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
2108801 CIF
HKL
C15 H10 F I OP -16.12; 10.7976; 20.3875
103.101; 95.16; 98.186
1288.32Hamilton, 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
2108802 CIF
HKL
C15 H10 I N O3P 1 21/c 117.9016; 5.8824; 25.4871
90; 94.427; 90
2675.9Hamilton, 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
2108803 CIFAs0.201 H10 O21 P0.799 Pb2 U3P 1 21/m 17.0258; 17.1769; 8.1463
90; 108.886; 90
930.18Plášil, Jakub; Petříček, Václav; Škácha, Pavel
Crystal structure of the uranyl arsenate mineral hügelite, Pb~2~(UO~2~)~3~O~2~(AsO~4~)~2~(H~2~O)~5~, revisited: a correct unit cell, twinning and hydrogen bonding
Acta Crystallographica Section B, 2021, 77
2108804 CIFAs0.195 O21 P0.805 Pb2 U3P 1 21/m 17.0189; 17.137; 8.131
90; 108.9; 90
925.29Plášil, Jakub; Petříček, Václav; Škácha, Pavel
Crystal structure of the uranyl arsenate mineral hügelite, Pb~2~(UO~2~)~3~O~2~(AsO~4~)~2~(H~2~O)~5~, revisited: a correct unit cell, twinning and hydrogen bonding
Acta Crystallographica Section B, 2021, 77
2108805 CIF
HKL
Paper
C31 H39 N O3P 21 21 216.2484; 13.7976; 32.4874
90; 90; 90
2800.8Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108806 CIF
HKL
C31 H39 N O3P 21 21 216.2711; 13.7242; 32.5405
90; 90; 90
2800.6Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108807 CIF
HKL
C31 H39 N O3P 21 21 216.2975; 13.6726; 32.5998
90; 90; 90
2806.9Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108808 CIF
HKL
C31 H39 N O3P 21 21 216.3387; 13.5668; 32.6429
90; 90; 90
2807.2Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108809 CIF
HKL
C31 H39 N O3P 21 21 216.3595; 13.5442; 32.6718
90; 90; 90
2814.2Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108810 CIF
HKL
C31 H39 N O3P 21 21 216.3663; 13.5168; 32.6694
90; 90; 90
2811.3Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108811 CIF
HKL
C31 H39 N O3P 21 21 216.3696; 13.4941; 32.6553
90; 90; 90
2806.8Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108812 CIF
HKL
C31 H39 N O3P 21 21 216.3861; 13.4799; 32.6933
90; 90; 90
2814.4Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108813 CIF
HKL
C31 H39 N O3P 21 21 216.392; 13.4462; 32.676
90; 90; 90
2808.4Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108814 CIF
HKL
C31 H39 N O3P 21 21 216.401; 13.422; 32.51
90; 90; 90
2793.1Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108815 CIF
HKL
Paper
C31 H39 N O3P 21 21 216.1975; 13.744; 32.378
90; 90; 90
2757.9Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108816 CIF
HKL
Paper
C31 H39 N O3P 21 21 215.9706; 13.368; 31.832
90; 90; 90
2540.7Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108817 CIF
HKL
C31 H39 N O3P 21 21 215.9793; 13.334; 31.884
90; 90; 90
2542Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108818 CIF
HKL
C31 H39 N O3P 21 21 215.9907; 13.301; 31.928
90; 90; 90
2544.1Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108819 CIF
HKL
C31 H39 N O3P 21 21 216.2884; 13.7572; 32.703
90; 90; 90
2829.2Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108820 CIF
HKL
Paper
C31 H39 N O3P 21 21 215.9414; 13.381; 31.662
90; 90; 90
2517.2Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108821 CIF
HKL
C31 H39 N O3P 21 21 215.9654; 13.321; 31.75
90; 90; 90
2523Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108822 CIF
HKL
C31 H39 N O3P 21 21 215.9717; 13.299; 31.81
90; 90; 90
2526Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108823 CIF
HKL
C31 H39 N O3P 21 21 215.9814; 13.288; 31.81
90; 90; 90
2528Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108824 CIF
HKL
C31 H39 N O3P 21 21 215.985; 13.301; 31.82
90; 90; 90
2533Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108825 CIF
HKL
C31 H39 N O3P 21 21 215.9831; 13.294; 31.84
90; 90; 90
2533Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108826 CIF
HKL
C31 H39 N O3P 21 21 215.9808; 13.293; 31.84
90; 90; 90
2531Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108827 CIF
HKL
C31 H39 N O3P 21 21 215.987; 13.257; 31.84
90; 90; 90
2527Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108828 CIF
HKL
C31 H39 N O3P 21 21 215.997; 13.267; 31.79
90; 90; 90
2529Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108829 CIF
HKL
C31 H39 N O3P 21 21 215.956; 13.3207; 31.89
90; 90; 90
2530Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108830 CIF
HKL
C12 H13 N3 OP 1 21/n 19.6282; 9.5416; 11.6064
90; 99.863; 90
1050.5Tojiboev, Akmaljon G.; Elmuradov, Burkhon Zh.; Mouhib, Halima; Turgunov, Kambarali K.; Abdurazakov, Askar Sh.; Makhmadiyarova, Charos E.; Tashkhodjaev, Bakhodir; Mirzaev, Sirojiddin Z.
Structural insight from intermolecular interactions and energy framework analyses of 2-substituted 6,7,8,9-tetrahydro-11<i>H</i>-pyrido[2,1-b]quinazolin-11-ones
Acta Crystallographica Section B, 2021, 77
2108831 CIF
HKL
C12 H11 N3 O3P 1 21/n 113.0177; 5.6433; 15.4366
90; 105.949; 90
1090.4Tojiboev, Akmaljon G.; Elmuradov, Burkhon Zh.; Mouhib, Halima; Turgunov, Kambarali K.; Abdurazakov, Askar Sh.; Makhmadiyarova, Charos E.; Tashkhodjaev, Bakhodir; Mirzaev, Sirojiddin Z.
Structural insight from intermolecular interactions and energy framework analyses of 2-substituted 6,7,8,9-tetrahydro-11<i>H</i>-pyrido[2,1-b]quinazolin-11-ones
Acta Crystallographica Section B, 2021, 77
2108832 CIF
HKL
C19 H17 N3 O2P 1 21/n 110.6548; 12.6232; 22.9326
90; 91.457; 90
3083.38Tojiboev, Akmaljon G.; Elmuradov, Burkhon Zh.; Mouhib, Halima; Turgunov, Kambarali K.; Abdurazakov, Askar Sh.; Makhmadiyarova, Charos E.; Tashkhodjaev, Bakhodir; Mirzaev, Sirojiddin Z.
Structural insight from intermolecular interactions and energy framework analyses of 2-substituted 6,7,8,9-tetrahydro-11<i>H</i>-pyrido[2,1-b]quinazolin-11-ones
Acta Crystallographica Section B, 2021, 77
2108833 CIF
HKL
C12 H28 Br2 Ca O12P 1 21 17.5022; 14.2259; 10.4517
90; 109.931; 90
1048.65Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Beccari, Fabio; Canepa, Carlo; Cariati, Elena; Cioci, Alma; Lo Presti, Leonardo
Crystal structure or chemical composition of salt‒sugar-based metal‒organic frameworks: what are the nonlinear optical properties due to?
Acta Crystallographica Section B, 2021, 77
2108834 CIF
HKL
C12 H28 Ca I2 O12P 1 21 17.6384; 14.4621; 10.749
90; 109.233; 90
1121.14Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Beccari, Fabio; Canepa, Carlo; Cariati, Elena; Cioci, Alma; Lo Presti, Leonardo
Crystal structure or chemical composition of salt‒sugar-based metal‒organic frameworks: what are the nonlinear optical properties due to?
Acta Crystallographica Section B, 2021, 77
2108835 CIF
HKL
C12 H11 I2 N SP 1 21/c 112.1709; 14.5397; 8.2078
90; 105.485; 90
1399.74Yushina, Irina; Krylov, Alexander; Leonidov, Ivan I.; Batalov, Vladimir; Chen, Yu-Sheng; Wang, Suyin Grass; Stash, Adam; Bartashevich, Ekaterina
The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides
Acta Crystallographica Section B, 2021, 77
2108836 CIF
HKL
C12 H11 I2 N SP -18.1178; 12.0928; 14.4689
88.1883; 89.472; 73.9234
1364.14Yushina, Irina; Krylov, Alexander; Leonidov, Ivan I.; Batalov, Vladimir; Chen, Yu-Sheng; Wang, Suyin Grass; Stash, Adam; Bartashevich, Ekaterina
The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides
Acta Crystallographica Section B, 2021, 77
2108837 CIF
HKL
C12 H10 Cl I2 N OC 1 2/c 113.7324; 24.4482; 8.2375
90; 96.1485; 90
2749.69Yushina, Irina; Krylov, Alexander; Leonidov, Ivan I.; Batalov, Vladimir; Chen, Yu-Sheng; Wang, Suyin Grass; Stash, Adam; Bartashevich, Ekaterina
The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides
Acta Crystallographica Section B, 2021, 77
2108838 CIF
HKL
Al0.68 Ca1.99 F0.33 H1.61 K0.2 Mg5.09 O23.67 Si7.32C 1 2/m 19.8348; 18.0035; 5.2825
90; 104.996; 90
903.47Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bosi, Ferdinando
Recommended X-ray single-crystal structure refinement and Rietveld refinement procedure for tremolite
Acta Crystallographica Section B, 2021, 77
2108839 CIF
HKL
Al0.68 Ca1.98 F0.34 H1.66 K0.265 Mg5.045 O23.66 Si7.32C 1 2/m 19.84053; 18.0234; 5.28475
90; 104.956; 90
905.55Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bosi, Ferdinando
Recommended X-ray single-crystal structure refinement and Rietveld refinement procedure for tremolite
Acta Crystallographica Section B, 2021, 77
2108840 CIF
HKL
C8 H12 Br5 Cr N4C 1 2/m 114.7; 10.319; 6.308
90; 103.685; 90
929.7Dissanayaka Mudiyanselage, Ranuri S.; Kong, Tai; Xie, Weiwei
Crystal growth and physical properties of an antiferromagnetic molecule: <i>trans</i>-dibromidotetrakis(acetonitrile)chromium(III) tribromide, [CrBr~2~(NCCH~3~)~4~](Br~3~)
Acta Crystallographica Section B, 2021, 77
2108841 CIF
HKL
Paper
H8 Mg O8 TeI 4/m m m (a+b,-a+b,c)5.3282; 5.3282; 10.3363
90; 90; 90
293.445Stöger, Berthold; Krüger, Hannes; Weil, Matthias
Mg(H~2~O)~2~[TeO~2~(OH)~4~]: a polytypic structure with a two-mode disordered stacking arrangement
Acta Crystallographica Section B, 2021, 77
2108842 CIF
HKL
H8 Mg O8 TeI 41/a m d :15.3268; 5.3268; 20.6747
90; 90; 90
586.64Stöger, Berthold; Krüger, Hannes; Weil, Matthias
Mg(H~2~O)~2~[TeO~2~(OH)~4~]: a polytypic structure with a two-mode disordered stacking arrangement
Acta Crystallographica Section B, 2021, 77
2108843 CIF
HKL
H8 Mg O8 TeI 41/a :15.3282; 5.3282; 20.6725
90; 90; 90
586.886Stöger, Berthold; Krüger, Hannes; Weil, Matthias
Mg(H~2~O)~2~[TeO~2~(OH)~4~]: a polytypic structure with a two-mode disordered stacking arrangement
Acta Crystallographica Section B, 2021, 77
2108844 CIF
HKL
H8 Mg O8 TeI -4 2 d5.3282; 5.3282; 20.6725
90; 90; 90
586.886Stöger, Berthold; Krüger, Hannes; Weil, Matthias
Mg(H~2~O)~2~[TeO~2~(OH)~4~]: a polytypic structure with a two-mode disordered stacking arrangement
Acta Crystallographica Section B, 2021, 77
2108845 CIF
HKL
Cd109.89 Mg35.29 Y24I m -315.4577; 15.4577; 15.4577
90; 90; 90
3693.47Yamada, Tsunetomo; Fujita, Nobuhisa; Labib, Farid
2/1 and 1/1 cubic approximants in the ternary <i>R</i>-Cd-Mg (<i>R</i> = Y, Er) systems
Acta Crystallographica Section B, 2021, 77
2108846 CIF
HKL
Cd432.91 Mg177.41 Y90.4P a -325.0654; 25.0654; 25.0654
90; 90; 90
15748Yamada, Tsunetomo; Fujita, Nobuhisa; Labib, Farid
2/1 and 1/1 cubic approximants in the ternary <i>R</i>-Cd-Mg (<i>R</i> = Y, Er) systems
Acta Crystallographica Section B, 2021, 77
2108847 CIF
HKL
Paper
C6 H3 Br3P 1 21/c 112.9832; 8.3806; 15.5159
90; 113.276; 90
1550.8Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej
Properties and interactions ‒ melting point of tribromobenzene isomers
Acta Crystallographica Section B, 2021, 77
2108848 CIF
HKL
Paper
C6 H3 Br3P 1 21/c 112.8999; 8.3264; 15.4925
90; 113.204; 90
1529.44Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej
Properties and interactions ‒ melting point of tribromobenzene isomers
Acta Crystallographica Section B, 2021, 77
2108849 CIF
HKL
Paper
C6 H3 Br3P 1 21/c 112.7973; 8.2623; 15.4666
90; 113.102; 90
1504.22Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej
Properties and interactions ‒ melting point of tribromobenzene isomers
Acta Crystallographica Section B, 2021, 77
2108850 CIF
HKL
Paper
C6 H3 Br3F d d 229.408; 79.439; 3.9865
90; 90; 90
9313Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej
Properties and interactions ‒ melting point of tribromobenzene isomers
Acta Crystallographica Section B, 2021, 77
2108851 CIF
HKL
Paper
C6 H3 Br3F d d 229.383; 79.163; 3.9713
90; 90; 90
9237.4Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej
Properties and interactions ‒ melting point of tribromobenzene isomers
Acta Crystallographica Section B, 2021, 77
2108852 CIF
HKL
Paper
C6 H3 Br3F d d 229.313; 78.645; 3.932
90; 90; 90
9064.5Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej
Properties and interactions ‒ melting point of tribromobenzene isomers
Acta Crystallographica Section B, 2021, 77
2108853 CIF
HKL
Paper
C6 H3 Br3P 21 21 214.06406; 13.5231; 14.1996
90; 90; 90
780.39Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej
Properties and interactions ‒ melting point of tribromobenzene isomers
Acta Crystallographica Section B, 2021, 77
2108854 CIF
HKL
Paper
C6 H3 Br3P 21 21 214.03673; 13.4739; 14.1499
90; 90; 90
769.62Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej
Properties and interactions ‒ melting point of tribromobenzene isomers
Acta Crystallographica Section B, 2021, 77
2108855 CIF
HKL
Paper
C6 H3 Br3P 21 21 214.00341; 13.4119; 14.0916
90; 90; 90
756.62Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej
Properties and interactions ‒ melting point of tribromobenzene isomers
Acta Crystallographica Section B, 2021, 77
2108856 CIF
HKL
C32 Cl16 Cu N8C 1 2/m 117.5447; 25.9863; 3.76308
90; 95.336; 90
1708.2Gorelik, Tatiana E.; Habermehl, Stefan; Shubin, Aleksandr A.; Gruene, Tim; Yoshida, Kaname; Oleynikov, Peter; Kaiser, Ute; Schmidt, Martin U.
Crystal structure of copper perchlorophthalocyanine analysed by 3D electron diffraction
Acta Crystallographica Section B, 2021, 77
2108857 CIF
HKL
Paper
C10 H12 K2 N10 O4C 1 2/c 136.522; 3.82815; 28.639
90; 129.573; 90
3086.4Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.
A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O
Acta Crystallographica Section B, 2021, 77
2108858 CIF
HKL
C10 H12 K2 N10 O4C 1 2/c 136.534; 3.84179; 28.656
90; 129.598; 90
3099.1Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.
A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O
Acta Crystallographica Section B, 2021, 77
2108859 CIF
HKL
C10 H12 K2 N10 O4C 1 2/c 136.553; 3.85466; 28.687
90; 129.646; 90
3112.3Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.
A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O
Acta Crystallographica Section B, 2021, 77
2108860 CIF
HKL
C10 H12 K2 N10 O4C 1 2/c 136.575; 3.86969; 28.723
90; 129.689; 90
3128.3Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.
A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O
Acta Crystallographica Section B, 2021, 77
2108861 CIF
HKL
C10 H12 K2 N10 O4C 1 2/c 136.591; 3.88466; 28.759
90; 129.719; 90
3144.4Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.
A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O
Acta Crystallographica Section B, 2021, 77
2108862 CIF
HKL
C5 H17 N5 Na2 O8P 1 21/c 110.529; 11.6677; 11.1762
90; 101.608; 90
1344.91Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.
A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O
Acta Crystallographica Section B, 2021, 77
2108863 CIF
HKL
C5 H17 N5 Na2 O8P 1 21/c 110.5297; 11.67487; 11.1843
90; 101.584; 90
1346.91Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.
A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O
Acta Crystallographica Section B, 2021, 77
2108864 CIF
HKL
C5 H17 N5 Na2 O8P 1 21/c 110.5318; 11.68404; 11.1931
90; 101.563; 90
1349.4Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.
A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O
Acta Crystallographica Section B, 2021, 77
2108865 CIF
HKL
C5 H17 N5 Na2 O8P 1 21/c 110.534; 11.69648; 11.2042
90; 101.545; 90
1352.55Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.
A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O
Acta Crystallographica Section B, 2021, 77
2108866 CIF
HKL
C5 H17 N5 Na2 O8P 1 21/c 110.5373; 11.70992; 11.2176
90; 101.523; 90
1356.25Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.
A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O
Acta Crystallographica Section B, 2021, 77
2108867 CIF
HKL
C5 H17 N5 Na2 O8P 1 21/c 110.5404; 11.7241; 11.2296
90; 101.504; 90
1359.84Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.
A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O
Acta Crystallographica Section B, 2021, 77
2108868 CIF
HKL
C5 H17 N5 Na2 O8P 1 21/c 110.544; 11.7396; 11.2426
90; 101.476; 90
1363.81Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.
A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O
Acta Crystallographica Section B, 2021, 77
2108869 CIF
HKL
C5 H17 N5 Na2 O8P 1 21/c 110.5488; 11.7577; 11.2563
90; 101.456; 90
1368.3Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.
A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O
Acta Crystallographica Section B, 2021, 77
2108870 CIF
HKL
C5 H17 N5 Na2 O8P 1 21/c 110.553; 11.7759; 11.2683
90; 101.41; 90
1372.65Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.
A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O
Acta Crystallographica Section B, 2021, 77
2108871 CIF
HKL
C12 H42 Bi2 Cl12 N6C 1 2/c 127.8842; 10.19431; 12.45639
90; 102.911; 90
3451.34Bujak, Maciej
Understanding distortions of inorganic substructures in chloridobismuthates(III)
Acta Crystallographica Section B, 2021, 77
2108872 CIF
HKL
C12 H42 Bi2 Cl12 N6C 1 2/c 127.5447; 10.14187; 12.38379
90; 102.906; 90
3372.08Bujak, Maciej
Understanding distortions of inorganic substructures in chloridobismuthates(III)
Acta Crystallographica Section B, 2021, 77
2108873 CIF
HKL
C4 H14 Bi Cl5 N2P 21 21 217.60312; 12.50404; 13.63023
90; 90; 90
1295.82Bujak, Maciej
Understanding distortions of inorganic substructures in chloridobismuthates(III)
Acta Crystallographica Section B, 2021, 77
2108874 CIF
HKL
C15 H42 Bi2 Cl9 N9P 1 21/n 110.57031; 29.2063; 12.04367
90; 106.634; 90
3562.52Bujak, Maciej
Understanding distortions of inorganic substructures in chloridobismuthates(III)
Acta Crystallographica Section B, 2021, 77
2108875 CIF
HKL
C5 H14 Bi Cl4 N3P -17.7179; 10.566; 18.0362
95.585; 91.008; 110.965
1364.74Bujak, Maciej
Understanding distortions of inorganic substructures in chloridobismuthates(III)
Acta Crystallographica Section B, 2021, 77
2108876 CIF
HKL
Paper
C6 H9 N3 O2P 1 21 15.1651; 7.2324; 9.4957
90; 97.065; 90
352.03Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon
Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K
Acta Crystallographica Section B, 2021, 77
2108877 CIF
HKL
C6 H9 N3 O2P 1 21 15.1656; 7.2761; 9.4978
90; 97.316; 90
354.07Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon
Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K
Acta Crystallographica Section B, 2021, 77
2108878 CIF
HKL
C6 H9 N3 O2P 1 21 15.1854; 7.3998; 9.4976
90; 98.182; 90
360.72Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon
Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K
Acta Crystallographica Section B, 2021, 77
2108879 CIF
HKL
C6 H9 N3 O2P 21 21 215.1498; 7.1902; 18.8503
90; 90; 90
697.99Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon
Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K
Acta Crystallographica Section B, 2021, 77
2108880 CIF
HKL
C6 H9 N3 O2P 21 21 215.1521; 7.2228; 18.844
90; 90; 90
701.23Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon
Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K
Acta Crystallographica Section B, 2021, 77
2108881 CIF
HKL
C6 H9 N3 O2P 21 21 215.169; 7.343; 18.8317
90; 90; 90
714.78Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon
Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K
Acta Crystallographica Section B, 2021, 77
2108882 CIF
HKL
C6 H9 N3 O2P 1 21 15.1651; 7.2324; 9.4957
90; 97.065; 90
352.03Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon
Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K
Acta Crystallographica Section B, 2021, 77
2108883 CIF
HKL
C6 H9 N3 O2P 1 21 15.1656; 7.2761; 9.4978
90; 97.316; 90
354.07Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon
Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K
Acta Crystallographica Section B, 2021, 77
2108884 CIF
HKL
C6 H9 N3 O2P 1 21 15.1854; 7.3998; 9.4976
90; 98.182; 90
360.72Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon
Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K
Acta Crystallographica Section B, 2021, 77
2108885 CIF
HKL
C6 H9 N3 O2P 21 21 215.1498; 7.1902; 18.8503
90; 90; 90
697.99Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon
Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K
Acta Crystallographica Section B, 2021, 77
2108886 CIF
HKL
C6 H9 N3 O2P 21 21 215.1521; 7.2228; 18.844
90; 90; 90
701.23Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon
Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K
Acta Crystallographica Section B, 2021, 77
2108887 CIF
HKL
C6 H9 N3 O2P 21 21 215.169; 7.343; 18.8317
90; 90; 90
714.78Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon
Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K
Acta Crystallographica Section B, 2021, 77
2108888 CIF
HKL
Paper
C58 H62 Cl2 Cu4 N12 O34P 1 21/n 115.2568; 14.5155; 15.455
90; 92.086; 90
3420.4Li, Peng; Zhang, Ting; Li, Li-Li; Dong, Wen-Kui
Self-assembling of three rare structurally various homomultinuclear Cu^II^ complexes derived from a bis(salamo)-based multioxime ligand
Acta Crystallographica Section B, 2021, 77
2108889 CIF
HKL
C62 H70 Cu4 N14 O32P 1 21/n 115.1553; 15.2135; 15.1959
90; 94.292; 90
3493.8Li, Peng; Zhang, Ting; Li, Li-Li; Dong, Wen-Kui
Self-assembling of three rare structurally various homomultinuclear Cu^II^ complexes derived from a bis(salamo)-based multioxime ligand
Acta Crystallographica Section B, 2021, 77
2108890 CIF
HKL
C30 H31 Br2 Cl3 Cu2 N6 O12C 1 c 114.333; 17.1049; 16.3502
90; 101.859; 90
3922.93Li, Peng; Zhang, Ting; Li, Li-Li; Dong, Wen-Kui
Self-assembling of three rare structurally various homomultinuclear Cu^II^ complexes derived from a bis(salamo)-based multioxime ligand
Acta Crystallographica Section B, 2021, 77
2108891 CIFC6 H12 N3 O3A m a 212.1054; 13.5537; 5.20741
90; 90; 90
854.4Gallo, Gianpiero; Terban, Maxwell W.; Moudrakovski, Igor; Huber, Tatjana; Etter, Martin; Ernst, Martin; Hinrichsen, Bernd; Dinnebier, Robert E.
A previously unknown cyclic alkanolamine and molecular ranking using the pair distribution function
Acta Crystallographica Section B, 2021, 77, 986-995
2108892 CIFC7 H8 Cl N3 O4 S2P 1 21 17.3288; 8.5032; 9.9467
90; 111.29; 90
577.558Wojnarska, Joanna; Gryl, Marlena; Seidler, Tomasz; Stadnicka, Katarzyna Marta
Investigation of polar crystalline materials containing hydrochlorothiazide: electron density distribution and optical properties
Acta Crystallographica Section B, 2021, 77, 965-973
2108893 CIF
HKL
C12 H11 N O5P c a 2113.6648; 11.9321; 12.9678
90; 90; 90
2114.4Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood
Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis
Acta Crystallographica Section B, 2021, 77, 1035-1047
2108894 CIFC12 H11 N O5P c a 2113.6648; 11.9321; 12.9678
90; 90; 90
2114.4Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood
Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis
Acta Crystallographica Section B, 2021, 77, 1035-1047
2108895 CIFC12 H11 N O5P c a 2113.6648; 11.9321; 12.9678
90; 90; 90
2114.4Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood
Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis
Acta Crystallographica Section B, 2021, 77, 1035-1047
2108896 CIF
HKL
C12 H11 N O5P c a 2113.6648; 11.9321; 12.9678
90; 90; 90
2114.4Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood
Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis
Acta Crystallographica Section B, 2021, 77, 1035-1047
2108897 CIF
HKL
C21 H29 N O2P 21 21 215.913; 15.305; 22.257
90; 90; 90
2014.2Kleemiss, Florian; Puylaert, Pim; Duvinage, Daniel; Fugel, Malte; Sugimoto, Kunihisa; Beckmann, Jens; Grabowsky, Simon
Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments
Acta Crystallographica Section B, 2021, 77, 892-905
2108898 CIF
HKL
C20 H29 N O2 SiP 21 21 216.816; 12.721; 23.613
90; 90; 90
2047.4Kleemiss, Florian; Puylaert, Pim; Duvinage, Daniel; Fugel, Malte; Sugimoto, Kunihisa; Beckmann, Jens; Grabowsky, Simon
Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments
Acta Crystallographica Section B, 2021, 77, 892-905
2108899 CIF
HKL
C19 H32 N4 O4P 21 21 219.3033; 14.8134; 29.664
90; 90; 90
4088.1Kleemiss, Florian; Puylaert, Pim; Duvinage, Daniel; Fugel, Malte; Sugimoto, Kunihisa; Beckmann, Jens; Grabowsky, Simon
Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments
Acta Crystallographica Section B, 2021, 77, 892-905
2108900 CIF
HKL
Paper
C4 H15 O15 RhC 1 2/c 116.2131; 13.0362; 6.3015
90; 99.572; 90
1313.32Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey
Oxonium <i>trans</i>-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid
Acta Crystallographica Section B, 2021, 77, 1048-1054

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