Crystallography Open Database

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Searching journal of publication like 'IUCrJ' volume of publication is 6

COD ID: 1550342
CIF file

Original IUCr paper

 Formula: - C15.5 H17 Cu N3.5 O5.75 -
Comments: Wang, Sujuan; Wei, Zhang-Wen; Zhang, Jianyong; Jiang, Long; Liu, Dingxin; Jiang, Ji-Jun; Si, Rui; Su, Cheng-Yong Framework disorder and its effect on selective hysteretic sorption of a T-shaped azole-based metal‒organic framework IUCrJ 6(1) (2019)
Space group: P 1 21/c 1
Cell volume: 1760.57
Cell parameters: 10.8431; 11.8835; 14.4823; 90; 109.361; 90;  

COD ID: 1550370
CIF file

Original IUCr paper

 Formula: - C4 H9 Co N O6 -
Comments: Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound IUCrJ 6(1) (2019) 105-115
Space group: P n m a
Cell volume: 785.48
Cell parameters: 8.2674; 11.66; 8.1483; 90; 90; 90;  

COD ID: 1550371
CIF file

Original IUCr paper

 Formula: - C4 H9 Co N O6 -
Comments: Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound IUCrJ 6(1) (2019) 105-115
Space group: P n m a
Cell volume: 784.05
Cell parameters: 8.2556; 11.6519; 8.1508; 90; 90; 90;  

COD ID: 1550372
CIF file

Original IUCr paper

 Formula: - C4 H9 Co N O6 -
Comments: Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound IUCrJ 6(1) (2019) 105-115
Space group: P n m a
Cell volume: 788.29
Cell parameters: 8.2702; 11.6766; 8.1631; 90; 90; 90;  

COD ID: 1550373
CIF file

Original IUCr paper

 Formula: - C4 H9 Co N O6 -
Comments: Canadillas-Delgado, Laura; Mazzuca, Lidia; Fabelo, Oscar; Rodriguez-Velamazan, J. Alberto; Rodriguez-Carvajal, Juan Incommensurate structures of the [CH~3~NH~3~][Co(COOH)~3~] compound IUCrJ 6(1) (2019) 105-115
Space group: P n m a
Cell volume: 784.29
Cell parameters: 8.2548; 11.6547; 8.1521; 90; 90; 90;  

COD ID: 1550383
CIF file Formula: - Al2 Eu4 F2 O8 -
Comments: Morán-Ruiz, Aroa; Wain-Martin, Aritza; Orera, Alodia; Sanjuán, María Luisa; Larrañaga, Aitor; Slater, Peter R.; Arriortua, Maribel Synthesis of new Ln~4~(Al~2~O~6~F~2~)O~2~ (Ln = Sm, Eu, Gd) phases with a cuspidine-related structure IUCrJ 6(1) (2019) 128-135
Space group: P 1 21/c 1
Cell volume: 862.67
Cell parameters: 7.5885; 10.8399; 11.0776; 90; 108.788; 90;  

COD ID: 1550384
CIF file Formula: - Al2 F2 O8 Sm4 -
Comments: Morán-Ruiz, Aroa; Wain-Martin, Aritza; Orera, Alodia; Sanjuán, María Luisa; Larrañaga, Aitor; Slater, Peter R.; Arriortua, Maribel Synthesis of new Ln~4~(Al~2~O~6~F~2~)O~2~ (Ln = Sm, Eu, Gd) phases with a cuspidine-related structure IUCrJ 6(1) (2019) 128-135
Space group: P 1 21/c 1
Cell volume: 870.84
Cell parameters: 7.6188; 10.8705; 11.1077; 90; 108.805; 90;  

COD ID: 1550439
CIF file Formula: - C16 H26 -
Comments: van de Streek, Jacco; Alig, Edith; Parsons, Simon; Vella-Zarb, Liana A jumping crystal predicted with molecular dynamics and analysed with TLS refinement against powder diffraction data IUCrJ 6(1) (2019) 136-144
Space group: P 1 21/n 1
Cell volume: 679.65
Cell parameters: 14.3334; 5.56223; 8.53021; 90; 92.0219; 90;  

COD ID: 1550440
CIF file Formula: - C7 H15 Cl N2 O -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 1 21 1
Cell volume: 1471.47
Cell parameters: 7.2588; 8.9399; 22.7927; 90; 95.818; 90;  

COD ID: 1550441
CIF file Formula: - C7 H15 I N2 O -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P b c a
Cell volume: 4345.11
Cell parameters: 13.4725; 9.8551; 32.7259; 90; 90; 90;  

COD ID: 1550442
CIF file Formula: - C7 H15 Cl N2 O -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 1 21 1
Cell volume: 489.35
Cell parameters: 7.2902; 8.9099; 7.8789; 90; 107.024; 90;  

COD ID: 1550443
CIF file Formula: - C7 H15 Br N2 O -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 1 21 1
Cell volume: 519.08
Cell parameters: 7.5269; 9.1017; 7.93; 90; 107.161; 90;  

COD ID: 1550444
CIF file Formula: - C7 H15 I N2 O -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 21 21 21
Cell volume: 1071.16
Cell parameters: 7.585; 10.8242; 13.0468; 90; 90; 90;  

COD ID: 1550445
CIF file Formula: - C14 H30 B Cl F4 N4 O2 -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 21 21 21
Cell volume: 2076.76
Cell parameters: 9.4006; 13.2619; 16.6581; 90; 90; 90;  

COD ID: 1550446
CIF file Formula: - C22 H27 Br N2 O4 S -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 21 21 21
Cell volume: 2334.4
Cell parameters: 6.106; 9.0317; 42.33; 90; 90; 90;  

COD ID: 1550447
CIF file Formula: - C22 H27 I N2 O4 S -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 21 21 21
Cell volume: 2417.17
Cell parameters: 6.2219; 9.0228; 43.0569; 90; 90; 90;  

COD ID: 1550448
CIF file Formula: - C22 H27 N3 O7 S -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 21 21 21
Cell volume: 2414.38
Cell parameters: 6.3765; 8.8174; 42.942; 90; 90; 90;  

COD ID: 1550449
CIF file Formula: - C22 H32 N2 O9.5 P S -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 1
Cell volume: 2595.2
Cell parameters: 8.7929; 12.6645; 23.7867; 82.3345; 81.4117; 89.9824;  

COD ID: 1550450
CIF file Formula: - C15 H24 N2 O5 -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 1 21 1
Cell volume: 766.164
Cell parameters: 11.47377; 6.14747; 11.71348; 90; 111.978; 90;  

COD ID: 1550451
CIF file Formula: - C19 H23 Cl N6 O4 -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 1 21/c 1
Cell volume: 2003
Cell parameters: 12.6065; 13.0726; 12.6694; 90; 106.397; 90;  

COD ID: 1550452
CIF file Formula: - C20 H23 Cl N6 O S -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P -1
Cell volume: 2105.9
Cell parameters: 12.1482; 13.1848; 13.8251; 90.263; 90.218; 108.005;  

COD ID: 1550453
CIF file Formula: - C19 H23 B Cl F4 N5 O -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 1 21/c 1
Cell volume: 2079.49
Cell parameters: 12.46473; 12.98315; 13.42014; 90; 106.765; 90;  

COD ID: 1550454
CIF file Formula: - C16 H21 N O4 S -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 1 21 1
Cell volume: 816.998
Cell parameters: 5.72587; 20.83882; 6.92054; 90; 98.3547; 90;  

COD ID: 1550455
CIF file Formula: - C24 H38 N2 O8 -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 1
Cell volume: 624.781
Cell parameters: 5.8213; 7.27088; 15.90214; 94.7215; 96.6693; 109.525;  

COD ID: 1550456
CIF file Formula: - C24 H38 N2 O9 -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 1 21 1
Cell volume: 1302.63
Cell parameters: 6.07189; 32.9414; 7.1383; 90; 114.168; 90;  

COD ID: 1550457
CIF file Formula: - C10 H16 N2 O4 -
Comments: Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ 6(1) (2019) 145-151
Space group: P 1 21 1
Cell volume: 1206.7
Cell parameters: 6.0401; 29.3553; 7.3828; 90; 112.806; 90;  

COD ID: 1550520
CIF file

Original IUCr paper

 Formula: - C12 H16 N4 O6 -
Comments: Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate IUCrJ 6(2) (2019)
Space group: P 1 21/c 1
Cell volume: 1407.34
Cell parameters: 14.0525; 7.8134; 12.8242; 90; 91.848; 90;  

COD ID: 1550521
CIF file

Original IUCr paper

 Formula: - C12 H14 N4 O5 -
Comments: Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate IUCrJ 6(2) (2019)
Space group: P 1 21/c 1
Cell volume: 1233.9
Cell parameters: 6.8711; 15.119; 11.884; 90; 91.858; 90;  

COD ID: 1550522
CIF file

Original IUCr paper

 Formula: - C12 H14 N4 O5 -
Comments: Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate IUCrJ 6(2) (2019)
Space group: P 1 21/c 1
Cell volume: 1303.22
Cell parameters: 13.2706; 7.651; 13.1269; 90; 102.097; 90;  

COD ID: 1551103
CIF file

Original IUCr paper

 Formula: - C8 H19 N O3 -
Comments: Khandavilli, U. B. Rao; Lusi, Matteo; Frawley, Patrick J. Plasticity in zwitterionic drugs: the bending properties of Pregabalin and Gabapentin and their hydrates IUCrJ 6(4) (2019)
Space group: P 1 21 1
Cell volume: 8584.1
Cell parameters: 9.6559; 29.8416; 30.1248; 90; 98.54; 90;  

COD ID: 1551104
CIF file Formula: - C8 H19 N O3 -
Comments: Khandavilli, U. B. Rao; Lusi, Matteo; Frawley, Patrick J. Plasticity in zwitterionic drugs: the bending properties of Pregabalin and Gabapentin and their hydrates IUCrJ 6(4) (2019)
Space group: C 1 2 1
Cell volume: 1109.5
Cell parameters: 9.566; 7.44; 15.911; 90; 101.54; 90;  

COD ID: 1551412
CIF file

Original IUCr paper

 Formula: - C16 H36 N8 Ni O13 -
Comments: Christensen, Jeppe; Horton, Peter N.; Bury, Charles S.; Dickerson, Joshua L.; Taberman, Helena; Garman, Elspeth F.; Coles, Simon J. Radiation damage in small-molecule crystallography: fact not fiction IUCrJ 6(4) (2019)
Space group: P 21 21 21
Cell volume: 2663.2
Cell parameters: 8.949; 15.4457; 19.2674; 90; 90; 90;  

COD ID: 1551854
CIF file

Original IUCr paper

 Formula: - C22 H19 F3 N4 O3 S -
Comments: Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ 6(4) (2019)
Space group: P 1 21/n 1
Cell volume: 2140.1
Cell parameters: 14.5182; 8.2844; 17.8349; 90; 93.899; 90;  

COD ID: 1551855
CIF file Formula: - C23 H21 F3 N4 O3 S -
Comments: Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ 6(4) (2019)
Space group: P -1
Cell volume: 1157.9
Cell parameters: 10.0694; 10.6113; 12.6499; 113.451; 100.897; 101.744;  

COD ID: 1551856
CIF file Formula: - C24 H20 F6 N4 O3 S -
Comments: Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ 6(4) (2019)
Space group: P -1
Cell volume: 1254.4
Cell parameters: 7.4563; 13.01; 13.7231; 100.17; 95.715; 104.444;  

COD ID: 1551857
CIF file Formula: - C23 H21 F3 N4 O4 S -
Comments: Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ 6(4) (2019)
Space group: P -1
Cell volume: 1173.4
Cell parameters: 7.6112; 11.3462; 15.1063; 105.897; 102.702; 101.93;  

COD ID: 1551858
CIF file Formula: - C17 H21 Cl N3 O6.5 S -
Comments: Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ 6(4) (2019)
Space group: C 1 2/c 1
Cell volume: 3913
Cell parameters: 23.819; 8.4372; 23.45; 90; 123.868; 90;  

COD ID: 1551859
CIF file Formula: - C18 H22 Cl N3 O6 S -
Comments: Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ 6(4) (2019)
Space group: P -1
Cell volume: 1016.37
Cell parameters: 8.5442; 11.3615; 12.1409; 63.447; 88.724; 75.712;  

COD ID: 1551860
CIF file Formula: - C17 H22 Cl N3 O7 S -
Comments: Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ 6(4) (2019)
Space group: P 1 21/n 1
Cell volume: 2005.3
Cell parameters: 11.116; 8.447; 21.388; 90; 93.12; 90;  

COD ID: 1551861
CIF file Formula: - C12 H13 Cl N4 O5 S2 -
Comments: Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ 6(4) (2019)
Space group: P 1 21/c 1
Cell volume: 1601
Cell parameters: 6.8039; 13.5399; 18.8949; 90; 113.113; 90;  

COD ID: 1551862
CIF file Formula: - C12 H13 Cl N4 O5 S2 -
Comments: Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ 6(4) (2019)
Space group: P n a 21
Cell volume: 1531.9
Cell parameters: 29.442; 7.3421; 7.0867; 90; 90; 90;  

COD ID: 1551863
CIF file Formula: - C17 H26 Cl N5 O6 S2 -
Comments: Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ 6(4) (2019)
Space group: P -1
Cell volume: 1060.61
Cell parameters: 8.693; 10.6472; 12.8556; 113.672; 98.9; 95.358;  

COD ID: 1551864
CIF file Formula: - C19 H30 Cl N5 O6 S2 -
Comments: Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ 6(4) (2019)
Space group: P b c a
Cell volume: 4990
Cell parameters: 11.8873; 19.315; 21.733; 90; 90; 90;  

COD ID: 1552087
CIF file

Original IUCr paper

 Formula: - O192 Si96 -
Comments: Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ 6(5) (2019)
Space group: P n m a
Cell volume: 5555.48
Cell parameters: 19.98; 20.43; 13.61; 90; 90; 90;  

COD ID: 1552088
CIF file Formula: - O192 Si96 -
Comments: Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ 6(5) (2019)
Space group: P n m a
Cell volume: 5542.28
Cell parameters: 20.58; 19.6; 13.74; 90; 90; 90;  

COD ID: 1552089
CIF file Formula: - O192 Si96 -
Comments: Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ 6(5) (2019)
Space group: P n m a
Cell volume: 5555.98
Cell parameters: 20.39; 20.08; 13.57; 90; 90; 90;  

COD ID: 1552090
CIF file Formula: - O128 Si64 -
Comments: Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ 6(5) (2019)
Space group: C m c m
Cell volume: 2790.48
Cell parameters: 18.12; 20; 7.7; 90; 90; 90;  

COD ID: 1552091
CIF file Formula: - O5280 Si2640 -
Comments: Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ 6(5) (2019)
Space group: I m -3 m
Cell volume: 167011
Cell parameters: 55.07; 55.07; 55.07; 90; 90; 90;  

COD ID: 1552092
CIF file Formula: - O2880 Si1440 -
Comments: Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ 6(5) (2019)
Space group: I m -3 m
Cell volume: 91550.9
Cell parameters: 45.07; 45.07; 45.07; 90; 90; 90;  

COD ID: 1552093
CIF file Formula: - C192 O96.16 Ti16 Zr4 -
Comments: Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ 6(5) (2019)
Space group: I -4 2 m
Cell volume: 8113
Cell parameters: 16.5; 16.5; 29.8; 90; 90; 90;  

COD ID: 1552292
CIF file

Original IUCr paper

 Formula: - C13 H11 N O -
Comments: Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ 6(6) (2019)
Space group: P c a 21
Cell volume: 1020
Cell parameters: 23.354; 5.6449; 7.7373; 90; 90; 90;  

COD ID: 1552293
CIF file Formula: - C15 H13 N O2 -
Comments: Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ 6(6) (2019)
Space group: P b c a
Cell volume: 2432.5
Cell parameters: 10.5366; 7.4255; 31.091; 90; 90; 90;  

COD ID: 1552294
CIF file Formula: - C36 H30 I2 N2 O6 -
Comments: Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ 6(6) (2019)
Space group: P -1
Cell volume: 1702.8
Cell parameters: 9.3954; 10.055; 19.911; 101.278; 92.285; 111.552;  

COD ID: 1552295
CIF file Formula: - C36 H30 I2 N2 O6 -
Comments: Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ 6(6) (2019)
Space group: P 1 21/c 1
Cell volume: 3410.2
Cell parameters: 21.7663; 9.8526; 16.269; 90; 102.198; 90;  

COD ID: 1552296
CIF file Formula: - C26 H22 N2 O2 -
Comments: Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ 6(6) (2019)
Space group: I 1 2/a 1
Cell volume: 8610.8
Cell parameters: 19.7244; 12.392; 35.75; 90; 99.796; 90;  

COD ID: 1552401
CIF file

Original IUCr paper

 Formula: - C18 H26 N2 O2 -
Comments: Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine IUCrJ 6(6) (2019)
Space group: P b c a
Cell volume: 1657.7
Cell parameters: 5.5482; 12.167; 24.556; 90; 90; 90;  

COD ID: 1552402
CIF file

Original IUCr paper

 Formula: - C18 H26 N2 O2 -
Comments: Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine IUCrJ 6(6) (2019)
Space group: P 1 21/n 1
Cell volume: 852
Cell parameters: 5.6352; 13.4281; 11.2825; 90; 93.703; 90;  

COD ID: 1552403
CIF file

Original IUCr paper

 Formula: - C11 H18 N2 O -
Comments: Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine IUCrJ 6(6) (2019)
Space group: P 21 21 21
Cell volume: 1087
Cell parameters: 5.9035; 8.3771; 21.98; 90; 90; 90;  


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