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Formula: - C7 H9 N O2 -
Comments: Rajendrakumar, 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 77(6) (2021) 946-964
Space group: P b c a
Cell volume: 2538.51
Cell parameters: 13.70079; 7.16238; 25.8688; 90; 90; 90;

COD ID: 2022889

Formula: - C19 H21 N O6 -
Comments: Rajendrakumar, 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 77(6) (2021) 946-964
Space group: P 42/n :2
Cell volume: 3471.4
Cell parameters: 22.55; 22.55; 6.8267; 90; 90; 90;

COD ID: 2022890

Formula: - C32 H36 N2 O10 -
Comments: Rajendrakumar, 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 77(6) (2021) 946-964
Space group: P 1 21 1
Cell volume: 1448.2
Cell parameters: 6.9488; 9.982; 20.881; 90; 90.927; 90;

COD ID: 2022891

Formula: - C13 H15 N O4 -
Comments: Rajendrakumar, 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 77(6) (2021) 946-964
Space group: P b c a
Cell volume: 2420.84
Cell parameters: 9.4231; 10.3938; 24.7171; 90; 90; 90;

COD ID: 2022892

Formula: - C13 H15 N O4 -
Comments: Rajendrakumar, 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 77(6) (2021) 946-964
Space group: P 1 21/c 1
Cell volume: 1205
Cell parameters: 12.867; 9.55; 10.487; 90; 110.761; 90;

COD ID: 2022893

Formula: - C10 H12 N O3 -
Comments: Rajendrakumar, 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 77(6) (2021) 946-964
Space group: P -1
Cell volume: 444.659
Cell parameters: 6.83171; 7.09634; 10.01294; 72.4243; 85.7351; 73.9285;

COD ID: 2022894

Formula: - C20 H24 N2 O6 -
Comments: Rajendrakumar, 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 77(6) (2021) 946-964
Space group: P 1 21/n 1
Cell volume: 1863.04
Cell parameters: 11.71471; 7.32566; 22.0867; 90; 100.608; 90;

COD ID: 2022895

Formula: - C13 H15 N O4 -
Comments: Rajendrakumar, 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 77(6) (2021) 946-964
Space group: P 1 21/n 1
Cell volume: 1184.21
Cell parameters: 7.13393; 18.2199; 9.1517; 90; 95.4213; 90;

COD ID: 2022896

Formula: - C20 H24 N2 O7 -
Comments: Rajendrakumar, 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 77(6) (2021) 946-964
Space group: P b c a
Cell volume: 3729.31
Cell parameters: 6.9983; 18.4416; 28.896; 90; 90; 90;

COD ID: 2022897

Formula: - C20 H28 N2 O9 -
Comments: Rajendrakumar, 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 77(6) (2021) 946-964
Space group: P -1
Cell volume: 1046.4
Cell parameters: 7.9892; 10.197; 12.876; 91.088; 93.874; 90.209;

COD ID: 2022898

Formula: - C19 H21 N O8 -
Comments: Rajendrakumar, 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 77(6) (2021) 946-964
Space group: C 1 2/c 1
Cell volume: 3633.13
Cell parameters: 28.0626; 9.2719; 14.6075; 90; 107.081; 90;

COD ID: 2022899

Formula: - C19 H21 N O8 -
Comments: Rajendrakumar, 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 77(6) (2021) 946-964
Space group: P n a 21
Cell volume: 3641
Cell parameters: 14.592; 9.3121; 26.795; 90; 90; 90;

COD ID: 2022900

Formula: - B3 Ca H7 O9 -
Comments: Comboni, 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 77(6) (2021) 940-945
Space group: P -1
Cell volume: 350.76
Cell parameters: 6.639; 8.3489; 6.4786; 90.77; 101.94; 86.747;

COD ID: 2022901

Formula: - B3 Ca H7 O9 -
Comments: Comboni, 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 77(6) (2021) 940-945
Space group: P -1
Cell volume: 336.68
Cell parameters: 6.55; 8.2005; 6.4337; 90.367; 102.63; 86.784;

COD ID: 2022902

Formula: - B3 Ca H7 O9 -
Comments: Comboni, 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 77(6) (2021) 940-945
Space group: P -1
Cell volume: 324.82
Cell parameters: 6.478; 8.0733; 6.3923; 89.972; 103.3; 86.857;

COD ID: 2022903

Formula: - B3 Ca H7 O9 -
Comments: Comboni, 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 77(6) (2021) 940-945
Space group: P -1
Cell volume: 323.3
Cell parameters: 6.465; 8.059; 6.388; 89.922; 103.38; 86.859;

COD ID: 2022904

Formula: - B3 Ca H7 O9 -
Comments: Comboni, 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 77(6) (2021) 940-945
Space group: P -1
Cell volume: 291.36
Cell parameters: 6.124; 7.6014; 6.8051; 97.548; 107.416; 100.462;

COD ID: 2022905

Formula: - B3 Ca H7 O9 -
Comments: Comboni, 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 77(6) (2021) 940-945
Space group: P -1
Cell volume: 286.68
Cell parameters: 6.095; 7.559; 6.7696; 97.576; 107.579; 100.34;

COD ID: 2022906

Formula: - B3 Ca H7 O9 -
Comments: Comboni, 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 77(6) (2021) 940-945
Space group: P -1
Cell volume: 282.75
Cell parameters: 6.071; 7.5224; 6.7393; 97.606; 107.703; 100.254;

COD ID: 2022907

Formula: - B3 Ca H7 O9 -
Comments: Comboni, 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 77(6) (2021) 940-945
Space group: P -1
Cell volume: 279.42
Cell parameters: 6.05; 7.4908; 6.7136; 97.629; 107.773; 100.211;

COD ID: 2108735

Formula: - Ag3.06 O12 P3 Sc2 -
Comments: Redhammer, 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 77(1) (2021) 10-22
Space group: C 1 2/c 1
Cell volume: 1046.2
Cell parameters: 15.467; 8.9627; 9.1186; 90; 124.144; 90;

COD ID: 2108736

Formula: - Ag3.03 O12 P2 Sc2 -
Comments: Redhammer, 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 77(1) (2021) 10-22
Space group: C 1 2/c 1
Cell volume: 3145.95
Cell parameters: 15.5374; 8.9703; 22.5718; 90; 89.9984; 90;

COD ID: 2108737

Formula: - Ag3.05 O12 P3 Sc2 -
Comments: Redhammer, 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 77(1) (2021) 10-22
Space group: R -3 c :H
Cell volume: 1578.49
Cell parameters: 8.9756; 8.9756; 22.6248; 90; 90; 120;

COD ID: 2108738

Formula: - Ag3.02 O12 P3 Sc2 -
Comments: Redhammer, 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 77(1) (2021) 10-22
Space group: R -3 c :H
Cell volume: 1585.1
Cell parameters: 8.9671; 8.9671; 22.7622; 90; 90; 120;

COD ID: 2108739

Formula: - C18 H10 Cl2 O2 S2 -
Comments: Sakthidharan, 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 77(1) (2021) 23-30
Space group: P 1 21/c 1
Cell volume: 750.82
Cell parameters: 4.6455; 15.9427; 10.1908; 90; 95.846; 90;

COD ID: 2108740

Formula: - C18 H10 Cl2 O2 S2 -
Comments: Sakthidharan, 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 77(1) (2021) 23-30
Space group: P -1
Cell volume: 380.91
Cell parameters: 3.8612; 8.8249; 11.2319; 94.972; 92.244; 90.968;

COD ID: 2108741

Formula: - C32 H27 F3 N4 O3 -
Comments: Schneider-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 77(1) (2021) 54-67
Space group: P -1
Cell volume: 1398.3
Cell parameters: 5.2419; 15.0825; 18.4638; 103.874; 93.756; 97.404;

COD ID: 2108742

Formula: - C7.5 H10 N3 O4 -
Comments: Ławniczak, 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 77(1) (2021) 31-40
Space group: P -1
Cell volume: 466.94
Cell parameters: 6.905; 8.394; 9.339; 117.56; 102.07; 89.39;

COD ID: 2108743
CIF file HKL data	Formula: - C7.5 H10 N3 O4 - Comments: Ławniczak, 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 77(1) (2021) 31-40 Space group: P -1 Cell volume: 472.3 Cell parameters: 6.999; 8.378; 9.249; 116.22; 101.88; 91.18;

COD ID: 2108744
CIF file HKL data	Formula: - C7.5 H10 N3 O4 - Comments: Ławniczak, 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 77(1) (2021) 31-40 Space group: P -1 Cell volume: 471.3 Cell parameters: 6.98; 8.4; 9.23; 116.4; 101.57; 91.09;

COD ID: 2108745
CIF file HKL data	Formula: - C7.5 H10 N3 O4 - Comments: Ławniczak, 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 77(1) (2021) 31-40 Space group: P -1 Cell volume: 484.3 Cell parameters: 7.295; 8.28; 9.249; 115.79; 103.12; 91.91;

COD ID: 2108746

Formula: - C30 H36 Co Mo8 N7 O30 -
Comments: Atencio, 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 77(1) (2021) 99-114
Space group: P 1 21/c 1
Cell volume: 4831.5
Cell parameters: 19.27; 10.993; 23.917; 90; 107.517; 90;

COD ID: 2108747

Formula: - C60 H72 Co2 Mo12 N12 O51 -
Comments: Atencio, 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 77(1) (2021) 99-114
Space group: P 1 21/n 1
Cell volume: 9132
Cell parameters: 11.151; 21.972; 37.57; 90; 97.218; 90;

COD ID: 2108748

Formula: - C20 H16 Co Mo4 N4 O13 -
Comments: Atencio, 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 77(1) (2021) 99-114
Space group: P 1 21/n 1
Cell volume: 2557.9
Cell parameters: 10.053; 16.408; 15.749; 90; 100.06; 90;

COD ID: 2108749

Formula: - C2 H5 Na O -
Comments: Beske, 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 77(1) (2021)
Space group: P -4 21 m
Cell volume: 176.418
Cell parameters: 4.41084; 4.41084; 9.06779; 90; 90; 90;

COD ID: 2108750

Formula: - C6 H17 Na O3 -
Comments: Beske, 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 77(1) (2021)
Space group: P 1 21/n 1
Cell volume: 1035
Cell parameters: 11.622; 5.1926; 17.682; 90; 104.08; 90;

COD ID: 2108751

Formula: - C3 H7 Na O -
Comments: Beske, 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 77(1) (2021)
Space group: P 4/n m m :2
Cell volume: 233.425
Cell parameters: 4.38439; 4.38439; 12.1431; 90; 90; 90;

COD ID: 2108752

Formula: - C4 H9 Na O -
Comments: Beske, 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 77(1) (2021)
Space group: P 4/n m m :2
Cell volume: 275.317
Cell parameters: 4.43232; 4.43232; 14.0143; 90; 90; 90;

COD ID: 2108753

Formula: - C5 H11 Na O -
Comments: Beske, 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 77(1) (2021)
Space group: P 4/n m m :2
Cell volume: 329.17
Cell parameters: 4.4084; 4.4084; 16.9376; 90; 90; 90;

COD ID: 2108754

Formula: - C18 H47 Na O6 -
Comments: Beske, 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 77(1) (2021)
Space group: C 1 2/c 1
Cell volume: 5376.8
Cell parameters: 21.2073; 17.1307; 17.825; 90; 123.871; 90;

COD ID: 2108755

Formula: - C9 H23 Na O3 -
Comments: Beske, 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 77(1) (2021)
Space group: C 1 2/c 1
Cell volume: 2708.7
Cell parameters: 23.745; 5.075; 24.174; 90; 111.589; 90;

COD ID: 2108756

Formula: - C10 H23 Na O2 -
Comments: Beske, 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 77(1) (2021)
Space group: P 1 21/c 1
Cell volume: 1225.18
Cell parameters: 10.126; 6.0299; 20.6944; 90; 104.16; 90;

COD ID: 2108757

Formula: - C10 H11 N O3 -
Comments: Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof HAR, TAAM and BODD refinements of model crystal structures using Cu~Kα and Mo~Kα X-ray diffraction data Acta Crystallographica Section B 77(1) (2021)
Space group: P 1 21/c 1
Cell volume: 908.15
Cell parameters: 8.6896; 10.891; 9.596; 90; 90.075; 90;

COD ID: 2108758

Formula: - C5 H12 O5 -
Comments: Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof HAR, TAAM and BODD refinements of model crystal structures using Cu~Kα and Mo~Kα X-ray diffraction data Acta Crystallographica Section B 77(1) (2021)
Space group: P 21 21 21
Cell volume: 656.88
Cell parameters: 8.2707; 8.9022; 8.9217; 90; 90; 90;

COD ID: 2108759

Formula: - C5 H6 N2 O2 -
Comments: Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof HAR, TAAM and BODD refinements of model crystal structures using Cu~Kα and Mo~Kα X-ray diffraction data Acta Crystallographica Section B 77(1) (2021)
Space group: I b a m
Cell volume: 1081.25
Cell parameters: 13.17921; 13.20059; 6.21502; 90; 90; 90;

COD ID: 2108760

Formula: - C5 H6 N2 O2 -
Comments: Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof HAR, TAAM and BODD refinements of model crystal structures using Cu~Kα and Mo~Kα X-ray diffraction data Acta Crystallographica Section B 77(1) (2021)
Space group: I b a m
Cell volume: 1077.22
Cell parameters: 13.1643; 13.184; 6.2067; 90; 90; 90;

COD ID: 2108761

Formula: - C10 H11 N O3 -
Comments: Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof HAR, TAAM and BODD refinements of model crystal structures using Cu~Kα and Mo~Kα X-ray diffraction data Acta Crystallographica Section B 77(1) (2021)
Space group: P 1 21/c 1
Cell volume: 908.94
Cell parameters: 8.6809; 10.8826; 9.6214; 90; 90.15; 90;

COD ID: 2108762

Formula: - C16 H26 O6 -
Comments: Savic, Viktor; Eder, Felix; Göb, Christian; Mihovilovic, Marko D.; Stanetty, Christian; Stöger, Berthold The role of hydrogen bonding in the incommensurate modulation of myo-inositol camphor ketal Acta Crystallographica Section B 77(1) (2021)
Space group: C 1 2 1
Cell volume: 1514.31
Cell parameters: 12.5887; 6.9; 18.2523; 90; 107.227; 90;

COD ID: 2108763

Formula: - La3 Li6.27 O12 Ta1.09 Zr0.91 -
Comments: Redhammer, 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 in situ temperature-dependence investigation (2.5 {łeq} T {łeq} 873K) Acta Crystallographica Section B 77(1) (2021) 123-130
Space group: I a -3 d
Cell volume: 2122.37
Cell parameters: 12.8511; 12.8511; 12.8511; 90; 90; 90;

COD ID: 2108764

Formula: - La3 Li6.27 O12 Ta1.09 Zr0.91 -
Comments: Redhammer, 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 in situ temperature-dependence investigation (2.5 {łeq} T {łeq} 873K) Acta Crystallographica Section B 77(1) (2021) 123-130
Space group: I a -3 d
Cell volume: 2126.38
Cell parameters: 12.8592; 12.8592; 12.8592; 90; 90; 90;

COD ID: 2108765

Formula: - La3 Li6.27 O12 Ta1.09 Zr0.91 -
Comments: Redhammer, 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 in situ temperature-dependence investigation (2.5 {łeq} T {łeq} 873K) Acta Crystallographica Section B 77(1) (2021) 123-130
Space group: I a -3 d
Cell volume: 2135.48
Cell parameters: 12.8775; 12.8775; 12.8775; 90; 90; 90;

COD ID: 2108766

Formula: - La3 Li6.27 O12 Ta1.09 Zr0.91 -
Comments: Redhammer, 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 in situ temperature-dependence investigation (2.5 {łeq} T {łeq} 873K) Acta Crystallographica Section B 77(1) (2021) 123-130
Space group: I a -3 d
Cell volume: 2149.24
Cell parameters: 12.9051; 12.9051; 12.9051; 90; 90; 90;

COD ID: 2108767
CIF file HKL data	Formula: - C14 H6 N6 O12 - Comments: Liu, 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 77(1) (2021) Space group: C 1 2/c 1 Cell volume: 3296.17 Cell parameters: 21.221; 10.308; 19.4134; 90; 129.087; 90;

COD ID: 2108768

Formula: - C34 H32 N8 Ni2 O8 S2 -
Comments: Feng, 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 77(1) (2021) 168-181
Space group: P 1 21/c 1
Cell volume: 1815.84
Cell parameters: 9.9403; 11.5796; 16.0806; 90; 101.178; 90;

COD ID: 2108769

Formula: - C32 H32 N12 Ni2 O8 -
Comments: Feng, 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 77(1) (2021) 168-181
Space group: P 1 21/n 1
Cell volume: 1714.2
Cell parameters: 11.6387; 10.0171; 14.794; 90; 96.348; 90;

COD ID: 2108770

Formula: - C18 H16 N6 Ni O4 -
Comments: Feng, 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 77(1) (2021) 168-181
Space group: P 1 21/n 1
Cell volume: 1822.6
Cell parameters: 9.5255; 17.0181; 11.2611; 90; 93.25; 90;

COD ID: 2108771

Formula: - Cu2 Ge Se3 -
Comments: Dugarte-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 77(1) (2021) 158-167
Space group: C 1 c 1
Cell volume: 515.62
Cell parameters: 6.7703; 11.8624; 6.7705; 90; 108.512; 90;

COD ID: 2108772

Formula: - C5 H12 O5 -
Comments: Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B 77(2) (2021)
Space group: P 21 21 21
Cell volume: 667.69
Cell parameters: 8.2993; 8.9697; 8.9693; 90; 90; 90;

COD ID: 2108773
CIF file HKL data	Formula: - C5 H12 O5 - Comments: Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B 77(2) (2021) Space group: P 21 21 21 Cell volume: 653.83 Cell parameters: 8.2694; 8.9403; 8.8438; 90; 90; 90;

COD ID: 2108774
CIF file HKL data	Formula: - C5 H12 O5 - Comments: Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B 77(2) (2021) Space group: P 21 21 21 Cell volume: 641.8 Cell parameters: 8.2305; 8.8992; 8.7624; 90; 90; 90;

COD ID: 2108775
CIF file HKL data	Formula: - C5 H12 O5 - Comments: Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B 77(2) (2021) Space group: P 21 21 21 Cell volume: 637.13 Cell parameters: 8.2213; 8.883; 8.7242; 90; 90; 90;

COD ID: 2108776
CIF file HKL data	Formula: - C5 H12 O5 - Comments: Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B 77(2) (2021) Space group: P 21 21 21 Cell volume: 630.6 Cell parameters: 8.204; 8.854; 8.6809; 90; 90; 90;

COD ID: 2108777
CIF file HKL data	Formula: - C5 H12 O5 - Comments: Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B 77(2) (2021) Space group: P 21 21 21 Cell volume: 614.04 Cell parameters: 8.154; 8.7964; 8.561; 90; 90; 90;

COD ID: 2108778
CIF file HKL data	Formula: - C5 H12 O5 - Comments: Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B 77(2) (2021) Space group: P 21 21 21 Cell volume: 600.3 Cell parameters: 8.105; 8.752; 8.462; 90; 90; 90;

COD ID: 2108779
CIF file HKL data	Formula: - C5 H12 O5 - Comments: Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B 77(2) (2021) Space group: P 21 21 21 Cell volume: 586.9 Cell parameters: 8.0845; 8.67; 8.3725; 90; 90; 90;

COD ID: 2108780
CIF file HKL data	Formula: - C5 H12 O5 - Comments: Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B 77(2) (2021) Space group: P 21 21 21 Cell volume: 580 Cell parameters: 8.0696; 8.65; 8.309; 90; 90; 90;

COD ID: 2108781
CIF file HKL data	Formula: - C5 H12 O5 - Comments: Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B 77(2) (2021) Space group: P 21 21 21 Cell volume: 571 Cell parameters: 8.0108; 8.627; 8.263; 90; 90; 90;

COD ID: 2108782
CIF file HKL data	Formula: - C5 H12 O5 - Comments: Safari, Fatemeh; Katrusiak, Andrzej Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol Acta Crystallographica Section B 77(2) (2021) Space group: P 21 21 21 Cell volume: 561.9 Cell parameters: 7.9846; 8.6043; 8.179; 90; 90; 90;

COD ID: 2108783

Formula: - C14 H16 N2 O8 Zn -
Comments: May, 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 77(2) (2021)
Space group: P -1
Cell volume: 370.76
Cell parameters: 7.2924; 7.445; 8.0936; 97.966; 103.385; 115.659;

COD ID: 2108784

Formula: - C16 H18 N2 O7 Zn -
Comments: May, 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 77(2) (2021)
Space group: P -1
Cell volume: 808.01
Cell parameters: 8.2959; 10.1989; 10.3466; 70.187; 82.585; 79.659;

COD ID: 2108785

Formula: - C16 H22 N2 O9 Zn -
Comments: May, 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 77(2) (2021)
Space group: C 1 2/c 1
Cell volume: 1782.94
Cell parameters: 10.8962; 10.3334; 16.6916; 90; 108.435; 90;

COD ID: 2108786

Formula: - C28 H36 N4 O18 Zn2 -
Comments: May, 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 77(2) (2021)
Space group: P -1
Cell volume: 807.32
Cell parameters: 7.9237; 8.574; 12.3954; 84.248; 74.706; 85.908;

COD ID: 2108787

Formula: - C72 H52 Fe2 N22 O2 -
Comments: Cvrtila, Ivica; Stilinović, Vladimir Polymorphs of phenazine hexacyanoferrate(II) hydrate: supramolecular isomerism in a 2D hydrogen-bonded network Acta Crystallographica Section B 77(2) (2021)
Space group: P 1 21/c 1
Cell volume: 6464.7
Cell parameters: 18.1614; 22.1885; 17.1716; 90; 110.894; 90;

COD ID: 2108788

Formula: - C72 H52 Fe2 N22 O2 -
Comments: Cvrtila, Ivica; Stilinović, Vladimir Polymorphs of phenazine hexacyanoferrate(II) hydrate: supramolecular isomerism in a 2D hydrogen-bonded network Acta Crystallographica Section B 77(2) (2021)
Space group: P -1
Cell volume: 3187.7
Cell parameters: 14.2252; 16.1364; 16.2813; 89.859; 67.664; 68.977;

COD ID: 2108789

Formula: - Al3 Na6 O20 P5 -
Comments: Yakubovich, 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 77(2) (2021)
Space group: C 1 2/c 1
Cell volume: 6462
Cell parameters: 18.631; 37.41; 9.272; 90; 90.063; 90;

COD ID: 2108790
CIF file HKL data	Formula: - C3 H17 Al N2 O14 S2 - Comments: Zarychta, 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 77(2) (2021) Space group: P 1 2/a 1 Cell volume: 741.07 Cell parameters: 12.0026; 6.7859; 9.1005; 90; 88.835; 90;

COD ID: 2108791
CIF file HKL data	Formula: - C3 H17 Al N2 O14 S2 - Comments: Zarychta, 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 77(2) (2021) Space group: P -3 m 1 Cell volume: 374.72 Cell parameters: 6.8748; 6.8748; 9.155; 90; 90; 120;

COD ID: 2108792
CIF file HKL data	Formula: - C3 H17 Al N2 O14 S2 - Comments: Zarychta, 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 77(2) (2021) Space group: P -3 m 1 Cell volume: 374.25 Cell parameters: 6.868; 6.868; 9.1617; 90; 90; 120;

COD ID: 2108793

Formula: - C16 H19 N3 O2 -
Comments: Meenatchi, 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 77(2) (2021)
Space group: P 21 21 21
Cell volume: 1579.86
Cell parameters: 7.7498; 11.794; 17.2849; 90; 90; 90;

COD ID: 2108794

Formula: - C12 H14 Cu N5 O3 S -
Comments: Kowalska, 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 77(2) (2021)
Space group: P 21 21 21
Cell volume: 1476.2
Cell parameters: 7.905; 12.723; 14.678; 90; 90; 90;

COD ID: 2108795

Formula: - Ba0.08 Ca0.16 Fe0.38 K0.36 Mg0.1 Mn0.18 Na2.77 O18 Si4 Sr1.45 Ti2.52 -
Comments: Aksenov, 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 77(2) (2021)
Space group: C 1 2/m 1
Cell volume: 737.49
Cell parameters: 19.405; 7.0885; 5.3988; 90; 96.739; 90;

COD ID: 2108796

Formula: - Ba0.87 Ca0.17 Fe0.36 K0.45 Mg0.08 Mn0.24 Na2.46 O18 Si4 Sr0.51 Ti2.86 -
Comments: Aksenov, 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 77(2) (2021)
Space group: C 1 2/m 1
Cell volume: 754.43
Cell parameters: 19.769; 7.1076; 5.4065; 90; 96.731; 90;

COD ID: 2108797

Formula: - Ba0 Ca0.15 Fe0.13 K0.09 Mg0.05 Mn0.35 Na2.8 O18 Si4 Sr1.5 Ti2.82 -
Comments: Aksenov, 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 77(2) (2021)
Space group: C 1 2/m 1
Cell volume: 728.75
Cell parameters: 19.2231; 7.0832; 5.3907; 90; 96.859; 90;

COD ID: 2108798

Formula: - Ba1.15 Ca0.17 Fe0.53 K0.41 Mg0.12 Mn0.12 Na2.7 O18 Si4 Sr0.27 Ti2.53 -
Comments: Aksenov, 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 77(2) (2021)
Space group: C 1 2/m 1
Cell volume: 757.52
Cell parameters: 19.8574; 7.1034; 5.4063; 90; 96.611; 90;

COD ID: 2108799

Formula: - Ba0.05 Ca0.09 Fe0.46 K0.1 Mg0.17 Mn0.17 Na3.1 O18 Si4 Sr1.4 Ti2.43 -
Comments: Aksenov, 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 77(2) (2021)
Space group: C 1 2/m 1
Cell volume: 726.39
Cell parameters: 19.2616; 7.0663; 5.3735; 90; 96.698; 90;

COD ID: 2108800

Formula: - C15 H10 F I O -
Comments: Hamilton, 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 77(3) (2021)
Space group: P 1 21/c 1
Cell volume: 1321.89
Cell parameters: 22.9802; 4.7448; 12.2026; 90; 96.534; 90;

COD ID: 2108801

Formula: - C15 H10 F I O -
Comments: Hamilton, 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 77(3) (2021)
Space group: P -1
Cell volume: 1288.32
Cell parameters: 6.12; 10.7976; 20.3875; 103.101; 95.16; 98.186;

COD ID: 2108802

Formula: - C15 H10 I N O3 -
Comments: Hamilton, 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 77(3) (2021)
Space group: P 1 21/c 1
Cell volume: 2675.9
Cell parameters: 17.9016; 5.8824; 25.4871; 90; 94.427; 90;

COD ID: 2108803

Formula: - As0.201 H10 O21 P0.799 Pb2 U3 -
Comments: Plášil, 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 77(3) (2021)
Space group: P 1 21/m 1
Cell volume: 930.18
Cell parameters: 7.0258; 17.1769; 8.1463; 90; 108.886; 90;

COD ID: 2108804

Formula: - As0.195 O21 P0.805 Pb2 U3 -
Comments: Plášil, 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 77(3) (2021)
Space group: P 1 21/m 1
Cell volume: 925.29
Cell parameters: 7.0189; 17.137; 8.131; 90; 108.9; 90;

COD ID: 2108805

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2800.8
Cell parameters: 6.2484; 13.7976; 32.4874; 90; 90; 90;

COD ID: 2108806

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2800.6
Cell parameters: 6.2711; 13.7242; 32.5405; 90; 90; 90;

COD ID: 2108807

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2806.9
Cell parameters: 6.2975; 13.6726; 32.5998; 90; 90; 90;

COD ID: 2108808

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2807.2
Cell parameters: 6.3387; 13.5668; 32.6429; 90; 90; 90;

COD ID: 2108809

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2814.2
Cell parameters: 6.3595; 13.5442; 32.6718; 90; 90; 90;

COD ID: 2108810

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2811.3
Cell parameters: 6.3663; 13.5168; 32.6694; 90; 90; 90;

COD ID: 2108811

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2806.8
Cell parameters: 6.3696; 13.4941; 32.6553; 90; 90; 90;

COD ID: 2108812

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2814.4
Cell parameters: 6.3861; 13.4799; 32.6933; 90; 90; 90;

COD ID: 2108813

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2808.4
Cell parameters: 6.392; 13.4462; 32.676; 90; 90; 90;

COD ID: 2108814

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2793.1
Cell parameters: 6.401; 13.422; 32.51; 90; 90; 90;

COD ID: 2108815

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2757.9
Cell parameters: 6.1975; 13.744; 32.378; 90; 90; 90;

COD ID: 2108816

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2540.7
Cell parameters: 5.9706; 13.368; 31.832; 90; 90; 90;

COD ID: 2108817

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2542
Cell parameters: 5.9793; 13.334; 31.884; 90; 90; 90;

COD ID: 2108818

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2544.1
Cell parameters: 5.9907; 13.301; 31.928; 90; 90; 90;

COD ID: 2108819

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2829.2
Cell parameters: 6.2884; 13.7572; 32.703; 90; 90; 90;

COD ID: 2108820

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2517.2
Cell parameters: 5.9414; 13.381; 31.662; 90; 90; 90;

COD ID: 2108821

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2523
Cell parameters: 5.9654; 13.321; 31.75; 90; 90; 90;

COD ID: 2108822

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2526
Cell parameters: 5.9717; 13.299; 31.81; 90; 90; 90;

COD ID: 2108823

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2528
Cell parameters: 5.9814; 13.288; 31.81; 90; 90; 90;

COD ID: 2108824

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2533
Cell parameters: 5.985; 13.301; 31.82; 90; 90; 90;

COD ID: 2108825

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2533
Cell parameters: 5.9831; 13.294; 31.84; 90; 90; 90;

COD ID: 2108826

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2531
Cell parameters: 5.9808; 13.293; 31.84; 90; 90; 90;

COD ID: 2108827

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2527
Cell parameters: 5.987; 13.257; 31.84; 90; 90; 90;

COD ID: 2108828

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2529
Cell parameters: 5.997; 13.267; 31.79; 90; 90; 90;

COD ID: 2108829

Formula: - C31 H39 N O3 -
Comments: Konieczny, 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 77(3) (2021)
Space group: P 21 21 21
Cell volume: 2530
Cell parameters: 5.956; 13.3207; 31.89; 90; 90; 90;

COD ID: 2108830

Formula: - C12 H13 N3 O -
Comments: Tojiboev, 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-11H-pyrido[2,1-b]quinazolin-11-ones Acta Crystallographica Section B 77(3) (2021)
Space group: P 1 21/n 1
Cell volume: 1050.5
Cell parameters: 9.6282; 9.5416; 11.6064; 90; 99.863; 90;

COD ID: 2108831

Formula: - C12 H11 N3 O3 -
Comments: Tojiboev, 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-11H-pyrido[2,1-b]quinazolin-11-ones Acta Crystallographica Section B 77(3) (2021)
Space group: P 1 21/n 1
Cell volume: 1090.4
Cell parameters: 13.0177; 5.6433; 15.4366; 90; 105.949; 90;

COD ID: 2108832

Formula: - C19 H17 N3 O2 -
Comments: Tojiboev, 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-11H-pyrido[2,1-b]quinazolin-11-ones Acta Crystallographica Section B 77(3) (2021)
Space group: P 1 21/n 1
Cell volume: 3083.38
Cell parameters: 10.6548; 12.6232; 22.9326; 90; 91.457; 90;

COD ID: 2108833

Formula: - C12 H28 Br2 Ca O12 -
Comments: Marabello, 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 77(4) (2021)
Space group: P 1 21 1
Cell volume: 1048.65
Cell parameters: 7.5022; 14.2259; 10.4517; 90; 109.931; 90;

COD ID: 2108834

Formula: - C12 H28 Ca I2 O12 -
Comments: Marabello, 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 77(4) (2021)
Space group: P 1 21 1
Cell volume: 1121.14
Cell parameters: 7.6384; 14.4621; 10.749; 90; 109.233; 90;

COD ID: 2108835

Formula: - C12 H11 I2 N S -
Comments: Yushina, 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 77(4) (2021)
Space group: P 1 21/c 1
Cell volume: 1399.74
Cell parameters: 12.1709; 14.5397; 8.2078; 90; 105.485; 90;

COD ID: 2108836

Formula: - C12 H11 I2 N S -
Comments: Yushina, 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 77(4) (2021)
Space group: P -1
Cell volume: 1364.14
Cell parameters: 8.1178; 12.0928; 14.4689; 88.1883; 89.472; 73.9234;

COD ID: 2108837

Formula: - C12 H10 Cl I2 N O -
Comments: Yushina, 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 77(4) (2021)
Space group: C 1 2/c 1
Cell volume: 2749.69
Cell parameters: 13.7324; 24.4482; 8.2375; 90; 96.1485; 90;

COD ID: 2108838

Formula: - Al0.68 Ca1.99 F0.33 H1.61 K0.2 Mg5.09 O23.67 Si7.32 -
Comments: Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bosi, Ferdinando Recommended X-ray single-crystal structure refinement and Rietveld refinement procedure for tremolite Acta Crystallographica Section B 77(4) (2021)
Space group: C 1 2/m 1
Cell volume: 903.47
Cell parameters: 9.8348; 18.0035; 5.2825; 90; 104.996; 90;

COD ID: 2108839

Formula: - Al0.68 Ca1.98 F0.34 H1.66 K0.265 Mg5.045 O23.66 Si7.32 -
Comments: Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bosi, Ferdinando Recommended X-ray single-crystal structure refinement and Rietveld refinement procedure for tremolite Acta Crystallographica Section B 77(4) (2021)
Space group: C 1 2/m 1
Cell volume: 905.55
Cell parameters: 9.84053; 18.0234; 5.28475; 90; 104.956; 90;

COD ID: 2108840

Formula: - C8 H12 Br5 Cr N4 -
Comments: Dissanayaka Mudiyanselage, Ranuri S.; Kong, Tai; Xie, Weiwei Crystal growth and physical properties of an antiferromagnetic molecule: trans-dibromidotetrakis(acetonitrile)chromium(III) tribromide, [CrBr~2~(NCCH~3~)~4~](Br~3~) Acta Crystallographica Section B 77(4) (2021)
Space group: C 1 2/m 1
Cell volume: 929.7
Cell parameters: 14.7; 10.319; 6.308; 90; 103.685; 90;

COD ID: 2108841

Formula: - H8 Mg O8 Te -
Comments: Stöger, 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 77(4) (2021)
Space group: I 4/m m m (a+b,-a+b,c)
Cell volume: 293.445
Cell parameters: 5.3282; 5.3282; 10.3363; 90; 90; 90;

COD ID: 2108842
CIF file HKL data	Formula: - H8 Mg O8 Te - Comments: Stöger, 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 77(4) (2021) Space group: I 41/a m d :1 Cell volume: 586.64 Cell parameters: 5.3268; 5.3268; 20.6747; 90; 90; 90;

COD ID: 2108843
CIF file HKL data	Formula: - H8 Mg O8 Te - Comments: Stöger, 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 77(4) (2021) Space group: I 41/a :1 Cell volume: 586.886 Cell parameters: 5.3282; 5.3282; 20.6725; 90; 90; 90;

COD ID: 2108844
CIF file HKL data	Formula: - H8 Mg O8 Te - Comments: Stöger, 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 77(4) (2021) Space group: I -4 2 d Cell volume: 586.886 Cell parameters: 5.3282; 5.3282; 20.6725; 90; 90; 90;

COD ID: 2108845
CIF file HKL data	Formula: - Cd109.89 Mg35.29 Y24 - Comments: Yamada, 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 77(4) (2021) Space group: I m -3 Cell volume: 3693.47 Cell parameters: 15.4577; 15.4577; 15.4577; 90; 90; 90;

COD ID: 2108846
CIF file HKL data	Formula: - Cd432.91 Mg177.41 Y90.4 - Comments: Yamada, 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 77(4) (2021) Space group: P a -3 Cell volume: 15748 Cell parameters: 25.0654; 25.0654; 25.0654; 90; 90; 90;

COD ID: 2108847

Formula: - C6 H3 Br3 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B 77(4) (2021)
Space group: P 1 21/c 1
Cell volume: 1550.8
Cell parameters: 12.9832; 8.3806; 15.5159; 90; 113.276; 90;

COD ID: 2108848

Formula: - C6 H3 Br3 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B 77(4) (2021)
Space group: P 1 21/c 1
Cell volume: 1529.44
Cell parameters: 12.8999; 8.3264; 15.4925; 90; 113.204; 90;

COD ID: 2108849

Formula: - C6 H3 Br3 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B 77(4) (2021)
Space group: P 1 21/c 1
Cell volume: 1504.22
Cell parameters: 12.7973; 8.2623; 15.4666; 90; 113.102; 90;

COD ID: 2108850

Formula: - C6 H3 Br3 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B 77(4) (2021)
Space group: F d d 2
Cell volume: 9313
Cell parameters: 29.408; 79.439; 3.9865; 90; 90; 90;

COD ID: 2108851

Formula: - C6 H3 Br3 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B 77(4) (2021)
Space group: F d d 2
Cell volume: 9237.4
Cell parameters: 29.383; 79.163; 3.9713; 90; 90; 90;

COD ID: 2108852

Formula: - C6 H3 Br3 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B 77(4) (2021)
Space group: F d d 2
Cell volume: 9064.5
Cell parameters: 29.313; 78.645; 3.932; 90; 90; 90;

COD ID: 2108853

Formula: - C6 H3 Br3 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B 77(4) (2021)
Space group: P 21 21 21
Cell volume: 780.39
Cell parameters: 4.06406; 13.5231; 14.1996; 90; 90; 90;

COD ID: 2108854

Formula: - C6 H3 Br3 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B 77(4) (2021)
Space group: P 21 21 21
Cell volume: 769.62
Cell parameters: 4.03673; 13.4739; 14.1499; 90; 90; 90;

COD ID: 2108855

Formula: - C6 H3 Br3 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Properties and interactions ‒ melting point of tribromobenzene isomers Acta Crystallographica Section B 77(4) (2021)
Space group: P 21 21 21
Cell volume: 756.62
Cell parameters: 4.00341; 13.4119; 14.0916; 90; 90; 90;

COD ID: 2108856

Formula: - C32 Cl16 Cu N8 -
Comments: Gorelik, 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 77(4) (2021)
Space group: C 1 2/m 1
Cell volume: 1708.2
Cell parameters: 17.5447; 25.9863; 3.76308; 90; 95.336; 90;

COD ID: 2108857

Formula: - C10 H12 K2 N10 O4 -
Comments: Gaydamaka, 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 77(5) (2021)
Space group: C 1 2/c 1
Cell volume: 3086.4
Cell parameters: 36.522; 3.82815; 28.639; 90; 129.573; 90;

COD ID: 2108858

Formula: - C10 H12 K2 N10 O4 -
Comments: Gaydamaka, 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 77(5) (2021)
Space group: C 1 2/c 1
Cell volume: 3099.1
Cell parameters: 36.534; 3.84179; 28.656; 90; 129.598; 90;

COD ID: 2108859

Formula: - C10 H12 K2 N10 O4 -
Comments: Gaydamaka, 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 77(5) (2021)
Space group: C 1 2/c 1
Cell volume: 3112.3
Cell parameters: 36.553; 3.85466; 28.687; 90; 129.646; 90;

COD ID: 2108860

Formula: - C10 H12 K2 N10 O4 -
Comments: Gaydamaka, 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 77(5) (2021)
Space group: C 1 2/c 1
Cell volume: 3128.3
Cell parameters: 36.575; 3.86969; 28.723; 90; 129.689; 90;

COD ID: 2108861

Formula: - C10 H12 K2 N10 O4 -
Comments: Gaydamaka, 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 77(5) (2021)
Space group: C 1 2/c 1
Cell volume: 3144.4
Cell parameters: 36.591; 3.88466; 28.759; 90; 129.719; 90;

COD ID: 2108862

Formula: - C5 H17 N5 Na2 O8 -
Comments: Gaydamaka, 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 77(5) (2021)
Space group: P 1 21/c 1
Cell volume: 1344.91
Cell parameters: 10.529; 11.6677; 11.1762; 90; 101.608; 90;

COD ID: 2108863

Formula: - C5 H17 N5 Na2 O8 -
Comments: Gaydamaka, 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 77(5) (2021)
Space group: P 1 21/c 1
Cell volume: 1346.91
Cell parameters: 10.5297; 11.67487; 11.1843; 90; 101.584; 90;

COD ID: 2108864

Formula: - C5 H17 N5 Na2 O8 -
Comments: Gaydamaka, 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 77(5) (2021)
Space group: P 1 21/c 1
Cell volume: 1349.4
Cell parameters: 10.5318; 11.68404; 11.1931; 90; 101.563; 90;

COD ID: 2108865

Formula: - C5 H17 N5 Na2 O8 -
Comments: Gaydamaka, 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 77(5) (2021)
Space group: P 1 21/c 1
Cell volume: 1352.55
Cell parameters: 10.534; 11.69648; 11.2042; 90; 101.545; 90;

COD ID: 2108866

Formula: - C5 H17 N5 Na2 O8 -
Comments: Gaydamaka, 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 77(5) (2021)
Space group: P 1 21/c 1
Cell volume: 1356.25
Cell parameters: 10.5373; 11.70992; 11.2176; 90; 101.523; 90;

COD ID: 2108867

Formula: - C5 H17 N5 Na2 O8 -
Comments: Gaydamaka, 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 77(5) (2021)
Space group: P 1 21/c 1
Cell volume: 1359.84
Cell parameters: 10.5404; 11.7241; 11.2296; 90; 101.504; 90;

COD ID: 2108868

Formula: - C5 H17 N5 Na2 O8 -
Comments: Gaydamaka, 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 77(5) (2021)
Space group: P 1 21/c 1
Cell volume: 1363.81
Cell parameters: 10.544; 11.7396; 11.2426; 90; 101.476; 90;

COD ID: 2108869

Formula: - C5 H17 N5 Na2 O8 -
Comments: Gaydamaka, 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 77(5) (2021)
Space group: P 1 21/c 1
Cell volume: 1368.3
Cell parameters: 10.5488; 11.7577; 11.2563; 90; 101.456; 90;

COD ID: 2108870

Formula: - C5 H17 N5 Na2 O8 -
Comments: Gaydamaka, 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 77(5) (2021)
Space group: P 1 21/c 1
Cell volume: 1372.65
Cell parameters: 10.553; 11.7759; 11.2683; 90; 101.41; 90;

COD ID: 2108871
CIF file HKL data	Formula: - C12 H42 Bi2 Cl12 N6 - Comments: Bujak, Maciej Understanding distortions of inorganic substructures in chloridobismuthates(III) Acta Crystallographica Section B 77(5) (2021) Space group: C 1 2/c 1 Cell volume: 3451.34 Cell parameters: 27.8842; 10.19431; 12.45639; 90; 102.911; 90;

COD ID: 2108872
CIF file HKL data	Formula: - C12 H42 Bi2 Cl12 N6 - Comments: Bujak, Maciej Understanding distortions of inorganic substructures in chloridobismuthates(III) Acta Crystallographica Section B 77(5) (2021) Space group: C 1 2/c 1 Cell volume: 3372.08 Cell parameters: 27.5447; 10.14187; 12.38379; 90; 102.906; 90;

COD ID: 2108873
CIF file HKL data	Formula: - C4 H14 Bi Cl5 N2 - Comments: Bujak, Maciej Understanding distortions of inorganic substructures in chloridobismuthates(III) Acta Crystallographica Section B 77(5) (2021) Space group: P 21 21 21 Cell volume: 1295.82 Cell parameters: 7.60312; 12.50404; 13.63023; 90; 90; 90;

COD ID: 2108874
CIF file HKL data	Formula: - C15 H42 Bi2 Cl9 N9 - Comments: Bujak, Maciej Understanding distortions of inorganic substructures in chloridobismuthates(III) Acta Crystallographica Section B 77(5) (2021) Space group: P 1 21/n 1 Cell volume: 3562.52 Cell parameters: 10.57031; 29.2063; 12.04367; 90; 106.634; 90;

COD ID: 2108875
CIF file HKL data	Formula: - C5 H14 Bi Cl4 N3 - Comments: Bujak, Maciej Understanding distortions of inorganic substructures in chloridobismuthates(III) Acta Crystallographica Section B 77(5) (2021) Space group: P -1 Cell volume: 1364.74 Cell parameters: 7.7179; 10.566; 18.0362; 95.585; 91.008; 110.965;

COD ID: 2108876

Formula: - C6 H9 N3 O2 -
Comments: Novelli, 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 L-histidine at 5, 105 and 295K Acta Crystallographica Section B 77(5) (2021)
Space group: P 1 21 1
Cell volume: 352.03
Cell parameters: 5.1651; 7.2324; 9.4957; 90; 97.065; 90;

COD ID: 2108877

Formula: - C6 H9 N3 O2 -
Comments: Novelli, 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 L-histidine at 5, 105 and 295K Acta Crystallographica Section B 77(5) (2021)
Space group: P 1 21 1
Cell volume: 354.07
Cell parameters: 5.1656; 7.2761; 9.4978; 90; 97.316; 90;

COD ID: 2108878

Formula: - C6 H9 N3 O2 -
Comments: Novelli, 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 L-histidine at 5, 105 and 295K Acta Crystallographica Section B 77(5) (2021)
Space group: P 1 21 1
Cell volume: 360.72
Cell parameters: 5.1854; 7.3998; 9.4976; 90; 98.182; 90;

COD ID: 2108879

Formula: - C6 H9 N3 O2 -
Comments: Novelli, 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 L-histidine at 5, 105 and 295K Acta Crystallographica Section B 77(5) (2021)
Space group: P 21 21 21
Cell volume: 697.99
Cell parameters: 5.1498; 7.1902; 18.8503; 90; 90; 90;

COD ID: 2108880

Formula: - C6 H9 N3 O2 -
Comments: Novelli, 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 L-histidine at 5, 105 and 295K Acta Crystallographica Section B 77(5) (2021)
Space group: P 21 21 21
Cell volume: 701.23
Cell parameters: 5.1521; 7.2228; 18.844; 90; 90; 90;

COD ID: 2108881

Formula: - C6 H9 N3 O2 -
Comments: Novelli, 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 L-histidine at 5, 105 and 295K Acta Crystallographica Section B 77(5) (2021)
Space group: P 21 21 21
Cell volume: 714.78
Cell parameters: 5.169; 7.343; 18.8317; 90; 90; 90;

COD ID: 2108882

COD ID: 2108883

Formula: - C6 H9 N3 O2 -
Comments: Novelli, 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 L-histidine at 5, 105 and 295K Acta Crystallographica Section B 77(5) (2021)
Space group: P 1 21 1
Cell volume: 354.07
Cell parameters: 5.1656; 7.2761; 9.4978; 90; 97.316; 90;

COD ID: 2108884

Formula: - C6 H9 N3 O2 -
Comments: Novelli, 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 L-histidine at 5, 105 and 295K Acta Crystallographica Section B 77(5) (2021)
Space group: P 1 21 1
Cell volume: 360.72
Cell parameters: 5.1854; 7.3998; 9.4976; 90; 98.182; 90;

COD ID: 2108885

Formula: - C6 H9 N3 O2 -
Comments: Novelli, 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 L-histidine at 5, 105 and 295K Acta Crystallographica Section B 77(5) (2021)
Space group: P 21 21 21
Cell volume: 697.99
Cell parameters: 5.1498; 7.1902; 18.8503; 90; 90; 90;

COD ID: 2108886

Formula: - C6 H9 N3 O2 -
Comments: Novelli, 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 L-histidine at 5, 105 and 295K Acta Crystallographica Section B 77(5) (2021)
Space group: P 21 21 21
Cell volume: 701.23
Cell parameters: 5.1521; 7.2228; 18.844; 90; 90; 90;

COD ID: 2108887

Formula: - C6 H9 N3 O2 -
Comments: Novelli, 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 L-histidine at 5, 105 and 295K Acta Crystallographica Section B 77(5) (2021)
Space group: P 21 21 21
Cell volume: 714.78
Cell parameters: 5.169; 7.343; 18.8317; 90; 90; 90;

COD ID: 2108888

Formula: - C58 H62 Cl2 Cu4 N12 O34 -
Comments: Li, 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 77(5) (2021)
Space group: P 1 21/n 1
Cell volume: 3420.4
Cell parameters: 15.2568; 14.5155; 15.455; 90; 92.086; 90;

COD ID: 2108889
CIF file HKL data	Formula: - C62 H70 Cu4 N14 O32 - Comments: Li, 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 77(5) (2021) Space group: P 1 21/n 1 Cell volume: 3493.8 Cell parameters: 15.1553; 15.2135; 15.1959; 90; 94.292; 90;

COD ID: 2108890

Formula: - C30 H31 Br2 Cl3 Cu2 N6 O12 -
Comments: Li, 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 77(5) (2021)
Space group: C 1 c 1
Cell volume: 3922.93
Cell parameters: 14.333; 17.1049; 16.3502; 90; 101.859; 90;

COD ID: 2108891

Formula: - C6 H12 N3 O3 -
Comments: Gallo, 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 77(6) (2021) 986-995
Space group: A m a 2
Cell volume: 854.4
Cell parameters: 12.1054; 13.5537; 5.20741; 90; 90; 90;

COD ID: 2108892

Formula: - C7 H8 Cl N3 O4 S2 -
Comments: Wojnarska, 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 77(6) (2021) 965-973
Space group: P 1 21 1
Cell volume: 577.558
Cell parameters: 7.3288; 8.5032; 9.9467; 90; 111.29; 90;

COD ID: 2108893

Formula: - C12 H11 N O5 -
Comments: Iqbal, 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 77(6) (2021) 1035-1047
Space group: P c a 21
Cell volume: 2114.4
Cell parameters: 13.6648; 11.9321; 12.9678; 90; 90; 90;

COD ID: 2108894

COD ID: 2108895

COD ID: 2108896

COD ID: 2108897

Formula: - C21 H29 N O2 -
Comments: Kleemiss, 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 77(6) (2021) 892-905
Space group: P 21 21 21
Cell volume: 2014.2
Cell parameters: 5.913; 15.305; 22.257; 90; 90; 90;

COD ID: 2108898

Formula: - C20 H29 N O2 Si -
Comments: Kleemiss, 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 77(6) (2021) 892-905
Space group: P 21 21 21
Cell volume: 2047.4
Cell parameters: 6.816; 12.721; 23.613; 90; 90; 90;

COD ID: 2108899

Formula: - C19 H32 N4 O4 -
Comments: Kleemiss, 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 77(6) (2021) 892-905
Space group: P 21 21 21
Cell volume: 4088.1
Cell parameters: 9.3033; 14.8134; 29.664; 90; 90; 90;

COD ID: 2108900

Formula: - C4 H15 O15 Rh -
Comments: Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey Oxonium trans-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid Acta Crystallographica Section B 77(6) (2021) 1048-1054
Space group: C 1 2/c 1
Cell volume: 1313.32
Cell parameters: 16.2131; 13.0362; 6.3015; 90; 99.572; 90;

COD ID: 2108901

Formula: - C4 H11 Na2 O14 Rh -
Comments: Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey Oxonium trans-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid Acta Crystallographica Section B 77(6) (2021) 1048-1054
Space group: P -1
Cell volume: 298.42
Cell parameters: 5.55; 6.44; 8.59; 94.2; 99.4; 98.1;

COD ID: 2108902

Formula: - C4 H8 Na O12 Rh -
Comments: Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey Oxonium trans-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid Acta Crystallographica Section B 77(6) (2021) 1048-1054
Space group: P -1
Cell volume: 254.612
Cell parameters: 5.2554; 6.4584; 8.2102; 97.796; 92.099; 112.113;

COD ID: 2108903

Formula: - C4 H8 Na O12 Rh -
Comments: Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey Oxonium trans-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid Acta Crystallographica Section B 77(6) (2021) 1048-1054
Space group: P -1
Cell volume: 507.88
Cell parameters: 6.2055; 7.8091; 10.7762; 95.557; 98.352; 98.065;

COD ID: 2108904

Formula: - C54 H52 Cl4 Ni O2 P2 S6 -
Comments: Adamko Koziskova, Julia; Chen, Yu-Sheng; Grass, Su-Yin; Chuang, Yu-Chun; Hsu, I-Jui; Wang, Yu; Lutz, Martin; Volkov, Anatoliy; Herich, Peter; Vénosová, Barbora; Jelemenská, Ingrid; Bučinský, Lukáš; Breza, Martin; Kožíšek, Jozef Electronic structure of (MePh~3~P)~2~[Ni^II^(bdtCl~2~)~2~]·2(CH~3~)~2~SO and (MePh~3~P)[Ni^III^(bdtCl~2~)~2~] (bdtCl~2~ = 3,6-dichlorobenzene-1,2-dithiolate) Acta Crystallographica Section B 77(6) (2021) 919-929
Space group: P 1 21/n 1
Cell volume: 2641
Cell parameters: 13.8788; 11.5765; 16.4387; 90; 90.651; 90;

COD ID: 2108905

Formula: - C31 H22 Cl4 Ni P S4 -
Comments: Adamko Koziskova, Julia; Chen, Yu-Sheng; Grass, Su-Yin; Chuang, Yu-Chun; Hsu, I-Jui; Wang, Yu; Lutz, Martin; Volkov, Anatoliy; Herich, Peter; Vénosová, Barbora; Jelemenská, Ingrid; Bučinský, Lukáš; Breza, Martin; Kožíšek, Jozef Electronic structure of (MePh~3~P)~2~[Ni^II^(bdtCl~2~)~2~]·2(CH~3~)~2~SO and (MePh~3~P)[Ni^III^(bdtCl~2~)~2~] (bdtCl~2~ = 3,6-dichlorobenzene-1,2-dithiolate) Acta Crystallographica Section B 77(6) (2021) 919-929
Space group: P 1 21/c 1
Cell volume: 3087.81
Cell parameters: 13.3664; 14.4849; 15.9712; 90; 93.054; 90;

COD ID: 2108906

Formula: - C31 H22 Cl4 Ni P S4 -
Comments: Adamko Koziskova, Julia; Chen, Yu-Sheng; Grass, Su-Yin; Chuang, Yu-Chun; Hsu, I-Jui; Wang, Yu; Lutz, Martin; Volkov, Anatoliy; Herich, Peter; Vénosová, Barbora; Jelemenská, Ingrid; Bučinský, Lukáš; Breza, Martin; Kožíšek, Jozef Electronic structure of (MePh~3~P)~2~[Ni^II^(bdtCl~2~)~2~]·2(CH~3~)~2~SO and (MePh~3~P)[Ni^III^(bdtCl~2~)~2~] (bdtCl~2~ = 3,6-dichlorobenzene-1,2-dithiolate) Acta Crystallographica Section B 77(6) (2021) 919-929
Space group: P 1 21/c 1
Cell volume: 3076.84
Cell parameters: 13.3785; 14.4463; 15.9474; 90; 93.364; 90;

COD ID: 2108907

Formula: - C12 H19 N3 O8 S -
Comments: Shteingolts, Sergey A.; Voronina, Julia K.; Saifina, Liliya F.; Shulaeva, Marina M.; Semenov, Vyacheslav E.; Fayzullin, Robert R. On the transfer of theoretical multipole parameters for restoring static electron density and revealing and treating atomic anharmonic motion. Features of chemical bonding in crystals of an isocyanuric acid derivative Acta Crystallographica Section B 77(6) (2021) 871-891
Space group: P 1 21/c 1
Cell volume: 1571.47
Cell parameters: 11.2921; 17.8132; 8.3448; 90; 110.575; 90;

COD ID: 2108908

Formula: - C4 H7 N5 O3 -
Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1H-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002
Space group: P 1 21/c 1
Cell volume: 727.2
Cell parameters: 5.1374; 10.305; 13.935; 90; 99.71; 90;

COD ID: 2108909
CIF file HKL data	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P 1 21/c 1 Cell volume: 726.5 Cell parameters: 5.1439; 10.2415; 14.008; 90; 100.11; 90;

COD ID: 2108910
CIF file HKL data	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P 1 21/c 1 Cell volume: 720.1 Cell parameters: 5.1216; 10.2236; 13.952; 90; 99.7; 90;

COD ID: 2108911
CIF file HKL data	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P 1 21/c 1 Cell volume: 714.7 Cell parameters: 5.0993; 10.252; 13.845; 90; 99.11; 90;

COD ID: 2108912
CIF file HKL data	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P 1 21/c 1 Cell volume: 712.5 Cell parameters: 5.1064; 10.1978; 13.867; 90; 99.36; 90;

COD ID: 2108913
CIF file HKL data	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P 1 21/c 1 Cell volume: 708.2 Cell parameters: 5.0897; 10.213; 13.789; 90; 98.86; 90;

COD ID: 2108914
CIF file	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P 1 21/c 1 Cell volume: 707.7 Cell parameters: 5.0963; 10.1784; 13.823; 90; 99.25; 90;

COD ID: 2108915
CIF file HKL data	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P 1 21/c 1 Cell volume: 706.2 Cell parameters: 5.0956; 10.1775; 13.792; 90; 99.13; 90;

COD ID: 2108916
CIF file HKL data	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P 1 21/c 1 Cell volume: 702.2 Cell parameters: 5.0851; 10.1654; 13.751; 90; 98.93; 90;

COD ID: 2108917
CIF file HKL data	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P 1 21/c 1 Cell volume: 702.2 Cell parameters: 5.099; 10.193; 13.666; 90; 98.65; 90;

COD ID: 2108918
CIF file HKL data	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P 1 21/c 1 Cell volume: 694.9 Cell parameters: 5.0608; 10.1526; 13.677; 90; 98.54; 90;

COD ID: 2108919
CIF file HKL data	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P 1 21/c 1 Cell volume: 686.3 Cell parameters: 5.036; 10.162; 13.54; 90; 97.94; 90;

COD ID: 2108920
CIF file	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P 1 21/c 1 Cell volume: 679 Cell parameters: 5.024; 10.158; 13.43; 90; 97.88; 90;

COD ID: 2108921
CIF file	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P 1 21/c 1 Cell volume: 675 Cell parameters: 5.028; 10.152; 13.36; 90; 97.9; 90;

COD ID: 2108922
CIF file HKL data	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P 1 21/c 1 Cell volume: 672 Cell parameters: 4.984; 10.093; 13.53; 90; 99.3; 90;

COD ID: 2108923
CIF file HKL data	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P -1 Cell volume: 703.45 Cell parameters: 5.0927; 10.2465; 13.6617; 88.714; 98.962; 92.48;

COD ID: 2108924
CIF file HKL data	Formula: - C4 H7 N5 O3 - Comments: Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B 77(6) (2021) 996-1002 Space group: P 1 21/c 1 Cell volume: 731.38 Cell parameters: 5.1532; 10.2613; 14.0623; 90; 100.401; 90;

COD ID: 2108925