
91.088; 93.874; 90.209
1046.4Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964
2022898 CIF
HKL
Paper
C19 H21 N O8C 1 2/c 128.0626; 9.2719; 14.6075
90; 107.081; 90
3633.13Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964
2022899 CIF
HKL
Paper
C19 H21 N O8P n a 2114.592; 9.3121; 26.795
90; 90; 90
3641Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar
Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 946-964
2022900 CIF
HKL
Paper
B3 Ca H7 O9P -16.639; 8.3489; 6.4786
90.77; 101.94; 86.747
350.76Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael
Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945
2022901 CIF
HKL
Paper
B3 Ca H7 O9P -16.55; 8.2005; 6.4337
90.367; 102.63; 86.784
336.68Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael
Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945
2022902 CIF
HKL
Paper
B3 Ca H7 O9P -16.478; 8.0733; 6.3923
89.972; 103.3; 86.857
324.82Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael
Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945
2022903 CIF
HKL
Paper
B3 Ca H7 O9P -16.465; 8.059; 6.388
89.922; 103.38; 86.859
323.3Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael
Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945
2022904 CIF
HKL
Paper
B3 Ca H7 O9P -16.124; 7.6014; 6.8051
97.548; 107.416; 100.462
291.36Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael
Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945
2022905 CIF
HKL
Paper
B3 Ca H7 O9P -16.095; 7.559; 6.7696
97.576; 107.579; 100.34
286.68Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael
Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945
2022906 CIF
HKL
Paper
B3 Ca H7 O9P -16.071; 7.5224; 6.7393
97.606; 107.703; 100.254
282.75Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael
Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945
2022907 CIF
HKL
Paper
B3 Ca H7 O9P -16.05; 7.4908; 6.7136
97.629; 107.773; 100.211
279.42Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael
Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2021, 77, 940-945
2108735 CIF
HKL
Ag3.06 O12 P3 Sc2C 1 2/c 115.467; 8.9627; 9.1186
90; 124.144; 90
1046.2Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel
Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system
Acta Crystallographica Section B, 2021, 77, 10-22
2108736 CIF
HKL
Ag3.03 O12 P2 Sc2C 1 2/c 115.5374; 8.9703; 22.5718
90; 89.9984; 90
3145.95Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel
Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system
Acta Crystallographica Section B, 2021, 77, 10-22
2108737 CIF
HKL
Ag3.05 O12 P3 Sc2R -3 c :H8.9756; 8.9756; 22.6248
90; 90; 120
1578.49Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel
Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system
Acta Crystallographica Section B, 2021, 77, 10-22
2108738 CIF
HKL
Ag3.02 O12 P3 Sc2R -3 c :H8.9671; 8.9671; 22.7622
90; 90; 120
1585.1Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel
Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system
Acta Crystallographica Section B, 2021, 77, 10-22
2108739 CIF
HKL
C18 H10 Cl2 O2 S2P 1 21/c 14.6455; 15.9427; 10.1908
90; 95.846; 90
750.82Sakthidharan, C. P.; Niewa, R.; Zherebtsov, D. A.; Podgornov, F. V.; Matveychuk, Y. V.; Bartashevich, E. V.; Nayfert, S. A.; Adonin, S. A.; Gavrilyak, M. V.; Boronin, V. A.; Polozov, M. A.; Karthikeyan, S.; Sarojadevi, M.; Rajakumar, K.; Prabunathan, P.
Crystal structures and dielectric properties of 4,4'-dimethyl-6,6'-dichlorothioindigo (Pigment Red 181)
Acta Crystallographica Section B, 2021, 77, 23-30
2108740 CIF
HKL
C18 H10 Cl2 O2 S2P -13.8612; 8.8249; 11.2319
94.972; 92.244; 90.968
380.91Sakthidharan, C. P.; Niewa, R.; Zherebtsov, D. A.; Podgornov, F. V.; Matveychuk, Y. V.; Bartashevich, E. V.; Nayfert, S. A.; Adonin, S. A.; Gavrilyak, M. V.; Boronin, V. A.; Polozov, M. A.; Karthikeyan, S.; Sarojadevi, M.; Rajakumar, K.; Prabunathan, P.
Crystal structures and dielectric properties of 4,4'-dimethyl-6,6'-dichlorothioindigo (Pigment Red 181)
Acta Crystallographica Section B, 2021, 77, 23-30
2108741 CIF
HKL
C32 H27 F3 N4 O3P -15.2419; 15.0825; 18.4638
103.874; 93.756; 97.404
1398.3Schneider-Rauber, Gabriela; Arhangelskis, Mihails; Bond, Andrew D.; Ho, Raimundo; Nere, Nandkishor; Bordawekar, Shailendra; Sheikh, Ahmad Y.; Jones, William
Polymorphism and surface diversity arising from stress-induced transformations ‒ the case of multicomponent forms of carbamazepine
Acta Crystallographica Section B, 2021, 77, 54-67
2108742 CIF
HKL
Paper
C7.5 H10 N3 O4P -16.905; 8.394; 9.339
117.56; 102.07; 89.39
466.94Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena
Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt
Acta Crystallographica Section B, 2021, 77, 31-40
2108743 CIF
HKL
C7.5 H10 N3 O4P -16.999; 8.378; 9.249
116.22; 101.88; 91.18
472.3Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena
Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt
Acta Crystallographica Section B, 2021, 77, 31-40
2108744 CIF
HKL
C7.5 H10 N3 O4P -16.98; 8.4; 9.23
116.4; 101.57; 91.09
471.3Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena
Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt
Acta Crystallographica Section B, 2021, 77, 31-40
2108745 CIF
HKL
C7.5 H10 N3 O4P -17.295; 8.28; 9.249
115.79; 103.12; 91.91
484.3Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena
Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt
Acta Crystallographica Section B, 2021, 77, 31-40
2108746 CIF
HKL
Paper
C30 H36 Co Mo8 N7 O30P 1 21/c 119.27; 10.993; 23.917
90; 107.517; 90
4831.5Atencio, Reinaldo; Briceño, Alexander; Bruno-Colmenarez, Julia; Silva, Pedro; Rodríguez, Laura; Sosa, Eleida; Limones, Erick; Pacheco, Yesenia; Cáceres, Julio; Vielma, Joel
Concomitance of octamolybdate isomers in metastable crystal structures isolated using homoleptic Co^II^/Co^III^ complexes as structure-directing templates
Acta Crystallographica Section B, 2021, 77, 99-114
2108747 CIF
HKL
Paper
C60 H72 Co2 Mo12 N12 O51P 1 21/n 111.151; 21.972; 37.57
90; 97.218; 90
9132Atencio, Reinaldo; Briceño, Alexander; Bruno-Colmenarez, Julia; Silva, Pedro; Rodríguez, Laura; Sosa, Eleida; Limones, Erick; Pacheco, Yesenia; Cáceres, Julio; Vielma, Joel
Concomitance of octamolybdate isomers in metastable crystal structures isolated using homoleptic Co^II^/Co^III^ complexes as structure-directing templates
Acta Crystallographica Section B, 2021, 77, 99-114
2108748 CIF
HKL
Paper
C20 H16 Co Mo4 N4 O13P 1 21/n 110.053; 16.408; 15.749
90; 100.06; 90
2557.9Atencio, Reinaldo; Briceño, Alexander; Bruno-Colmenarez, Julia; Silva, Pedro; Rodríguez, Laura; Sosa, Eleida; Limones, Erick; Pacheco, Yesenia; Cáceres, Julio; Vielma, Joel
Concomitance of octamolybdate isomers in metastable crystal structures isolated using homoleptic Co^II^/Co^III^ complexes as structure-directing templates
Acta Crystallographica Section B, 2021, 77, 99-114
2108749 CIF
HKL
C2 H5 Na OP -4 21 m4.41084; 4.41084; 9.06779
90; 90; 90
176.418Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
Acta Crystallographica Section B, 2021, 77
2108750 CIF
HKL
C6 H17 Na O3P 1 21/n 111.622; 5.1926; 17.682
90; 104.08; 90
1035Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
Acta Crystallographica Section B, 2021, 77
2108751 CIF
HKL
C3 H7 Na OP 4/n m m :24.38439; 4.38439; 12.1431
90; 90; 90
233.425Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
Acta Crystallographica Section B, 2021, 77
2108752 CIF
HKL
C4 H9 Na OP 4/n m m :24.43232; 4.43232; 14.0143
90; 90; 90
275.317Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
Acta Crystallographica Section B, 2021, 77
2108753 CIF
HKL
C5 H11 Na OP 4/n m m :24.4084; 4.4084; 16.9376
90; 90; 90
329.17Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
Acta Crystallographica Section B, 2021, 77
2108754 CIF
HKL
C18 H47 Na O6C 1 2/c 121.2073; 17.1307; 17.825
90; 123.871; 90
5376.8Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
Acta Crystallographica Section B, 2021, 77
2108755 CIF
HKL
C9 H23 Na O3C 1 2/c 123.745; 5.075; 24.174
90; 111.589; 90
2708.7Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
Acta Crystallographica Section B, 2021, 77
2108756 CIFC10 H23 Na O2P 1 21/c 110.126; 6.0299; 20.6944
90; 104.16; 90
1225.18Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
Acta Crystallographica Section B, 2021, 77
2108757 CIF
HKL
C10 H11 N O3P 1 21/c 18.6896; 10.891; 9.596
90; 90.075; 90
908.15Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof
HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data
Acta Crystallographica Section B, 2021, 77
2108758 CIF
HKL
C5 H12 O5P 21 21 218.2707; 8.9022; 8.9217
90; 90; 90
656.88Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof
HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data
Acta Crystallographica Section B, 2021, 77
2108759 CIF
HKL
C5 H6 N2 O2I b a m13.17921; 13.20059; 6.21502
90; 90; 90
1081.25Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof
HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data
Acta Crystallographica Section B, 2021, 77
2108760 CIF
HKL
C5 H6 N2 O2I b a m13.1643; 13.184; 6.2067
90; 90; 90
1077.22Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof
HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data
Acta Crystallographica Section B, 2021, 77
2108761 CIFC10 H11 N O3P 1 21/c 18.6809; 10.8826; 9.6214
90; 90.15; 90
908.94Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof
HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data
Acta Crystallographica Section B, 2021, 77
2108762 CIF
Paper
C16 H26 O6C 1 2 112.5887; 6.9; 18.2523
90; 107.227; 90
1514.31Savic, Viktor; Eder, Felix; Göb, Christian; Mihovilovic, Marko D.; Stanetty, Christian; Stöger, Berthold
The role of hydrogen bonding in the incommensurate modulation of <i>myo</i>-inositol camphor ketal
Acta Crystallographica Section B, 2021, 77
2108763 CIF
HKL
La3 Li6.27 O12 Ta1.09 Zr0.91I a -3 d12.8511; 12.8511; 12.8511
90; 90; 90
2122.37Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel
Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K)
Acta Crystallographica Section B, 2021, 77, 123-130
2108764 CIF
HKL
La3 Li6.27 O12 Ta1.09 Zr0.91I a -3 d12.8592; 12.8592; 12.8592
90; 90; 90
2126.38Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel
Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K)
Acta Crystallographica Section B, 2021, 77, 123-130
2108765 CIF
HKL
La3 Li6.27 O12 Ta1.09 Zr0.91I a -3 d12.8775; 12.8775; 12.8775
90; 90; 90
2135.48Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel
Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K)
Acta Crystallographica Section B, 2021, 77, 123-130
2108766 CIF
HKL
La3 Li6.27 O12 Ta1.09 Zr0.91I a -3 d12.9051; 12.9051; 12.9051
90; 90; 90
2149.24Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel
Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K)
Acta Crystallographica Section B, 2021, 77, 123-130
2108767 CIF
HKL
C14 H6 N6 O12C 1 2/c 121.221; 10.308; 19.4134
90; 129.087; 90
3296.17Liu, Yunzhang; Chen, Lizhen; Wang, Jianlong; Chen, Jun; Wang, Jingqi; Pan, Hongxia
The crystal structure and thermal decomposition kinetics of <i>cis</i>-hexanitrostilbene
Acta Crystallographica Section B, 2021, 77
2108768 CIF
HKL
Paper
C34 H32 N8 Ni2 O8 S2P 1 21/c 19.9403; 11.5796; 16.0806
90; 101.178; 90
1815.84Feng, Tao; Li, Li-Li; Li, Ya-Juan; Dong, Wen-Kui
A half-salamo-based pyridine-containing ligand and its novel Ni^II^ complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis
Acta Crystallographica Section B, 2021, 77, 168-181
2108769 CIF
HKL
Paper
C32 H32 N12 Ni2 O8P 1 21/n 111.6387; 10.0171; 14.794
90; 96.348; 90
1714.2Feng, Tao; Li, Li-Li; Li, Ya-Juan; Dong, Wen-Kui
A half-salamo-based pyridine-containing ligand and its novel Ni^II^ complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis
Acta Crystallographica Section B, 2021, 77, 168-181
2108770 CIF
HKL
Paper
C18 H16 N6 Ni O4P 1 21/n 19.5255; 17.0181; 11.2611
90; 93.25; 90
1822.6Feng, Tao; Li, Li-Li; Li, Ya-Juan; Dong, Wen-Kui
A half-salamo-based pyridine-containing ligand and its novel Ni^II^ complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis
Acta Crystallographica Section B, 2021, 77, 168-181
2108771 CIF
HKL
Cu2 Ge Se3C 1 c 16.7703; 11.8624; 6.7705
90; 108.512; 90
515.62Dugarte-Dugarte, Analio; Ramírez Pineda, Nahum; Nieves, Luis; Henao, José Antonio; Díaz de Delgado, Graciela; Delgado, José Miguel
The crystal structure of Cu~2~GeSe~3~ and the structure-types of the I~2~-IV-VI~3~ family of semiconducting compounds
Acta Crystallographica Section B, 2021, 77, 158-167
2108772 CIF
HKL
Paper
C5 H12 O5P 21 21 218.2993; 8.9697; 8.9693
90; 90; 90
667.69Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108773 CIF
HKL
C5 H12 O5P 21 21 218.2694; 8.9403; 8.8438
90; 90; 90
653.83Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108774 CIF
HKL
C5 H12 O5P 21 21 218.2305; 8.8992; 8.7624
90; 90; 90
641.8Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108775 CIF
HKL
C5 H12 O5P 21 21 218.2213; 8.883; 8.7242
90; 90; 90
637.13Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108776 CIF
HKL
C5 H12 O5P 21 21 218.204; 8.854; 8.6809
90; 90; 90
630.6Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108777 CIF
HKL
C5 H12 O5P 21 21 218.154; 8.7964; 8.561
90; 90; 90
614.04Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108778 CIF
HKL
C5 H12 O5P 21 21 218.105; 8.752; 8.462
90; 90; 90
600.3Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108779 CIF
HKL
C5 H12 O5P 21 21 218.0845; 8.67; 8.3725
90; 90; 90
586.9Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108780 CIF
HKL
C5 H12 O5P 21 21 218.0696; 8.65; 8.309
90; 90; 90
580Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108781 CIF
HKL
C5 H12 O5P 21 21 218.0108; 8.627; 8.263
90; 90; 90
571Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108782 CIF
HKL
C5 H12 O5P 21 21 217.9846; 8.6043; 8.179
90; 90; 90
561.9Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108783 CIF
HKL
Paper
C14 H16 N2 O8 ZnP -17.2924; 7.445; 8.0936
97.966; 103.385; 115.659
370.76May, Nóra Veronika; Nys, Kevin; Ching, H. Y. Vincent; Bereczki, Laura; Holczbauer, Tamás; Di Marco, Valerio B.; Bombicz, Petra
Crystal structures of zinc(II) complexes with β-hydroxypyridinecarboxylate ligands: examples of structure-directing effects used in inorganic crystal engineering
Acta Crystallographica Section B, 2021, 77
2108784 CIF
HKL
Paper
C16 H18 N2 O7 ZnP -18.2959; 10.1989; 10.3466
70.187; 82.585; 79.659
808.01May, Nóra Veronika; Nys, Kevin; Ching, H. Y. Vincent; Bereczki, Laura; Holczbauer, Tamás; Di Marco, Valerio B.; Bombicz, Petra
Crystal structures of zinc(II) complexes with β-hydroxypyridinecarboxylate ligands: examples of structure-directing effects used in inorganic crystal engineering
Acta Crystallographica Section B, 2021, 77
2108785 CIF
HKL
Paper
C16 H22 N2 O9 ZnC 1 2/c 110.8962; 10.3334; 16.6916
90; 108.435; 90
1782.94May, Nóra Veronika; Nys, Kevin; Ching, H. Y. Vincent; Bereczki, Laura; Holczbauer, Tamás; Di Marco, Valerio B.; Bombicz, Petra
Crystal structures of zinc(II) complexes with β-hydroxypyridinecarboxylate ligands: examples of structure-directing effects used in inorganic crystal engineering
Acta Crystallographica Section B, 2021, 77
2108786 CIF
HKL
Paper
C28 H36 N4 O18 Zn2P -17.9237; 8.574; 12.3954
84.248; 74.706; 85.908
807.32May, Nóra Veronika; Nys, Kevin; Ching, H. Y. Vincent; Bereczki, Laura; Holczbauer, Tamás; Di Marco, Valerio B.; Bombicz, Petra
Crystal structures of zinc(II) complexes with β-hydroxypyridinecarboxylate ligands: examples of structure-directing effects used in inorganic crystal engineering
Acta Crystallographica Section B, 2021, 77
2108787 CIF
HKL
Paper
C72 H52 Fe2 N22 O2P 1 21/c 118.1614; 22.1885; 17.1716
90; 110.894; 90
6464.7Cvrtila, Ivica; Stilinović, Vladimir
Polymorphs of phenazine hexacyanoferrate(II) hydrate: supramolecular isomerism in a 2D hydrogen-bonded network
Acta Crystallographica Section B, 2021, 77
2108788 CIF
HKL
Paper
C72 H52 Fe2 N22 O2P -114.2252; 16.1364; 16.2813
89.859; 67.664; 68.977
3187.7Cvrtila, Ivica; Stilinović, Vladimir
Polymorphs of phenazine hexacyanoferrate(II) hydrate: supramolecular isomerism in a 2D hydrogen-bonded network
Acta Crystallographica Section B, 2021, 77
2108789 CIF
HKL
Al3 Na6 O20 P5C 1 2/c 118.631; 37.41; 9.272
90; 90.063; 90
6462Yakubovich, Olga V.; Kiriukhina, Galina V.; Volkov, Anatoliy S.; Dimitrova, Olga V.; Borovikova, Elena Yu.
Novel aluminophosphate Na~6~[Al~3~P~5~O~20~] with the original microporous crystal structure established in the study of a pseudomerohedric microtwin
Acta Crystallographica Section B, 2021, 77
2108790 CIF
HKL
C3 H17 Al N2 O14 S2P 1 2/a 112.0026; 6.7859; 9.1005
90; 88.835; 90
741.07Zarychta, Bartosz; Czapla, Zbigniew; Przesławski, Janusz; Szklarz, Przemysław
Structure, ferroelasticity and Goldilocks zone phase transitions in C~3~H~5~N~2~Al(SO~4~)~2~·6H~2~O
Acta Crystallographica Section B, 2021, 77
2108791 CIF
HKL
C3 H17 Al N2 O14 S2P -3 m 16.8748; 6.8748; 9.155
90; 90; 120
374.72Zarychta, Bartosz; Czapla, Zbigniew; Przesławski, Janusz; Szklarz, Przemysław
Structure, ferroelasticity and Goldilocks zone phase transitions in C~3~H~5~N~2~Al(SO~4~)~2~·6H~2~O
Acta Crystallographica Section B, 2021, 77
2108792 CIF
HKL
C3 H17 Al N2 O14 S2P -3 m 16.868; 6.868; 9.1617
90; 90; 120
374.25Zarychta, Bartosz; Czapla, Zbigniew; Przesławski, Janusz; Szklarz, Przemysław
Structure, ferroelasticity and Goldilocks zone phase transitions in C~3~H~5~N~2~Al(SO~4~)~2~·6H~2~O
Acta Crystallographica Section B, 2021, 77
2108793 CIF
HKL
C16 H19 N3 O2P 21 21 217.7498; 11.794; 17.2849
90; 90; 90
1579.86Meenatchi, Venkatasamy; Subramanian Siva; Meenakshisundaram, SP; Cheng, Liang
Synthesis, crystal growth, characterization and DFT investigation of a nonlinear optically active cuminaldehyde derivative hydrazone
Acta Crystallographica Section B, 2021, 77
2108794 CIF
HKL
Paper
C12 H14 Cu N5 O3 SP 21 21 217.905; 12.723; 14.678
90; 90; 90
1476.2Kowalska, Dorota A.; Kinzhybalo, Vasyl; Slyvka, Yuriy I.; Wołcyrz, Marek
Crystal structure and enantiomeric layer disorder of a copper(I) nitrate π-coordination compound
Acta Crystallographica Section B, 2021, 77
2108795 CIF
HKL
Ba0.08 Ca0.16 Fe0.38 K0.36 Mg0.1 Mn0.18 Na2.77 O18 Si4 Sr1.45 Ti2.52C 1 2/m 119.405; 7.0885; 5.3988
90; 96.739; 90
737.49Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.
Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study
Acta Crystallographica Section B, 2021, 77
2108796 CIF
HKL
Ba0.87 Ca0.17 Fe0.36 K0.45 Mg0.08 Mn0.24 Na2.46 O18 Si4 Sr0.51 Ti2.86C 1 2/m 119.769; 7.1076; 5.4065
90; 96.731; 90
754.43Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.
Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study
Acta Crystallographica Section B, 2021, 77
2108797 CIF
HKL
Ba0 Ca0.15 Fe0.13 K0.09 Mg0.05 Mn0.35 Na2.8 O18 Si4 Sr1.5 Ti2.82C 1 2/m 119.2231; 7.0832; 5.3907
90; 96.859; 90
728.75Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.
Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study
Acta Crystallographica Section B, 2021, 77
2108798 CIF
HKL
Ba1.15 Ca0.17 Fe0.53 K0.41 Mg0.12 Mn0.12 Na2.7 O18 Si4 Sr0.27 Ti2.53C 1 2/m 119.8574; 7.1034; 5.4063
90; 96.611; 90
757.52Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.
Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study
Acta Crystallographica Section B, 2021, 77
2108799 CIF
HKL
Ba0.05 Ca0.09 Fe0.46 K0.1 Mg0.17 Mn0.17 Na3.1 O18 Si4 Sr1.4 Ti2.43C 1 2/m 119.2616; 7.0663; 5.3735
90; 96.698; 90
726.39Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.
Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study
Acta Crystallographica Section B, 2021, 77
2108800 CIF
HKL
Paper
C15 H10 F I OP 1 21/c 122.9802; 4.7448; 12.2026
90; 96.534; 90
1321.89Hamilton, Victoria; Harris, Connah; Hall, Charlie L.; Potticary, Jason; Cremeens, Matthew E.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Stephen D.; Pridmore, Natalie E.; Sparkes, Hazel A.; Hall, Simon R.
Structural effects of halogen bonding in iodochalcones
Acta Crystallographica Section B, 2021, 77

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