Crystallography Open Database

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Searching journal of publication like 'Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials' volume of publication is 77

COD ID: 2022874
CIF file

HKL data

Formula: - Cs I4 -
Comments: Poreba, 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 77(6) (2021) 934-939
Space group: P 1 21/c 1
Cell volume: 941.46
Cell parameters: 10.2847; 8.9809; 11.21; 90; 114.598; 90;  

COD ID: 2022875
CIF file

HKL data

Formula: - Cs I4 -
Comments: Poreba, 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 77(6) (2021) 934-939
Space group: P 1 21/c 1
Cell volume: 901.91
Cell parameters: 10.1323; 8.88899; 11.0453; 90; 114.957; 90;  

COD ID: 2022876
CIF file

HKL data

Formula: - Cs I4 -
Comments: Poreba, 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 77(6) (2021) 934-939
Space group: P 1 21/c 1
Cell volume: 867.3
Cell parameters: 9.997; 8.8025; 10.9003; 90; 115.28; 90;  

COD ID: 2022877
CIF file

HKL data

Formula: - Cs I4 -
Comments: Poreba, 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 77(6) (2021) 934-939
Space group: P 1 21/c 1
Cell volume: 850.2
Cell parameters: 9.934; 8.7538; 10.8339; 90; 115.517; 90;  

COD ID: 2022878
CIF file

HKL data

Formula: - Cs I4 -
Comments: Poreba, 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 77(6) (2021) 934-939
Space group: P 1 21/c 1
Cell volume: 829.1
Cell parameters: 9.842; 8.7061; 10.7364; 90; 115.68; 90;  

COD ID: 2022879
CIF file

HKL data

Formula: - Cs I4 -
Comments: Poreba, 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 77(6) (2021) 934-939
Space group: P 1 21/c 1
Cell volume: 817.6
Cell parameters: 9.788; 8.6889; 10.66; 90; 115.607; 90;  

COD ID: 2022880
CIF file

HKL data

Formula: - Cs I4 -
Comments: Poreba, 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 77(6) (2021) 934-939
Space group: P 1 21/c 1
Cell volume: 802.07
Cell parameters: 9.7195; 8.6486; 10.59; 90; 115.709; 90;  

COD ID: 2022881
CIF file

HKL data

Formula: - Cs I4 -
Comments: Poreba, 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 77(6) (2021) 934-939
Space group: P 1 21/c 1
Cell volume: 783.46
Cell parameters: 9.637; 8.6017; 10.4967; 90; 115.788; 90;  

COD ID: 2022882
CIF file

HKL data

Formula: - Cs I4 -
Comments: Poreba, 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 77(6) (2021) 934-939
Space group: P 1 21/c 1
Cell volume: 778.75
Cell parameters: 9.6171; 8.5889; 10.4726; 90; 115.81; 90;  

COD ID: 2022883
CIF file

HKL data

Formula: - Cs I4 -
Comments: Poreba, 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 77(6) (2021) 934-939
Space group: P 1 21/c 1
Cell volume: 771.4
Cell parameters: 9.5973; 8.5648; 10.4284; 90; 115.854; 90;  

COD ID: 2022884
CIF file

HKL data

Formula: - Cs I4 -
Comments: Poreba, 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 77(6) (2021) 934-939
Space group: P 1 21/c 1
Cell volume: 745.56
Cell parameters: 9.4705; 8.5022; 10.2962; 90; 115.934; 90;  

COD ID: 2022885
CIF file

HKL data

Formula: - Cs I4 -
Comments: Poreba, 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 77(6) (2021) 934-939
Space group: P 1 21/c 1
Cell volume: 732.75
Cell parameters: 9.4109; 8.4696; 10.2258; 90; 115.972; 90;  

COD ID: 2022886
CIF file

HKL data

Formula: - Cs I4 -
Comments: Poreba, 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 77(6) (2021) 934-939
Space group: P 1 21/c 1
Cell volume: 720.79
Cell parameters: 9.3544; 8.4389; 10.1587; 90; 115.998; 90;  

COD ID: 2022887
CIF file

HKL data

Formula: - Cs I4 -
Comments: Poreba, 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 77(6) (2021) 934-939
Space group: P 1 21/c 1
Cell volume: 708.37
Cell parameters: 9.2978; 8.4056; 10.0857; 90; 116.015; 90;  

COD ID: 2022888
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file 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
CIF file

HKL data

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~<i>K</i>α and Mo~<i>K</i>α 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
CIF file

HKL data

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~<i>K</i>α and Mo~<i>K</i>α 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
CIF file

HKL data

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~<i>K</i>α and Mo~<i>K</i>α 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
CIF file

HKL data

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~<i>K</i>α and Mo~<i>K</i>α 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
CIF file 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~<i>K</i>α and Mo~<i>K</i>α 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
CIF file

Original IUCr paper

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 <i>myo</i>-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
CIF file

HKL data

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 <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {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
CIF file

HKL data

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 <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {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
CIF file

HKL data

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 <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {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
CIF file

HKL data

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 <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file 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
CIF file 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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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-11<i>H</i>-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
CIF file

HKL data

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-11<i>H</i>-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
CIF file

HKL data

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-11<i>H</i>-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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

Formula: - C8 H12 Br5 Cr N4 -
Comments: Dissanayaka 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 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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

Original IUCr paper

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 <small>L</small>-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
CIF file

HKL data

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 <small>L</small>-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
CIF file

HKL data

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 <small>L</small>-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
CIF file

HKL data

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 <small>L</small>-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
CIF file

HKL data

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 <small>L</small>-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
CIF file

HKL data

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 <small>L</small>-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
CIF file

HKL data

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 <small>L</small>-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: 2108883
CIF file

HKL data

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 <small>L</small>-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
CIF file

HKL data

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 <small>L</small>-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
CIF file

HKL data

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 <small>L</small>-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
CIF file

HKL data

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 <small>L</small>-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
CIF file

HKL data

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 <small>L</small>-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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

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
CIF file 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
CIF file 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
CIF file

HKL data

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
CIF file 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: 2108895
CIF file 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: 2108896
CIF file

HKL data

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: 2108897
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

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
CIF file

HKL data

Original IUCr paper

Formula: - C4 H15 O15 Rh -
Comments: Garkul, 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 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
CIF file

HKL data

Formula: - C4 H11 Na2 O14 Rh -
Comments: Garkul, 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 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
CIF file

HKL data

Formula: - C4 H8 Na O12 Rh -
Comments: Garkul, 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 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
CIF file

HKL data

Formula: - C4 H8 Na O12 Rh -
Comments: Garkul, 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 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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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
CIF file

Original IUCr paper

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
CIF file

HKL data

Original IUCr paper

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: 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
CIF file

HKL data

Original IUCr paper

Formula: - Cu8 K5.13 Na10.87 O64 S16 -
Comments: Siidra, Oleg I.; Charkin, Dmitry O.; Kovrugin, Vadim M.; Borisov, Artem S. K(Na,K)Na~2~[Cu~2~(SO~4~)~4~]: a new highly porous anhydrous sulfate and evaluation of possible ion migration pathways Acta Crystallographica Section B 77(6) (2021) 1003-1011
Space group: P 1 21/c 1
Cell volume: 1419.29
Cell parameters: 12.5085; 9.3166; 12.7894; 90; 107.775; 90;  


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