Crystallography Open Database
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Searching journal of publication like 'CrystEngComm' volume of publication is 21
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1551207 | CIF | C67 H117 N Si2 | C 1 2/c 1 | 34.673; 12.09; 17.728 90; 119.214; 90 | 6486.2 | Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage CrystEngComm, 2019, 21, 3910 |
1551208 | CIF | C19 H27 N Si2 | P 1 21/n 1 | 15.104; 6.317; 20.8662 90; 96.345; 90 | 1978.7 | Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage CrystEngComm, 2019, 21, 3910 |
7231067 | CIF | C26 H37 N11 O7 | P 1 21/n 1 | 7.5056; 25.0862; 15.2376 90; 93.195; 90 | 2864.58 | Hasa, Dritan; Pastore, Mariana; Arhangelskis, Mihails; Gabriele, Benjamin; Cruz-Cabeza, Aurora J.; Rauber, Gabriela Schneider; Bond, Andrew D.; Jones, William On the kinetics of solvate formation through mechanochemistry CrystEngComm, 2019, 21, 2097 |
7231068 | CIF | C11 H15 N5 O3 | P -1 | 6.6482; 8.7311; 10.9852 82.631; 84.273; 83.701 | 626.18 | Hasa, Dritan; Pastore, Mariana; Arhangelskis, Mihails; Gabriele, Benjamin; Cruz-Cabeza, Aurora J.; Rauber, Gabriela Schneider; Bond, Andrew D.; Jones, William On the kinetics of solvate formation through mechanochemistry CrystEngComm, 2019, 21, 2097 |
7231305 | CIF | C26 H24 Cl N5 O3 S | P 1 21/n 1 | 7.2851; 9.0281; 38.51 90; 95.23; 90 | 2522.3 | Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study CrystEngComm, 2019, 21, 2043 |
7231306 | CIF | C26 H24 Cl N5 O3 S | P 1 21/c 1 | 7.3151; 8.937; 38.9526 90; 93.702; 90 | 2541.21 | Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study CrystEngComm, 2019, 21, 2043 |
7231307 | CIF | C22 H23 Cl N4 O4 S | P 1 21/c 1 | 7.765; 8.741; 34.52 90; 93.96; 90 | 2337 | Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study CrystEngComm, 2019, 21, 2043 |
7231308 | CIF | C28 H24 Cl N5 O3 S | P 1 21/c 1 | 7.1759; 9.4074; 39.0523 90; 93.389; 90 | 2631.68 | Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study CrystEngComm, 2019, 21, 2043 |
7231309 | CIF | C28 H28 Cl N5 O4 S | P -1 | 12.2238; 14.8267; 16.2328 93.228; 107.264; 90.122 | 2804.46 | Allu, Suryanarayana; Suresh, Kuthuru; Bolla, Geetha; Mannava, M. K. Chaitanya; Nangia, Ashwini Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study CrystEngComm, 2019, 21, 2043 |
7231360 | CIF | C19 H19 N5 O5 S2 | P b c a | 10.4993; 16.0117; 25.1481 90; 90; 90 | 4227.7 | Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs CrystEngComm, 2019, 21, 2089 |
7231361 | CIF | C19 H19 N5 O5 S2 | P 1 21/c 1 | 8.0291; 17.5002; 14.6076 90; 107.827; 90 | 1953.97 | Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs CrystEngComm, 2019, 21, 2089 |
7231714 | CIF | C52 H88 Br2 Cl2 N6 O2 | P 1 21/n 1 | 8.9461; 16.1753; 20.8774 90; 100.396; 90 | 2971.5 | Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm, 2019, 21, 65 |
7231715 | CIF | C72 H104 Cl4 N10 O8 S | P 1 21/c 1 | 18.1061; 13.5141; 17.5192 90; 111.113; 90 | 3999 | Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm, 2019, 21, 65 |
7231716 | CIF | C52 H88 Br2 Cl2 N6 O2 | P 1 21/n 1 | 9.0143; 15.6469; 21.0997 90; 98.821; 90 | 2940.8 | Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm, 2019, 21, 65 |
7231717 | CIF | C56 H94 Br2 N6 O6 | P 1 21/c 1 | 13.2635; 16.5661; 28.231 90; 93.852; 90 | 6189 | Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm, 2019, 21, 65 |
7231718 | CIF | C56 H94 Cl2 N6 O6 | P 1 21/c 1 | 13.2862; 16.574; 28.0803 90; 93.874; 90 | 6169.3 | Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm, 2019, 21, 65 |
7231719 | CIF | C54 H90 Cl2 N6 O8 | P -1 | 8.4539; 10.2145; 18.1488 92.095; 99.967; 107.977 | 1461.4 | Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm, 2019, 21, 65 |
7231720 | CIF | C52 H88 Br4 N6 O2 | P 1 21/n 1 | 8.9473; 16.101; 21.153 90; 100.9; 90 | 2992.3 | Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm, 2019, 21, 65 |
7231721 | CIF | C58 H104 Br2 N8 O12 S2 | P -1 | 8.2364; 10.9069; 20.0064 85.053; 79.089; 81.371 | 1741.7 | Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm, 2019, 21, 65 |
7231722 | CIF | C52 H92 Cl2 N6 O10 P2 | P -1 | 8.4459; 11.6202; 15.6367 82.597; 83.548; 86.964 | 1511.05 | Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm, 2019, 21, 65 |
7231736 | CIF | C20 H14 Hg N6 O S2 | C 1 2/c 1 | 28.861; 9.191; 17.149 90; 111.76; 90 | 4224.8 | Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer CrystEngComm, 2019, 21, 108 |
7231737 | CIF | C15 H12 Hg N6 O S2 | P 1 21/c 1 | 12.9176; 7.7756; 17.4321 90; 93.026; 90 | 1748.48 | Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer CrystEngComm, 2019, 21, 108 |
7231754 | CIF | C6 H12 O2 | P 1 21/c 1 | 7.309; 16.54; 6.169 90; 108.823; 90 | 705.9 | Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction CrystEngComm, 2019, 21, 41 |
7231755 | CIF | C12 H24 O2 | P -1 | 5.568; 7.214; 31.782 89.956; 85.324; 89.866 | 1272.4 | Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction CrystEngComm, 2019, 21, 41 |
7231756 | CIF | C9 H18 O2 | P b c n | 50.25; 7.055; 5.609 90; 90; 90 | 1988 | Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction CrystEngComm, 2019, 21, 41 |
7231757 | CIF | C10 H20 O2 | P -1 | 5.565; 7.183; 27.043 90.145; 91.445; 90.099 | 1080.7 | Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction CrystEngComm, 2019, 21, 41 |
7231758 | CIF | C8 H16 O2 | P 1 21/n 1 | 9.173; 5.6554; 17.357 90; 104.928; 90 | 870 | Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction CrystEngComm, 2019, 21, 41 |
7231759 | CIF | C13 H26 O2 | P b c n | 67.94; 7.1161; 5.5638 90; 90; 90 | 2689.9 | Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction CrystEngComm, 2019, 21, 41 |
7231760 | CIF | C7 H14 O2 | C 1 2/c 1 | 38.19; 4.088; 9.951 90; 90.206; 90 | 1553.5 | Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction CrystEngComm, 2019, 21, 41 |
7231761 | CIF | C14 H28 O2 | P -1 | 5.5474; 7.1923; 36.076 89.983; 89.626; 89.903 | 1439.3 | Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction CrystEngComm, 2019, 21, 41 |
7231762 | CIF | C11 H22 O2 | P b c n | 58.86; 7.1; 5.574 90; 90; 90 | 2329.4 | Prathapa, Siriyara Jagannatha; Slabbert, Cara; Fernandes, Manuel A.; Lemmerer, Andreas Structure determination of fatty acid ester biofuels via in situ cryocrystallisation and single crystal X-ray diffraction CrystEngComm, 2019, 21, 41 |
7231779 | CIF | C48 H31 O13.5 Zn4 | C 1 2/m 1 | 24.47; 24.029; 17.149 90; 90.869; 90 | 10082 | Bryant, Macguire R.; Ablott, Timothy A.; Telfer, Shane G.; Liu, Lujia; Richardson, Christopher High temperature expulsion of thermolabile groups for pore-space expansion in metal‒organic frameworks CrystEngComm, 2019, 21, 60 |
7231792 | CIF | C7 H10 F N2 O5 | P -1 | 5.06; 6.392; 15.823 87.32; 83.9; 71.23 | 481.8 | Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus Co-crystallization and polymorphic behaviour of 5-fluorouracil CrystEngComm, 2019, 21, 2130 |
7231793 | CIF | C6 H8 F N2 O5 | P -1 | 5.443; 5.845; 14.47 92.228; 94.392; 110.98 | 427.5 | Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus Co-crystallization and polymorphic behaviour of 5-fluorouracil CrystEngComm, 2019, 21, 2130 |
7231794 | CIF | C23 H28 N4 O3 | P 1 21/n 1 | 13.215; 10.327; 16.162 90; 93.56; 90 | 2201.4 | Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence CrystEngComm, 2019, 21, 94 |
7231795 | CIF | C50 H56 N10 S4 Zn | C 1 2/c 1 | 20.941; 11.461; 22.337 90; 107.49; 90 | 5113 | Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence CrystEngComm, 2019, 21, 94 |
7231796 | CIF | C26 H27 Hg N6 S3 | P -1 | 11.226; 11.535; 11.969 108.012; 100.682; 90.099 | 1445.5 | Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence CrystEngComm, 2019, 21, 94 |
7231834 | CIF | C26 H33 N3 O6 | P 1 21 1 | 15.407; 5.8843; 15.664 90; 114.753; 90 | 1289.6 | Giri, Rajat Subhra; Mandal, Bhubaneswar Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association CrystEngComm, 2019, 21, 236 |
7231835 | CIF | C25 H31 N3 O6 | P 1 21 1 | 4.96731; 19.4022; 12.4703 90; 92.486; 90 | 1200.72 | Giri, Rajat Subhra; Mandal, Bhubaneswar Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association CrystEngComm, 2019, 21, 236 |
7231836 | CIF | C28 H18 N4 O5 | P c c n | 19.4892; 21.6795; 10.5043 90; 90; 90 | 4438.2 | Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry CrystEngComm, 2019, 21, 207 |
7231837 | CIF | C35 H34 Cl2 N4 O7 Zn | P 1 2/c 1 | 11.1935; 9.2331; 16.7061 90; 94.587; 90 | 1721.06 | Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry CrystEngComm, 2019, 21, 207 |
7231838 | CIF | C26 H22 Cl4 N4 O6 Zn | P -1 | 9.8295; 10.6901; 13.3737 98.589; 94.244; 97.801 | 1370.28 | Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry CrystEngComm, 2019, 21, 207 |
7231839 | CIF | C26 H18 Cl2 N4 O4 | P -1 | 4.9197; 9.297; 12.906 109.588; 98.253; 91.039 | 549 | Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry CrystEngComm, 2019, 21, 207 |
7231840 | CIF | C28 H19 Cl2 N5 O4 Zn | P n n a | 10.8226; 23.0562; 10.5332 90; 90; 90 | 2628.33 | Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry CrystEngComm, 2019, 21, 207 |
7231841 | CIF | C26 H16 Ag F6 N4 O4 Sb | P 1 21/c 1 | 8.6209; 17.8581; 8.0036 90; 90.903; 90 | 1232.02 | Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry CrystEngComm, 2019, 21, 207 |
7231842 | CIF | C39 H43 N5 O24 Pr2 | P b c n | 11.978; 14.504; 28.647 90; 90; 90 | 4977 | Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping 3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines CrystEngComm, 2019, 21, 694 |
7231843 | CIF | C39 H43 Dy2 N5 O24 | P b c n | 12.0109; 14.1322; 28.639 90; 90; 90 | 4861.2 | Huang, Hong; Gao, Wei; Zhang, Xiu-Mei; Zhou, Ai-Mei; Liu, Jie-Ping 3D LnIII-MOFs: displaying slow magnetic relaxation and highly sensitive luminescence sensing of alkylamines CrystEngComm, 2019, 21, 694 |
7231844 | CIF | C36 H52 Cl4 Cu Na O6 S4 | C 1 2/c 1 | 21.805; 12.6126; 16.2518 90; 107.833; 90 | 4254.8 | Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers CrystEngComm, 2019, 21, 957 |
7231845 | CIF | C68 H46 Cl16 Cu8 N10 S16 | P 1 21/c 1 | 7.8265; 13.197; 44.68 90; 92.759; 90 | 4609.5 | Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers CrystEngComm, 2019, 21, 957 |
7231846 | CIF | C12 H4 Cl4 Cu O Rb S4 | C 1 2/c 1 | 26.295; 3.9413; 17.479 90; 102.299; 90 | 1769.9 | Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers CrystEngComm, 2019, 21, 957 |
7231847 | CIF | C12 H4 Cl4 Cu K O S4 | C 1 2/c 1 | 26.2707; 3.9461; 17.367 90; 102.37; 90 | 1758.58 | Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers CrystEngComm, 2019, 21, 957 |
7231848 | CIF | C36 H52 Cl4 Cu K O6 S4 | P 1 21/n 1 | 12.2137; 12.4992; 15.7574 90; 109.812; 90 | 2263.16 | Amo-Ochoa, Pilar; Castillo, Oscar; Delgado, Esther; Gallut, Ana; Hernández, Elisa; Perles, Josefina; Zamora, Félix Copper dithiolene [Cu(SC6H2Cl2S)2]− units connected to alkaline/copper complexes: from ionic assemblies to discrete molecular entities and coordination polymers CrystEngComm, 2019, 21, 957 |
7231864 | CIF | Al13 H53 O67 S3 | P 1 n 1 | 14.03; 11.502; 17.598 90; 102.18; 90 | 2775.9 | An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions CrystEngComm, 2019, 21, 202 |
7231865 | CIF | Al13 H12 Na O70 S4 | F -4 3 m | 17.779; 17.779; 17.779 90; 90; 90 | 5619.8 | An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions CrystEngComm, 2019, 21, 202 |
7231881 | CIF | C61 H25 Eu2 N O20 | P -1 | 10.593; 15.5318; 21.2702 71.268; 79.79; 85.077 | 3260.1 | Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules CrystEngComm, 2019, 21, 321 |
7231882 | CIF | C61 H30 N O20 Tb2 | P -1 | 10.5886; 15.1959; 21.2747 71.86; 79.293; 82.292 | 3185.7 | Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules CrystEngComm, 2019, 21, 321 |
7231883 | CIF | C61 H25 Dy2 N O20 | P -1 | 10.5924; 15.1775; 21.2599 71.994; 79.331; 82.276 | 3183.38 | Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules CrystEngComm, 2019, 21, 321 |
7231884 | CIF | C68 H25 Gd2 N4 O22 | P -1 | 10.604; 15.2602; 21.269 71.882; 79.392; 82.535 | 3205.4 | Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules CrystEngComm, 2019, 21, 321 |
7231885 | CIF | C6 H35 Ca0 Cu Mo5 N6 O28.5 P2 | C 1 c 1 | 14.8162; 14.5193; 16.0799 90; 109.266; 90 | 3265.4 | Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity CrystEngComm, 2019, 21, 394 |
7231886 | CIF | C12 H78 Cu4 Mo10 N12 O65 P4 | C 1 2/c 1 | 28.685; 18.298; 18.24 90; 122.743; 90 | 8053 | Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity CrystEngComm, 2019, 21, 394 |
7231887 | CIF | C20 H28 Cl3 N3 O3 | P 1 21/n 1 | 7.6961; 10.9153; 27.2368 90; 96.1341; 90 | 2274.93 | Putra, Okky Dwichandra; Pettersen, Anna; Nilsson Lill, Sten O.; Umeda, Daiki; Yonemochi, Etsuo; Nugraha, Yuda Prasetya; Uekusa, Hidehiro Capturing a new hydrate polymorph of amodiaquine dihydrochloride dihydrate via heterogeneous crystallisation CrystEngComm, 2019, 21, 2053 |
7231888 | CIF | C14 H14 N2 O4 | P n a 21 | 26.744; 3.866; 24.352 90; 90; 90 | 2517.8 | Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L. Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments CrystEngComm, 2019, 21, 2119 |
7231889 | CIF | C15 H18 N2 O3 | P n a 21 | 12.8319; 11.667; 9.5936 90; 90; 90 | 1436.26 | Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L. Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments CrystEngComm, 2019, 21, 2119 |
7231890 | CIF | C11 H11 N3 O5 | P 1 21/n 1 | 7.6177; 6.5936; 22.5748 90; 97.516; 90 | 1124.15 | Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L. Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments CrystEngComm, 2019, 21, 2119 |
7231891 | CIF | C14 H14 N2 O4 | P 1 21/c 1 | 3.9358; 15.944; 20.68 90; 90.305; 90 | 1297.7 | Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L. Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments CrystEngComm, 2019, 21, 2119 |
7231892 | CIF | C12 H13 N3 O4 | C 1 2/c 1 | 10.1018; 11.3577; 21.6477 90; 98.4472; 90 | 2456.8 | Manin, Alex N.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L. Design of 4-aminobenzoic acid two-component molecular crystals: prediction and experiments CrystEngComm, 2019, 21, 2119 |
7231901 | CIF | B K3 O13 Sb4 | P -1 | 7.1167; 7.2147; 13.2268 81.973; 99.788; 117.046 | 594.55 | Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor CrystEngComm, 2019, 21, 594 |
7231902 | CIF | B O13 Rb3 Sb4 | P -1 | 7.1593; 7.2533; 13.4894 82.358; 99.999; 117.321 | 611.75 | Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor CrystEngComm, 2019, 21, 594 |
7231903 | CIF | B K0.99 O13 Rb2.01 Sb4 | P -1 | 7.1456; 7.239; 13.4113 82.058; 100.051; 117.205 | 606.16 | Doux, Jean-Marie; Stephant, Nicolas; La Salle, Annie Le Gal; Joubert, Olivier; Guyomard, Dominique; Quarez, Eric New KRb2Sb4BO13 and Rb3Sb4BO13 compounds prepared by Rb+/K+ ion exchange from the K3Sb4BO13 ion conductor CrystEngComm, 2019, 21, 594 |
7231905 | CIF | C H6 Cl3 N Pb | P m -3 m | 5.6867; 5.6867; 5.6867 90; 90; 90 | 183.9 | Nandi, Pronoy; Giri, Chandan; Swain, Diptikanta; Manju, U.; Topwal, Dinesh Room temperature growth of CH3NH3PbCl3 single crystals by solvent evaporation method CrystEngComm, 2019, 21, 656 |
7231906 | CIF | C18 H20 Cu N6 O14 | P -1 | 6.8028; 8.47; 11.01 73.643; 87.812; 75.045 | 587.69 | Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance CrystEngComm, 2019, 21, 462 |
7231907 | CIF | C8 H5 Cu2 N6 O8 | P 1 21/n 1 | 7.889; 8.2289; 19.101 90; 96.213; 90 | 1232.7 | Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance CrystEngComm, 2019, 21, 462 |
7231908 | CIF | C12 H9 N3 O2 S | P 1 21/c 1 | 3.8517; 18.458; 16.3545 90; 92.481; 90 | 1161.63 | Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M. Accuracy and reproducibility in crystal structure prediction: the curious case of ROY CrystEngComm, 2019, 21, 2080 |
7231909 | CIF | C12 H9 N3 O2 S | P 1 21/c 1 | 3.8517; 18.458; 16.3545 90; 92.481; 90 | 1161.63 | Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M. Accuracy and reproducibility in crystal structure prediction: the curious case of ROY CrystEngComm, 2019, 21, 2080 |
7231912 | CIF | C30 H40 Cu2 I2 N10 | P 1 21/n 1 | 15.8546; 11.2212; 19.1473 90; 93.305; 90 | 3400.79 | Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties CrystEngComm, 2019, 21, 251 |
7231913 | CIF | C16 H24 Cl2 Cu2 N6 O2 | P 1 21/n 1 | 8.213; 10.6509; 24.483 90; 94.124; 90 | 2136.1 | Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties CrystEngComm, 2019, 21, 251 |
7231914 | CIF | C24 H36 Br4 Cu4 N8 O4 | P 1 21/n 1 | 8.9045; 14.2825; 12.8264 90; 95.806; 90 | 1622.87 | Beheshti, Azizolla; Mousavi Fard, Elham Sadat; Kubicki, Maciej; Mayer, Peter; Abrahams, Carmel T.; Razatofighi, Seyedeh Elham Design, synthesis and characterization of copper-based coordination compounds with bidentate (N,N and N,O) ligands: reversible uptake of iodine, dye adsorption and assessment of their antibacterial properties CrystEngComm, 2019, 21, 251 |
7231915 | CIF | C29 H25 Cd N5 O7 | P -1 | 9.949; 11.344; 12.395 98.565; 90.042; 91.149 | 1383 | Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C. Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption CrystEngComm, 2019, 21, 535 |
7231916 | CIF | C40 H26 N4 O13 S2 Zn2 | P 1 | 9.894; 12.719; 12.789 60.037; 77.603; 83.457 | 1361.7 | Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C. Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption CrystEngComm, 2019, 21, 535 |
7231917 | CIF | Li O U | P -1 | 19.278; 30.847; 31.788 103.418; 99.2516; 95.3487 | 17980 | Traustason, H.; Aksenov, S. M.; Burns, P. C. The lithium‒water configuration encapsulated by uranyl peroxide cage cluster U24 CrystEngComm, 2019, 21, 390 |
7231918 | CIF | C28 H38 N2 O5 | P 1 21 1 | 8.8708; 15.609; 18.593 90; 90.01; 90 | 2574.5 | Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons CrystEngComm, 2019, 21, 2144 |
7231919 | CIF | C26.5 H38.5 N3 O3.75 | C 1 2 1 | 32.061; 11.0501; 7.0657 90; 93.859; 90 | 2497.5 | Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons CrystEngComm, 2019, 21, 2144 |
7231920 | CIF | C28 H38 N2 O5 | P 1 21 1 | 9.6635; 23.495; 11.8249 90; 113.761; 90 | 2457.19 | Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons CrystEngComm, 2019, 21, 2144 |
7231921 | CIF | C29 H38 N2 O5 | P 1 21 1 | 7.866; 11.3879; 29.2351 90; 95.638; 90 | 2606.1 | Wang, Xiaojuan; Kong, Minmin; Li, Duanxiu; Fang, Jianhui; Deng, Zongwu; Zhang, Hailu Stanozolol‒aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons CrystEngComm, 2019, 21, 2144 |
7231922 | CIF | C8 H3 N S3 | P c a 21 | 30.935; 3.8492; 13.9128 90; 90; 90 | 1656.7 | Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions CrystEngComm, 2019, 21, 637 |
7231923 | CIF | C13 H6 I3 N S6 | C 1 2/c 1 | 9.4744; 15.4187; 26.876 90; 91.64; 90 | 3924.5 | Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions CrystEngComm, 2019, 21, 637 |
7231924 | CIF | C13 H7 N S6 | P c a 21 | 14.1394; 4.065; 24.6729 90; 90; 90 | 1418.12 | Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions CrystEngComm, 2019, 21, 637 |
7231925 | CIF | C26 H14 N2 S12 | P -1 | 7.7442; 7.744; 26.3522 81.877; 83.912; 65.73 | 1424.22 | Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions CrystEngComm, 2019, 21, 637 |
7231926 | CIF | C8 H3 N O S2 | P 1 21/c 1 | 3.8349; 14.8206; 13.7718 90; 92.231; 90 | 782.13 | Lopes, Gonçalo; da Gama, Vasco; Belo, Dulce; Simão, Dulce; Santos, Isabel Cordeiro; Almeida, Manuel; Rabaça, Sandra A 4-cyanobenzene-ethylenedithio-TTF electron donor and its (1 : 1) triiodide radical cation salt; isomer effects in C‒N⋯H‒C interactions CrystEngComm, 2019, 21, 637 |
7231927 | CIF | C101 H86 Cu2 N5 O21 | C 2 2 21 | 22.4236; 29.6641; 15.5246 90; 90; 90 | 10326.6 | Tanaka, Koichi; Kawakita, Tomohiro; Morawiak, Maja; Urbanczyk-Lipkowska, Zofia A novel homochiral metal‒organic framework with an expanded open cage based on (R)-3,3′-bis(6-carboxy-2-naphthyl)-2,2′-dihydroxy-1,1′-binaphthyl: synthesis, X-ray structure and efficient HPLC enantiomer separation CrystEngComm, 2019, 21, 487 |
7231928 | CIF | C48 H56 O13 | P 1 21/c 1 | 12.99; 17.916; 20.699 90; 106.068; 90 | 4629.1 | Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm, 2019, 21, 439 |
7231929 | CIF | C45 H36 O11 | P -1 | 10.236; 13.402; 15.695 64.813; 74.226; 83.78 | 1874.9 | Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm, 2019, 21, 439 |
7231930 | CIF | C44 H32 O10 | P n m a | 27.04; 17.777; 8.1345 90; 90; 90 | 3910.2 | Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm, 2019, 21, 439 |
7231931 | CIF | C44 H52 O11 | F d d d :2 | 22.73; 26.88; 28.36 90; 90; 90 | 17327 | Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm, 2019, 21, 439 |
7231932 | CIF | C45 H52 O12 | P 1 21/n 1 | 10.6822; 17.951; 23.18 90; 95.295; 90 | 4425.9 | Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm, 2019, 21, 439 |
7231933 | CIF | C42.25 H51 O13 | P 1 21/n 1 | 10.6209; 17.125; 22.296 90; 95.218; 90 | 4038.5 | Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm, 2019, 21, 439 |
7231934 | CIF | C64 H68 N4 O12 | I 41/a :2 | 18.745; 18.745; 16.688 90; 90; 90 | 5864 | Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm, 2019, 21, 439 |
7231935 | CIF | C44 H48 O12 | P -4 | 17.9565; 17.9565; 12.1543 90; 90; 90 | 3919 | Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm, 2019, 21, 439 |
7231936 | CIF | C19 H12 Cl3 F2 N2 O3 Re | P -1 | 7.148; 9.283; 17.067 105.716; 98.767; 95.949 | 1064.83 | Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R. New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies CrystEngComm, 2019, 21, 77 |
7231937 | CIF | C19 H12 Br Cl4 N2 O3 Re | P -1 | 7.1653; 10.1441; 16.1968 86.971; 82.27; 71.257 | 1104.65 | Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R. New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies CrystEngComm, 2019, 21, 77 |
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