Crystallography Open Database

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2020642 CIF
HKL
C21 H18 O8 SP 1 21/c 114.5888; 6.044; 21.5364
90; 100.216; 90
1868.86Tamboli, Majid I.; Krishanaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.
Engineering crystals that facilitate the acyl-transfer reaction: insight from a comparison of the crystal structures of <i>my</i>o-inositol-1,3,5-orthoformate-derived benzoates and carbonates
Acta Crystallographica Section C, 2016, 72, 875-881
2020643 CIF
HKL
Paper
C6 H9 N3 O6 SP -17.835; 8.105; 15.881
97.03; 90.21; 90.15
1000.9Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam
Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives
Acta Crystallographica Section C, 2016, 72, 882-889
2020644 CIF
HKL
C12 H16 N6 O8 SC 1 2/c 110.557; 13.632; 12.211
90; 97.12; 90
1743.8Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam
Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives
Acta Crystallographica Section C, 2016, 72, 882-889
2020645 CIF
HKL
C6 H10 N2 O4 SP -18.029; 10.645; 11.541
82.95; 87.95; 67.93
907.1Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam
Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives
Acta Crystallographica Section C, 2016, 72, 882-889
2020646 CIF
HKL
Paper
C12 H20 N4 O5 SP 1 21/c 110.909; 10.7; 14.267
90; 110.34; 90
1561.5Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam
Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives
Acta Crystallographica Section C, 2016, 72, 882-889
2020647 CIF
HKL
Paper
C20 H24 Mn N6 O6 SP -18.8547; 9.9689; 12.9721
97.005; 97.885; 90.929
1125.14Lu, Xin-Hua; Zhong, Kai-Long
A new three-dimensional manganese(II) coordination polymer based on the 1,3,5-tris[(1<i>H</i>-imidazol-1-yl)methyl]benzene ligand
Acta Crystallographica Section C, 2016, 72, 895-900
2020648 CIF
HKL
C20 H18 Br2 N10 ZnP b c n11.498; 11.715; 17.071
90; 90; 90
2299.4Liu, Chun-Li; Wei, Xu; Huang, Qiu-Ying; Meng, Xiang-Ru
Syntheses, structures and properties of two new isostructural zinc(II) complexes based on 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole
Acta Crystallographica Section C, 2016, 72, 917-922
2020649 CIF
HKL
C20 H18 I2 N10 ZnP b c n11.729; 11.853; 17.563
90; 90; 90
2441.7Liu, Chun-Li; Wei, Xu; Huang, Qiu-Ying; Meng, Xiang-Ru
Syntheses, structures and properties of two new isostructural zinc(II) complexes based on 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole
Acta Crystallographica Section C, 2016, 72, 917-922
2020653 CIF
HKL
Paper
C24 H16 N4P 1 21/n 112.3897; 8.794; 17.1791
90; 108.369; 90
1776.38Granifo, Juan; Arévalo, Beatriz; Gaviño, Rubén; Suárez, Sebastián; Baggio, Ricardo
Structural and theoretical characterization of a new twisted 4'-substituted terpyridine compound: 4'-(isoquinolin-4-yl)-2,2':6',2''-terpyridine
Acta Crystallographica Section C, 2016, 72, 932-938
2020654 CIF
HKL
Paper
C56 H66 Cd N14 O22 S2P -110.8873; 11.4736; 13.4521
87.806; 88.438; 69.247
1570Yuan, Gan-Yin; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin
Synthesis and characterization of a cadmium(II)‒organic supramolecular coordination compound based on the multifunctional 2-amino-5-sulfobenzoic acid ligand
Acta Crystallographica Section C, 2016, 72, 939-946
2020655 CIF
HKL
Paper
C34 H28 Ag2 Cl4 N4 O4C 1 2/c 136.3376; 9.6778; 9.4818
90; 93.86; 90
3326.9Hamamci Alisir, Sevim; Dege, Necmi
A new antibacterial silver(I) complex incorporating 2,5-dimethylpyrazine and the anti-inflammatory diclofenac
Acta Crystallographica Section C, 2016, 72, 947-951
2020656 CIF
HKL
Paper
C20 H6 I2 N4P n a 218.766; 12.2655; 16.4903
90; 90; 90
1773.03Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S.
Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene
Acta Crystallographica Section C, 2016, 72, 923-931
2020657 CIF
HKL
C27 H11 I2 N4P 1 21/n 113.7727; 8.5843; 20.5752
90; 105.115; 90
2348.4Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S.
Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene
Acta Crystallographica Section C, 2016, 72, 923-931
2020658 CIF
HKL
C28 H11 I2 N4P -18.7758; 12.0214; 13.3155
66.461; 74.489; 74.462
1220.2Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S.
Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene
Acta Crystallographica Section C, 2016, 72, 923-931
2020659 CIF
HKL
C46 H16 I4 N8 S4P -18.615; 11.631; 12.45
80.247; 74.695; 70.392
1129Ren, Yi; Lee, Semin; Bertke, Jeffery; Gray, Danielle L.; Moore, Jeffrey S.
Synthesis and structures of 11,11,12,12-tetracyano-2,6-diiodo-9,10-anthraquinodimethane and its 2:1 cocrystals with anthracene, pyrene and tetrathiafulvalene
Acta Crystallographica Section C, 2016, 72, 923-931
2020660 CIF
HKL
Paper
C34 H50 Cl6 N2 O5I 1 2/a 114.8441; 13.2872; 21.0311
90; 105.191; 90
4003.2Cai, Xiao-Qing; Tian, Bei; Zhang, Jian-Nan; Jin, Zhi-Min
The hydrogen-bonded complex bis(<i>tert</i>-butylammonium) 2,6-dichlorophenolate 2,4-dichlorophenol‒2,4-dichlorophenolate tetrahydrofuran disolvate containing a chiral <i>R</i>~5~^3^(10) hydrogen-bonded ring as a supramolecular synthon
Acta Crystallographica Section C, 2016, 72, 720-723
2020663 CIF
HKL
Paper
Br9 H9 O3 Sb2P 1 21/n 113.4679; 7.6319; 19.1397
90; 90.24; 90
1967.27Chang, Jen-Hui; Doert, Thomas; Ruck, Michael
(H~3~O)~3~Sb~2~Br~9~: the first member of the <i>M</i>~3~<i>E</i>~2~<i>X</i>~9~ structure family with oxonium cations
Acta Crystallographica Section C, 2016, 72, 966-970
2020664 CIF
HKL
Paper
C24 H20 Ag2 N8 ZnP -19.713; 10.334; 14.717
96.909; 101.43; 110.323
1328.7Krinchampa, Pattiya; Chainok, Kittipong; Phengthaisong, Siriporn; Youngme, Sujittra; Kielar, Filip; Wannarit, Nanthawat
A novel one-dimensional double-chain-like Zn^II^ coordination polymer: poly[bis(1-benzyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)tris(μ-cyanido-κ^2^<i>C</i>:<i>N</i>)(cyanido-κ<i>C</i>)disilver(I)zinc(II)]
Acta Crystallographica Section C, 2016, 72, 960-965
2020665 CIF
HKL
Paper
C22 H28 N4 O4P 1 21/c 130.904; 9.3351; 14.353
90; 90.222; 90
4140.7Chia, Tze Shyang; Quah, Ching Kheng
Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder
Acta Crystallographica Section C, 2016, 72, 971-980
2020666 CIF
HKL
Paper
C22 H28 N4 O4P 1 21/c 130.92; 9.3363; 14.3462
90; 90.314; 90
4141.4Chia, Tze Shyang; Quah, Ching Kheng
Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder
Acta Crystallographica Section C, 2016, 72, 971-980
2020667 CIF
HKL
Paper
C22 H28 N4 O4P 1 21/c 130.975; 9.3542; 14.3524
90; 90.149; 90
4158.5Chia, Tze Shyang; Quah, Ching Kheng
Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder
Acta Crystallographica Section C, 2016, 72, 971-980
2020668 CIF
HKL
Paper
C22 H28 N4 O4P 1 21/c 130.9991; 9.3611; 14.3546
90; 90.0906; 90
4165.5Chia, Tze Shyang; Quah, Ching Kheng
Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder
Acta Crystallographica Section C, 2016, 72, 971-980
2020669 CIF
HKL
Paper
C22 H28 N4 O4P 1 21/c 131.0071; 9.3634; 14.3544
90; 90.0656; 90
4167.5Chia, Tze Shyang; Quah, Ching Kheng
Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder
Acta Crystallographica Section C, 2016, 72, 971-980
2020670 CIF
HKL
Paper
C22 H28 N4 O4P c c n31.0109; 9.3651; 14.3551
90; 90; 90
4169Chia, Tze Shyang; Quah, Ching Kheng
Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder
Acta Crystallographica Section C, 2016, 72, 971-980
2020671 CIF
HKL
Paper
C22 H28 N4 O4P c c n31.0133; 9.3657; 14.354
90; 90; 90
4169.3Chia, Tze Shyang; Quah, Ching Kheng
Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder
Acta Crystallographica Section C, 2016, 72, 971-980
2020672 CIF
HKL
Paper
C22 H28 N4 O4P c c n31.0259; 9.3706; 14.3567
90; 90; 90
4173.9Chia, Tze Shyang; Quah, Ching Kheng
Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder
Acta Crystallographica Section C, 2016, 72, 971-980
2020673 CIF
HKL
Paper
C22 H28 N4 O4P c c n31.3604; 9.5095; 14.4182
90; 90; 90
4299.8Chia, Tze Shyang; Quah, Ching Kheng
Monoclinic-to-orthorhombic phase transition of the hexamethylenetetramine‒2-methylbenzoic acid (1/2) cocrystal with temperature-dependent dynamic molecular disorder
Acta Crystallographica Section C, 2016, 72, 971-980
2020674 CIF
HKL
Paper
C31 H29 N O8 S4P 1 21/c 114.113; 12.2433; 18.8793
90; 105.68; 90
3140.75Yang, Yunxia; Li, Lihua; Zhang, Li; Dong, Wenjing; Ding, Keying
Three polymorphs of an inclusion compound of 2,2'-(disulfanediyl)dibenzoic acid and trimethylamine
Acta Crystallographica Section C, 2016, 72, 981-989
2020675 CIF
HKL
C68 H76 N4 O16 S8C 1 2/c 131.7088; 11.5254; 23.2263
90; 123.43; 90
7083.9Yang, Yunxia; Li, Lihua; Zhang, Li; Dong, Wenjing; Ding, Keying
Three polymorphs of an inclusion compound of 2,2'-(disulfanediyl)dibenzoic acid and trimethylamine
Acta Crystallographica Section C, 2016, 72, 981-989
2020676 CIF
HKL
C17 H19 N O4 S2C 1 2/c 113.5363; 12.1071; 22.1248
90; 96.532; 90
3602.39Yang, Yunxia; Li, Lihua; Zhang, Li; Dong, Wenjing; Ding, Keying
Three polymorphs of an inclusion compound of 2,2'-(disulfanediyl)dibenzoic acid and trimethylamine
Acta Crystallographica Section C, 2016, 72, 981-989
2020677 CIF
HKL
Paper
C50 H80 Mg2 N4 O2 Si4P -110.4898; 11.3067; 12.737
76.033; 66.454; 81.772
1342.1Rood, Jeffrey A.; Landis, Ashley M.; Forster, Daniel R.; Goldkamp, Timothy; Oliver, Allen G.
Solvent dependence of the solid-state structures of salicylaldiminate magnesium amide complexes
Acta Crystallographica Section C, 2016, 72, 990-996
2020678 CIF
HKL
C69 H91 Mg N5 O2C 1 2/c 131.633; 13.4541; 17.467
90; 122.934; 90
6239.2Rood, Jeffrey A.; Landis, Ashley M.; Forster, Daniel R.; Goldkamp, Timothy; Oliver, Allen G.
Solvent dependence of the solid-state structures of salicylaldiminate magnesium amide complexes
Acta Crystallographica Section C, 2016, 72, 990-996
2020679 CIF
HKL
Paper
C20 H29 Cl N4 O7 SP 1 21/c 117.0284; 7.8695; 22.0555
90; 126.512; 90
2375.5Beloborodova, Alina A.; Minkov, Vasily S.; Boldyreva, Elena V.
A new solvate of furosemide with dimethylacetamide
Acta Crystallographica Section C, 2016, 72, 997-1001
2020680 CIF
HKL
C24 H26 N12 O5 ZnP b c n13.861; 10.521; 18.634
90; 90; 90
2717.4Liu, Chun-Li; Huang, Qiu-Ying; Meng, Xiang-Ru
A one-dimensional zinc(II) coordination polymer with a three-dimensional supramolecular architecture incorporating 1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-tetrazole and adipate
Acta Crystallographica Section C, 2016, 72, 1002-1006
2020681 CIF
HKL
Paper
C8 H9 F3 I N OP 1 21/n 17.8651; 9.2595; 14.7958
90; 101.151; 90
1057.19Lu, Norman; Alagesan, Mani; Ho, Chi-Liang; Wei, Rong-Jyun; Kung, Chih-Chieh; Chang, Jung-Shan; Wen, Yuh-Sheng; Liu, Ling-Kang
New fluorous ponytailed 4-[(2,2,2-trifluoroethoxy)methyl]pyridinium halide salts
Acta Crystallographica Section C, 2016, 72, 1007-1011
2020682 CIF
HKL
C8 H9 Cl F3 N OP b c a9.2236; 13.5704; 15.86
90; 90; 90
1985.16Lu, Norman; Alagesan, Mani; Ho, Chi-Liang; Wei, Rong-Jyun; Kung, Chih-Chieh; Chang, Jung-Shan; Wen, Yuh-Sheng; Liu, Ling-Kang
New fluorous ponytailed 4-[(2,2,2-trifluoroethoxy)methyl]pyridinium halide salts
Acta Crystallographica Section C, 2016, 72, 1007-1011
2020684 CIF
HKL
Paper
C10 H9 I N2P 21 21 218.7561; 9.0016; 12.8869
90; 90; 90
1015.73Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric
C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives
Acta Crystallographica Section C, 2017, 73, 2-8
2020685 CIF
HKL
C10 H9 I N2P 1 21/n 18.4574; 6.1526; 19.4261
90; 96.362; 90
1004.61Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric
C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives
Acta Crystallographica Section C, 2017, 73, 2-8
2020686 CIF
HKL
C14 H11 I N2P -16.4606; 8.2346; 12.3451
108.064; 94.174; 95.366
618.05Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric
C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives
Acta Crystallographica Section C, 2017, 73, 2-8
2020687 CIF
HKL
Paper
C17 H19 N5 O2 SP n a 2130.5388; 8.0984; 15.081
90; 90; 90
3729.76Patel, Urmila H.; Purohit, Ketankumar P.
Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine
Acta Crystallographica Section C, 2017, 73, 9-12
2020688 CIF
HKL
C18 H21 N5 O2 SP 21 21 219.692; 25.1673; 7.9853
90; 90; 90
1947.79Patel, Urmila H.; Purohit, Ketankumar P.
Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine
Acta Crystallographica Section C, 2017, 73, 9-12
2020689 CIF
HKL
C6 H9 N3 SP n a 218.843; 17.485; 5.041
90; 90; 90
779.4Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian
Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core
Acta Crystallographica Section C, 2017, 73, 36-46
2020690 CIF
HKL
C12 H18 Cu2 N8 O6 S2P -17.235; 7.548; 10.297
105.42; 98.15; 112.43
482Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian
Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core
Acta Crystallographica Section C, 2017, 73, 36-46
2020691 CIF
HKL
C12 H18 B2 Cu2 F8 N6 S2P -17.754; 7.965; 10.372
67.57; 89.99; 61.07
504.6Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian
Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core
Acta Crystallographica Section C, 2017, 73, 36-46
2020692 CIF
HKL
C10 H16 Cu2 N8 O7 S4P 1 21/c 17.379; 18.78; 14.702
90; 94.82; 90
2030.2Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian
Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core
Acta Crystallographica Section C, 2017, 73, 36-46
2020693 CIF
HKL
C11 H19.5 Cu2 F6 N6.5 O3 S4 SiP 1 21/n 111.899; 11.442; 17.678
90; 102.04; 90
2353.9Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian
Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core
Acta Crystallographica Section C, 2017, 73, 36-46
2020694 CIF
HKL
C23 H30 Cu2 N6 O8 S6P 1 21/c 114.944; 16.587; 14.658
90; 117.91; 90
3210.7Ardan, Bohdan; Kinzhybalo, Vasyl; Slyvka, Yurii; Shyyka, Olga; Luk`yanov, Mykhaylo; Lis, Tadeusz; Mys`kiv, Marian
Ligand-forced dimerization of copper(I)‒olefin complexes bearing a 1,3,4-thiadiazole core
Acta Crystallographica Section C, 2017, 73, 36-46
2020695 CIF
HKL
Paper
C19 H19 N O SP 1 21 111.4261; 8.1847; 16.8243
90; 93.067; 90
1571.14Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher
Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation
Acta Crystallographica Section C, 2017, 73, 28-35
2020696 CIF
HKL
Paper
C20 H21 N O SC 1 2/c 118.1021; 12.4436; 14.8429
90; 97.645; 90
3313.7Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher
Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation
Acta Crystallographica Section C, 2017, 73, 28-35
2020697 CIF
HKL
Paper
C22 H20 Cl N O3P -16.8533; 10.612; 13.561
72.45; 75.84; 82.46
910Mateus-Ruíz, Jeferson B.; Acosta Quintero, Lina M.; Palma, Alirio; Macías, Mario A.; Cobo, Justo; Glidewell, Christopher
Three tetracyclic dibenzoazepine derivatives exhibiting different molecular conformations, different patterns of intermolecular hydrogen bonding and different modes of supramolecular aggregation
Acta Crystallographica Section C, 2017, 73, 28-35
2020698 CIF
HKL
Paper
C45 H52 N4 O9 RuC 1 2/c 139.3876; 9.6153; 29.5299
90; 130.719; 90
8476.3Andreev, Sergey V.; Zverev, Sergey A.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Fitch, Andrew N.; Chernyshev, Vladimir V.
Polymeric structure of a coproporphyrin I ruthenium(II) complex: a powder diffraction study
Acta Crystallographica Section C, 2017, 73, 47-51
2020699 CIF
HKL
Paper
C16 H16 N2 O3 SP -16.545; 9.3526; 12.782
94.047; 93.143; 95.735
775.05Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław; Becker, Barbara
Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea
Acta Crystallographica Section C, 2017, 73, 52-56
2020700 CIF
HKL
Paper
C11 H14 N2 O2 SP 1 21/c 122.415; 8.1479; 13.4592
90; 102.618; 90
2398.8Okuniewski, Andrzej; Rosiak, Damian; Chojnacki, Jarosław; Becker, Barbara
Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea
Acta Crystallographica Section C, 2017, 73, 52-56
2020701 CIF
HKL
C15 H29 B N O6 PP 1 21/c 18.437; 23.5403; 10.3281
90; 98.1871; 90
2030.35Zhang, Rui; Zhang, Yundi; Ge, Chunhua; Miao, Jinpeng; Zhang, Xiangdong
Two closely related {4-[(<i>N</i>-substituted amino)(diethoxyphosphoryl)methyl]phenyl}boronic acids
Acta Crystallographica Section C, 2017, 73, 57-60
2020702 CIF
HKL
C17 H22 B N2 O7 PP b c n10.259; 14.5721; 27.577
90; 90; 90
4122.6Zhang, Rui; Zhang, Yundi; Ge, Chunhua; Miao, Jinpeng; Zhang, Xiangdong
Two closely related {4-[(<i>N</i>-substituted amino)(diethoxyphosphoryl)methyl]phenyl}boronic acids
Acta Crystallographica Section C, 2017, 73, 57-60
2020704 CIF
HKL
Paper
C38 H47 N5 PdC 1 2/c 129.525; 4.94; 25.663
90; 117.225; 90
3328.4Erzina, Dina R.; Zamilatskov, Ilya A.; Kurochkina, Nadezhda M.; Ponomarev, Gelii V.; Tafeenko, Victor A.
Structural explanation of the spectral features of the nonsymmetrical complex {2,3,7,8,12,13,17,18-octaethyl-5-[(methylimino)methyl]porphyrinato-κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^}palladium(II)
Acta Crystallographica Section C, 2017, 73, 68-71
2020705 CIF
HKL
Paper
C28 H16 N4 O8 Zn2C 1 2/c 19.4371; 18.909; 14.4981
90; 104.162; 90
2508.5Su, Feng; Lu, Liping; Zhou, Chengyong; Wang, Xiaoxia; Sun, Long; Han, Chun
A three-dimensional Zn^II^ coordination polymer constructed from 1,1'-biphenyl-2,2',4,4'-tetracarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands exhibiting photoluminescence
Acta Crystallographica Section C, 2017, 73, 72-77
2020706 CIF
HKL
Paper
C12 H16 N2 O2 S2P n a 2112.8212; 10.5085; 10.6608
90; 90; 90
1436.35Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.
Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid
Acta Crystallographica Section C, 2017, 73, 84-90
2020707 CIF
HKL
C16 H16 N2 O2 S2P 1 21/c 113.2762; 12.6138; 10.1742
90; 108.597; 90
1614.84Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.
Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid
Acta Crystallographica Section C, 2017, 73, 84-90
2020708 CIF
HKL
C25 H28 N2 O3 S2P -18.795; 10.254; 14.044
74.95; 76.74; 88.99
1189.3Szczesio, Małgorzata; Olczak, Andrzej; Mazerant, Ida; Gobis, Katarzyna; Foks, Henryk; Główka, Marek L.
Planarity of benzoylthiocarbazate tuberculostatics. III. Diesters of 3-(2-hydroxybenzoyl)dithiocarbazic acid
Acta Crystallographica Section C, 2017, 73, 84-90
2020709 CIF
Paper
C22 H26 N4 O4 ZnP 1 21/n 19.491; 18.7233; 11.9855
90; 101.315; 90
2088.5Tan, Xiong-Wen; Li, Heng-Feng; Li, Chang-Hong
Two new isomeric zinc(II) metal‒organic frameworks based on 1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane and 5-methylisophthalate ligands
Acta Crystallographica Section C, 2017, 73, 78-83
2020710 CIFC31 H32 N4 O8 Zn2P 1 21/n 111.1005; 17.486; 16.372
90; 95.625; 90
3162.6Tan, Xiong-Wen; Li, Heng-Feng; Li, Chang-Hong
Two new isomeric zinc(II) metal‒organic frameworks based on 1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane and 5-methylisophthalate ligands
Acta Crystallographica Section C, 2017, 73, 78-83
2020713 CIF
HKL
C28 H28 Cu N10 O7P -110.174; 12.538; 13.665
63.45; 77.06; 73.02
1482.4Li, Jian-Hua; Zhu, Meng-Di; Huang, Qiu-Ying
A new one-dimensional Cu^II^ complex with a three-dimensional supramolecular architecture incorporating benzene-1,3-dicarboxylate and 1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-1<i>H</i>-imidazole
Acta Crystallographica Section C, 2017, 73, 91-96
2020714 CIFCr D20 N2 O14 S2P 1 21/a 19.488; 12.816; 6.097
90; 107.11; 90
708.6Figgis, Brian N.; Kucharski, Edward S.; Forsyth, J. Bruce
The structure of (ND4)2Cr(SO4)2.6D2O at 4.3 K by neutron diffraction
Acta Crystallographica Section C, 1991, 47, 419-421
2020715 CIF
HKL
C20 H21 N2 O PP n a 2117.4366; 22.7127; 8.8598
90; 90; 90
3508.77Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane
Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study
Acta Crystallographica Section C, 2017, 73
2020716 CIF
HKL
C16 H20 N O PP -4 21 c18.7952; 18.7952; 8.5279
90; 90; 90
3012.56Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane
Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study
Acta Crystallographica Section C, 2017, 73
2020717 CIF
HKL
C22 H27 N2 O2 PP 21 21 215.3629; 13.726; 27.8653
90; 90; 90
2051.2Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane
Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study
Acta Crystallographica Section C, 2017, 73
2020718 CIF
HKL
C20 H22 N O2 PP 1 21/c 16.0483; 18.854; 15.4364
90; 97.231; 90
1746.28Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane
Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study
Acta Crystallographica Section C, 2017, 73
2020719 CIF
HKL
Paper
C54 H45 Cu F6 N5 P3P 1 21/n 113.0725; 12.3992; 30.0047
90; 99.734; 90
4793.4Báez-Castro, Alberto; Baldenebro-López, Jesús; Ceballos-Mendivil, Laura; Román-Bravo, Perla P.; Höpfl, Herbert; Miranda-Soto, Valentín; Glossman-Mitnik, Daniel; Cruz-Enríquez, Adriana; Campos-Gaxiola, José J.
Synthesis, crystal structure, DFT studies and photophysical properties of a copper(I)‒triphenylphosphane complex based on <i>trans</i>-(±)-2,4,5-tris(pyridin-2-yl)-2-imidazoline
Acta Crystallographica Section C, 2017, 73
2020720 CIF
HKL
Paper
C21 H19 F4 N3 O2 SP b c a19.7282; 9.7644; 20.7157
90; 90; 90
3990.5Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher
Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions
Acta Crystallographica Section C, 2017, 73, 298-304
2020721 CIF
HKL
Paper
C21 H19 Cl F3 N3 O2 SP 21 21 215.4468; 11.4102; 34.3009
90; 90; 90
2131.77Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher
Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions
Acta Crystallographica Section C, 2017, 73, 298-304
2020722 CIF
HKL
Paper
C22 H22 F3 N3 O2 SP 1 21/n 113.8408; 8.7145; 18.0898
90; 106.47; 90
2092.4Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher
Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions
Acta Crystallographica Section C, 2017, 73, 298-304
2020723 CIF
HKL
Paper
C19 H13 F OP -17.6678; 11.5007; 15.7874
96.249; 96.752; 90.796
1373.84Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions
Acta Crystallographica Section C, 2017, 73, 115-120
2020724 CIF
HKL
Paper
C19 H13 Br OP -15.8714; 7.8616; 15.5954
95.007; 90.218; 92.179
716.58Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions
Acta Crystallographica Section C, 2017, 73, 115-120
2020725 CIF
HKL
Paper
C17 H12 O SP -15.8271; 7.4489; 15.2068
79.745; 84.427; 85.763
645.36Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C—H···π and C—Br···π interactions
Acta Crystallographica Section C, 2017, 73, 115-120
2020726 CIF
HKL
Paper
C20 H34 Cl6 Co3 N6 O2P -17.7669; 9.1516; 12.4114
99.665; 104.29; 93.968
837.1Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.
Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications
Acta Crystallographica Section C, 2017, 73, 104-114
2020727 CIF
HKL
Paper
C12 H32 Cl4 Co2 O4C 1 2/c 116.5619; 9.4778; 15.6842
90; 116.411; 90
2205Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.
Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications
Acta Crystallographica Section C, 2017, 73, 104-114
2020728 CIF
HKL
Paper
C16 H32 Cl4 Co2 O4P 1 21/c 114.733; 9.6318; 15.993
90; 93.737; 90
2264.7Stinghen, Danilo; Rüdiger, André Luis; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.
Cobalt(II) chloride adducts with acetonitrile, propan-2-ol and tetrahydrofuran: considerations on nuclearity, reactivity and synthetic applications
Acta Crystallographica Section C, 2017, 73, 104-114
2020729 CIF
HKL
Paper
C6 H14 N2 O4 SP 1 21/c 110.9626; 10.2601; 8.7673
90; 91.421; 90
985.82Gomathi, V.; Theivarasu, C.
Hydrogen-bonded assemblies in the molecular crystals of 2,2'-thiodiacetic acid with ethylenediamine and <i>o</i>-phenylenediamine
Acta Crystallographica Section C, 2017, 73, 97-103
2020730 CIF
HKL
Paper
C10 H14 N2 O4 SP 1 21/n 14.9006; 12.9808; 18.9837
90; 92.978; 90
1205.99Gomathi, V.; Theivarasu, C.
Hydrogen-bonded assemblies in the molecular crystals of 2,2'-thiodiacetic acid with ethylenediamine and <i>o</i>-phenylenediamine
Acta Crystallographica Section C, 2017, 73, 97-103
2020731 CIF
HKL
Paper
Cd23 Ce6 TeF m -3 m14.1632; 14.1632; 14.1632
90; 90; 90
2841.08Desroches, Griffen; Bobev, Svilen
Synthesis and structure determination of Ce~6~Cd~23~Te: a new chalcogen-containing member of the <i>RE</i>~6~Cd~23~T family (<i>RE</i> is a rare-earth metal and T is a late group 14, 15 and 16 element)
Acta Crystallographica Section C, 2017, 73, 121-125
2020732 CIF
HKL
Paper
C25.5 H28 N2 O7 SP 41 21 212.98; 12.98; 29.734
90; 90; 90
5009.6Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua
The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020733 CIF
HKL
Paper
C23 H26 Cl2 N2 O7 SP 41 21 213.171; 13.171; 29.524
90; 90; 90
5122Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua
The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020734 CIF
HKL
Paper
C24 H28 N2 O8 SP 41 21 213.0307; 13.0307; 29.754
90; 90; 90
5052.2Wu, Yun-Deng; Zhang, Xiao-Lei; Liu, Xiao-Hong; Xu, Jian; Zhang, Mei; Shen, Kun; Zhang, Si-Han; He, Yong-Mei; Ma, Yan; Zhang, Ai-Hua
The preparation, characterization, structure and dissolution analysis of apremilast solvatomorphs
Acta Crystallographica Section C Structural Chemistry, 2017, 73
2020735 CIF
HKL
C20 H18 Br2 Hg N10P b c n11.756; 11.764; 17.407
90; 90; 90
2407.3Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru
Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties
Acta Crystallographica Section C, 2017, 73
2020736 CIF
HKL
C20 H18 Hg I2 N10P b c n12.103; 11.827; 17.862
90; 90; 90
2556.8Wei, Xu; Li, Jian-Hua; Huang, Qiu-Ying; Meng, Xiang-Ru
Two new isostructural mercury(II) complexes involving the N-heterocyclic 1-[(benzotriazol-1-yl)methyl]-1<i>H</i>-1,3-imidazole ligand: syntheses, structures and properties
Acta Crystallographica Section C, 2017, 73
2020737 CIF
HKL
Paper
C30 H18 N4 SP 18.3617; 8.7261; 8.859
104.451; 94.187; 112.344
568.69Averkiev, Boris B.; Davydenko, Iryna; Wang, Xu; Barlow, Stephen; Marder, Seth R.
Crystal structure of 5,6-bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole: distortion from a hypothetical higher-symmetry structure
Acta Crystallographica Section C, 2017, 73, 319-324
2020738 CIF
Paper
C30 H18.25 N4 O0.12 SC 1 2/c 128.338; 12.9466; 26.799
90; 113.336; 90
9027.8Averkiev, Boris B.; Davydenko, Iryna; Wang, Xu; Barlow, Stephen; Marder, Seth R.
Crystal structure of 5,6-bis(9<i>H</i>-carbazol-9-yl)benzo[<i>c</i>][1,2,5]thiadiazole: distortion from a hypothetical higher-symmetry structure
Acta Crystallographica Section C, 2017, 73, 319-324
2020740 CIF
HKL
Paper
C6 H9 As Cl N O3P 1 21/c 116.6534; 7.4129; 7.6073
90; 97.795; 90
930.44Smith, Graham; Wermuth, Urs D.
Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride
Acta Crystallographica Section C, 2017, 73
2020741 CIF
HKL
Paper
C12 H34 As2 Cu N2 O22 S2P 1 21/c 115.0784; 11.2302; 8.6756
90; 99.305; 90
1449.74Smith, Graham; Wermuth, Urs D.
Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride
Acta Crystallographica Section C, 2017, 73
2020742 CIF
HKL
Paper
C12 H18 As2 Cl4 Cu N2 O6P b c a7.6315; 7.1244; 38.0925
90; 90; 90
2071.08Smith, Graham; Wermuth, Urs D.
Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride
Acta Crystallographica Section C, 2017, 73
2020743 CIF
HKL
Paper
C12 H18 As2 Cd Cl4 N2 O6P b c a7.5525; 7.2578; 38.5872
90; 90; 90
2115.14Smith, Graham; Wermuth, Urs D.
Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride
Acta Crystallographica Section C, 2017, 73
2020745 CIF
HKL
Paper
C9 H10 Cl F4 N OP 1 21/c 14.7874; 8.2086; 27.2894
90; 92.803; 90
1071.13Lu, Norman; Wei, Rong-Jyun; Lin, Kwan-Yu; Alagesan, Mani; Wen, Yuh-Sheng; Liu, Ling-Kang
Weak hydrogen bonding and fluorous interactions in the chloride and bromide salts of 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridinium
Acta Crystallographica Section C, 2017, 73
2020746 CIF
HKL
C9 H10 Br F4 N OP 1 21/c 14.7977; 8.3123; 27.739
90; 92.646; 90
1105.05Lu, Norman; Wei, Rong-Jyun; Lin, Kwan-Yu; Alagesan, Mani; Wen, Yuh-Sheng; Liu, Ling-Kang
Weak hydrogen bonding and fluorous interactions in the chloride and bromide salts of 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridinium
Acta Crystallographica Section C, 2017, 73
2020747 CIF
HKL
Al4 Li9 Sn5P -3 m 14.717; 4.717; 17.077
90; 90; 120
329.06Pavlyuk, Volodymyr; Dmytriv, Grygoriy; Tarasiuk, Ivan; Ehrenberg, Helmut
Li~9~Al~4~Sn~5~ as a new ordered superstructure of the Li~13~Sn~5~ type
Acta Crystallographica Section C, 2017, 73
2020748 CIF
HKL
Paper
C15 H8 Cl Mn N2 O3 SP 1 21/c 115.008; 11.798; 9.0384
90; 106.756; 90
1532.4Stenger-Smith, Jenny; Chakraborty, Indranil; Carrington, Samantha; Mascharak, Pradip
Synthesis and structures of photoactive manganese‒carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole
Acta Crystallographica Section C, 2017, 73
2020749 CIF
HKL
C19 H10 Cl Mn N2 O3 SP 1 21/n 19.1239; 16.4292; 12.2101
90; 96.737; 90
1817.64Stenger-Smith, Jenny; Chakraborty, Indranil; Carrington, Samantha; Mascharak, Pradip
Synthesis and structures of photoactive manganese‒carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole
Acta Crystallographica Section C, 2017, 73
2020750 CIFF6 H8 N2 ZrP c a 2113.398; 7.739; 11.68
90; 90; 90
1211.1A. Zalkin; D. Eimerl; S. P. Velsko
Diammonium hexafluorozirconate
Acta Crystallographica, Section C, 1988, 44, 2050-2051
2020757 CIF
HKL
Paper
C14 H36 Cl2 Co N4 O2P 1 21/c 18.2864; 17.0679; 13.9733
90; 90.735; 90
1976.1Van Heuvelen, Katherine M.; Lee, Isabell; Arriola, Katherine; Griffin, Rilke; Ye, Christopher; Takase, Michael K.
Crystal structure and spectroscopic characterization of a cobalt(II) tetraazamacrocycle: completing a series of first-row transition-metal complexes
Acta Crystallographica Section C, 2017, 73
2020758 CIF
HKL
Paper
C16 H14 B Li O7P 1 21 16.5592; 9.1328; 13.7163
90; 93.9; 90
819.76Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.
Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization
Acta Crystallographica Section C, 2017, 73

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