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 |
7231938 | CIF | C19 H12 Br2 Cl F2 N2 O3 Re | P -1 | 7.3756; 8.8914; 16.9636 98.004; 90.442; 105.113 | 1062.4 | 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 |
7231939 | CIF | C19 H12 Br Cl2 F2 N2 O3 Re | P -1 | 7.36; 9.208; 16.59 101.508; 94.97; 98.653 | 1081.25 | 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 |
7231940 | CIF | C19 H12 Cl5 N2 O3 Re | P 1 21/c 1 | 7.121; 33.788; 9.478 90; 96.024; 90 | 2267.86 | 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 |
7231941 | CIF | C19 H12 Cl3 F2 N2 O3 Re | P 1 21/c 1 | 15.453; 7.073; 23.529 90; 126.135; 90 | 2076.98 | 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 |
7231942 | CIF | C19 H12 Cl3 F2 N2 O3 Re | P -1 | 7.3006; 11.598; 12.6789 104.105; 97.855; 96.998 | 1017.88 | 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 |
7231943 | CIF | C21 H12 Br Cl2 F6 N2 O3 Re | P 1 21/c 1 | 7.2547; 26.904; 12.6293 90; 93.127; 90 | 2461.3 | 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 |
7231944 | CIF | C21 H12 Br Cl2 F6 N2 O3 Re | P 1 21/c 1 | 9.6938; 12.9012; 22.2519 90; 91.119; 90 | 2782.33 | 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 |
7231945 | CIF | C32 H72 I6 N2 Pt2 | P 1 21/c 1 | 14.5589; 13.8558; 23.7553 90; 101.602; 90 | 4694.13 | Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Kukushkin, Vadim Yu. Recognition of the π-hole donor ability of iodopentafluorobenzene ‒ a conventional σ-hole donor for crystal engineering involving halogen bonding CrystEngComm, 2019, 21, 616 |
7231946 | CIF | C22 H36 F5 I4 N Pt | P -1 | 9.3533; 12.0866; 14.5096 80.144; 75.835; 78.965 | 1547.65 | Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Kukushkin, Vadim Yu. Recognition of the π-hole donor ability of iodopentafluorobenzene ‒ a conventional σ-hole donor for crystal engineering involving halogen bonding CrystEngComm, 2019, 21, 616 |
7231962 | CIF | C32 H56 Ag2 Mo8 N6 O32 | P -1 | 9.5969; 10.9992; 14.5293 87.894; 72.005; 75.7836 | 1412.7 | Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals CrystEngComm, 2019, 21, 629 |
7231963 | CIF | C24 H36 K2 Mo8 N6 O30 | P -1 | 9.822; 10.107; 12.444 85.67; 86.14; 78.71 | 1206.2 | Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals CrystEngComm, 2019, 21, 629 |
7231964 | CIF | C30 H45 Mo8 N6 Na O32 | P -1 | 12.4487; 14.0216; 17.0849 112.276; 93.2135; 105.097 | 2624.1 | Kobayashi, Jun; Misawa, Toshiyuki; Umeda, Chihiro; Isono, Toru; Ono, Seiji; Naruke, Haruo; Okamura, Yosuke; Koguchi, Shinichi; Higuchi, Masashi; Nagase, Yu; Ito, Takeru Controlled introduction of metal cations into polymerizable ionic liquid-polyoxomolybdate hybrid crystals CrystEngComm, 2019, 21, 629 |
7231965 | CIF | C37 H52 O5 | P 1 | 7.31144; 9.2985; 12.3778 89.7413; 88.0129; 70.786 | 794.14 | Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L. The solid state forms of the sex hormone 17-β-estradiol CrystEngComm, 2019, 21, 2154 |
7231966 | CIF | C21 H32 O3 | P 21 21 21 | 6.58547; 23.9331; 12.23603 90; 90; 90 | 1928.53 | Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L. The solid state forms of the sex hormone 17-β-estradiol CrystEngComm, 2019, 21, 2154 |
7231967 | CIF | C36 H48 O4 | P 21 21 21 | 6.41117; 12.19725; 37.9575 90; 90; 90 | 2968.23 | Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L. The solid state forms of the sex hormone 17-β-estradiol CrystEngComm, 2019, 21, 2154 |
7231968 | CIF | C20 H27 N O2 | P 21 21 21 | 6.98287; 13.56289; 18.1895 90; 90; 90 | 1722.69 | Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L. The solid state forms of the sex hormone 17-β-estradiol CrystEngComm, 2019, 21, 2154 |
7231969 | CIF | C18 H25 O2.5 | P 2 21 21 | 6.54127; 12.05549; 19.2527 90; 90; 90 | 1518.23 | Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L. The solid state forms of the sex hormone 17-β-estradiol CrystEngComm, 2019, 21, 2154 |
7231971 | CIF | C48 H26 Co Mo24 N4 O89 P2 Zn8 | F m m m | 17.386; 23.565; 45.325 90; 90; 90 | 18570 | Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials CrystEngComm, 2019, 21, 765 |
7231972 | CIF | C2 H2 N8 O4 | P b c a | 9.4039; 7.8696; 9.4732 90; 90; 90 | 701.1 | Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials CrystEngComm, 2019, 21, 765 |
7231973 | CIF | C2 H6 N8 Na2 O7 | C 1 2 1 | 8.8499; 12.469; 6.0807 90; 129.15; 90 | 520.4 | Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials CrystEngComm, 2019, 21, 765 |
7231974 | CIF | C2 H8 Li2 N8 O8 | C 1 2/c 1 | 6.1408; 14.773; 11.457 90; 100.56; 90 | 1021.8 | Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials CrystEngComm, 2019, 21, 765 |
7231975 | CIF | C2 N8 O4 Rb2 | C 1 2/c 1 | 9.1059; 11.496; 9.1102 90; 110.86; 90 | 891.2 | Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials CrystEngComm, 2019, 21, 765 |
7231976 | CIF | C2 H2 K2 N8 O5 | P n n a | 24.506; 8.0284; 4.7044 90; 90; 90 | 925.6 | Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials CrystEngComm, 2019, 21, 765 |
7231977 | CIF | C2 Cs2 N8 O4 | P -1 | 5.3925; 7.3559; 7.4275 61.64; 87.56; 69.5 | 240.09 | Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials CrystEngComm, 2019, 21, 765 |
7231978 | CIF | C48 H24 Mo24 N4 Ni O88 P2 Zn8 | F m m m | 17.352; 23.578; 45.26 90; 90; 90 | 18517 | Zhang, Tianhe; Du, Jiang; Li, Zhimin; Lin, Xinyu; Wang, Lin; Yang, Li; Zhang, Tonglai Alkali metal salts of 3,6-dinitramino-1,2,4,5-tetrazine: promising nitrogen-rich energetic materials CrystEngComm, 2019, 21, 765 |
7231979 | CIF | C44 H40 N6 O9 Pb2 | P 1 21/n 1 | 11.7153; 7.8003; 23.8533 90; 96.471; 90 | 2165.9 | Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine CrystEngComm, 2019, 21, 1231 |
7231980 | CIF | C60 H58 N10 O10 Zn2 | C 1 2 1 | 19.4892; 16.7208; 19.5898 90; 119.827; 90 | 5538.2 | Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine CrystEngComm, 2019, 21, 1231 |
7231981 | CIF | C28 H25 N5 O5 Zn | P 1 21/n 1 | 10.1766; 18.0574; 15.0263 90; 108.487; 90 | 2618.78 | Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine CrystEngComm, 2019, 21, 1231 |
7231982 | CIF | C56 H50 Cd2 N10 O10 | P 1 21/c 1 | 22.0684; 17.0982; 14.8533 90; 104.666; 90 | 5422 | Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine CrystEngComm, 2019, 21, 1231 |
7231983 | CIF | C16 H80 Ge2 O120 W20 Zr4 | P 1 21/c 1 | 21.6439; 12.7102; 22.4458 90; 111.555; 90 | 5743 | Ni, Zhi-Hui; Li, Hai-Lou; Li, Xu-Yan; Yang, Guo-Yu Zr4-Substituted polyoxometalate dimers decorated by d-tartaric acid/glycolic acid: syntheses, structures and optical/electrochemical properties CrystEngComm, 2019, 21, 876 |
7231984 | CIF | C4 H72 Ge2 K2 O112 W20 Zr4 | P 1 21 1 | 21.3684; 12.7595; 22.3975 90; 109.631; 90 | 5751.7 | Ni, Zhi-Hui; Li, Hai-Lou; Li, Xu-Yan; Yang, Guo-Yu Zr4-Substituted polyoxometalate dimers decorated by d-tartaric acid/glycolic acid: syntheses, structures and optical/electrochemical properties CrystEngComm, 2019, 21, 876 |
7231986 | CIF | C34 H30 Co N4 O8 | P 21 21 2 | 15.397; 15.921; 6.253 90; 90; 90 | 1532.8 | Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties CrystEngComm, 2019, 21, 749 |
7231987 | CIF | C22 H26 Co N4 O5 | P 1 21/n 1 | 8.0284; 25.322; 11.209 90; 102.068; 90 | 2228.4 | Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties CrystEngComm, 2019, 21, 749 |
7231988 | CIF | C48 H46 Co3 N6 O14 | P 1 21/c 1 | 14.6544; 9.5892; 18.448 90; 97.01; 90 | 2573 | Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties CrystEngComm, 2019, 21, 749 |
7231989 | CIF | C24 H19 Co1.5 N O7 | P 1 21/n 1 | 11.0222; 15.1754; 19.331 90; 100.256; 90 | 3181.8 | Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight CrystEngComm, 2019, 21, 827 |
7231990 | CIF | C63 H73 Co3 N7 O19 | P 1 n 1 | 13.1391; 13.3582; 19.7524 90; 106.272; 90 | 3328 | Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight CrystEngComm, 2019, 21, 827 |
7231991 | CIF | C42 H24 Co4 O13 | P n n m | 17.1291; 21.8862; 26.2493 90; 90; 90 | 9840.6 | Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight CrystEngComm, 2019, 21, 827 |
7232009 | CIF | C8 H12 Br6 N Sb | P 1 21/n 1 | 7.3687; 16.4706; 13.862 90; 97.054; 90 | 1669.65 | Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P. Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks CrystEngComm, 2019, 21, 850 |
7232010 | CIF | C16 H24 Br9 N2 Sb | P 1 21/n 1 | 8.4645; 13.0802; 13.1574 90; 105.702; 90 | 1402.39 | Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P. Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks CrystEngComm, 2019, 21, 850 |
7232011 | CIF | C9 H14 Br6 N Sb | P 21 21 21 | 7.4277; 14.1293; 16.7699 90; 90; 90 | 1759.97 | Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P. Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks CrystEngComm, 2019, 21, 850 |
7232012 | CIF | C9 H14 Br6 N Sb | P 1 21/c 1 | 9.947; 11.5017; 16.4632 90; 107.201; 90 | 1799.27 | Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P. Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks CrystEngComm, 2019, 21, 850 |
7232013 | CIF | C14 H20 Br9 N2 Sb | P -1 | 7.2611; 9.0862; 11.1895 67.617; 87.457; 72.163 | 647.61 | Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P. Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks CrystEngComm, 2019, 21, 850 |
7232014 | CIF | C24 H22 Br11 N2 Sb | P 1 21/c 1 | 8.6483; 15.1885; 13.352 90; 98.887; 90 | 1732.79 | Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P. Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks CrystEngComm, 2019, 21, 850 |
7232015 | CIF | C10 H10 Br11 N2 Sb | P 1 21/c 1 | 7.3255; 20.6666; 16.5665 90; 95.627; 90 | 2496 | Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P. Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks CrystEngComm, 2019, 21, 850 |
7232016 | CIF | C16 H24 Br9 N2 Sb | P -1 | 7.2472; 9.4088; 11.5541 69.263; 81.162; 71.303 | 697.2 | Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P. Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks CrystEngComm, 2019, 21, 850 |
7232017 | CIF | C26 H28 Br9 N2 Sb | P -1 | 8.9834; 10.2599; 10.3601 94.223; 102.737; 111.846 | 851.62 | Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P. Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks CrystEngComm, 2019, 21, 850 |
7232018 | CIF | C10 H10 Br9 I2 N2 Sb | P 1 21/n 1 | 8.18; 12.9394; 12.5865 90; 105.412; 90 | 1284.3 | Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P. Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks CrystEngComm, 2019, 21, 850 |
7232019 | CIF | C12 H14 Br11 N2 Sb | I 1 m 1 | 8.4041; 13.3407; 12.2371 90; 95.731; 90 | 1365.1 | Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P. Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks CrystEngComm, 2019, 21, 850 |
7232020 | CIF | C108 H72 Co6 N18 O30 | F d d 2 | 39.377; 43.654; 38.551 90; 90; 90 | 66267.8 | Qin, Bo-Wen; Zhou, Bao-Lei; Cui, Zheng; Zhou, Lei; Zhang, Xiao-Ying; Li, Wen-Liang; Zhang, Jing-Ping Selective CO2 adsorption and theoretical simulation of a stable Co(ii)-based metal‒organic framework with tunable crystal size CrystEngComm, 2019, 21, 1564 |
7232027 | CIF | C13 H12 Br N O3 | P 1 21/n 1 | 11.557; 4.03422; 27.4354 90; 95.906; 90 | 1272.34 | Paikar, Arpita; Podder, Debasish; Chowdhury, Srayoshi Roy; Sasmal, Supriya; Haldar, Debasish Bromine‒bromine interactions enhanced plasticity for the bending of a single crystal without affecting fluorescent properties CrystEngComm, 2019, 21, 589 |
7232030 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 7.9313; 13.313; 11.6544 90; 104.509; 90 | 1191.3 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232031 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 7.7929; 13.2989; 11.5902 90; 104.082; 90 | 1165.1 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232032 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 7.592; 13.2615; 11.4988 90; 103.49; 90 | 1125.77 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232033 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 7.4909; 13.2386; 11.4562 90; 103.241; 90 | 1105.9 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232034 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 7.8517; 13.3034; 11.6174 90; 104.251; 90 | 1176.1 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232035 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 7.6938; 13.2818; 11.5506 90; 103.783; 90 | 1146.3 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232036 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 7.2068; 13.153; 11.3365 90; 102.812; 90 | 1047.8 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232037 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 7.4126; 13.2122; 11.4253 90; 103.122; 90 | 1089.74 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232038 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 6.9954; 13.0631; 11.2417 90; 102.703; 90 | 1002.1 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232039 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 7.8566; 13.3005; 11.6219 90; 104.253; 90 | 1177.07 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232040 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 6.8305; 12.9782; 11.1656 90; 102.712; 90 | 965.54 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232041 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 6.6919; 12.9085; 11.0915 90; 102.807; 90 | 934.27 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232042 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 6.9097; 13.022; 11.1993 90; 102.719; 90 | 983 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232043 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 6.6153; 12.8677; 11.0478 90; 102.898; 90 | 916.7 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232044 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 8.011; 13.395; 11.726 90; 104.759; 90 | 1216.8 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232045 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 7.765; 13.283; 11.615 90; 104.14; 90 | 1161.7 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232046 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 7.713; 13.271; 11.611 90; 104.004; 90 | 1153.2 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232047 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 7.651; 13.243; 11.624 90; 104.118; 90 | 1142.2 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232048 | CIF | C12 H9 N3 O2 S | P 1 21/n 1 | 7.67; 13.254; 11.618 90; 104.066; 90 | 1145.7 | Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm, 2019, 21, 4473 |
7232049 | CIF | C86 H84 N6 O18 Sm2 | P -1 | 11.4105; 13.539; 15.3325 88.783; 68.821; 68.65 | 2040.5 | Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods CrystEngComm, 2019, 21, 964 |
7232050 | CIF | C86 H84 Gd2 N6 O18 | P -1 | 11.3766; 13.5678; 15.2994 89.045; 68.623; 69.011 | 2035.5 | Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods CrystEngComm, 2019, 21, 964 |
7232051 | CIF | C86 H84 Eu2 N6 O18 | P -1 | 11.4004; 13.5367; 15.3073 88.899; 68.79; 68.798 | 2036.2 | Xu, Yuan-Yi; Chen, Peng; Gao, Ting; Li, Hong-Feng; Yan, Peng-Fei White-light emission based on a single component Sm(iii) complex and enhanced optical properties by doping methods CrystEngComm, 2019, 21, 964 |
7232052 | CIF | C6 H6 N2 O | P c a 21 | 9.888; 7.9929; 15.162 90; 90; 90 | 1198.3 | Vicatos, Alexios I.; Caira, Mino R. A new polymorph of the common coformer isonicotinamide CrystEngComm, 2019, 21, 843 |
7232053 | CIF | C18 H18 N6 O6 | P 1 21/n 1 | 8.595; 4.645; 22.624 90; 91.293; 90 | 903 | Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC. Substituent effects in solid-state assembly of activated benzotriazoles CrystEngComm, 2019, 21, 835 |
7232054 | CIF | C8 H9 N3 O2 | C 1 2/c 1 | 13.5266; 10.2411; 13.4172 90; 116.838; 90 | 1658.4 | Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC. Substituent effects in solid-state assembly of activated benzotriazoles CrystEngComm, 2019, 21, 835 |
7232055 | CIF | C16 H14 N6 O6 | P -1 | 6.018; 7.393; 9.3115 77.213; 82.358; 86.071 | 400.09 | Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC. Substituent effects in solid-state assembly of activated benzotriazoles CrystEngComm, 2019, 21, 835 |
7232056 | CIF | C16 H14 N6 O2 | P 1 21/c 1 | 9.3151; 4.9197; 16.7332 90; 95.356; 90 | 763.49 | Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC. Substituent effects in solid-state assembly of activated benzotriazoles CrystEngComm, 2019, 21, 835 |
7232057 | CIF | C10 H10 Cl N3 O3 | P 21 21 21 | 4.669; 8.554; 28.15 90; 90; 90 | 1124 | Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC. Substituent effects in solid-state assembly of activated benzotriazoles CrystEngComm, 2019, 21, 835 |
7232058 | CIF | C10 H11 N3 O4 | P 1 21/c 1 | 13.073; 4.901; 16.934 90; 106.837; 90 | 1038.5 | Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC. Substituent effects in solid-state assembly of activated benzotriazoles CrystEngComm, 2019, 21, 835 |
7232059 | CIF | C10 H11 N3 O3 | P n m a | 9.9817; 6.6498; 15.4052 90; 90; 90 | 1022.5 | Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC. Substituent effects in solid-state assembly of activated benzotriazoles CrystEngComm, 2019, 21, 835 |
7232060 | CIF | C6 H2 N14 O2 | P 1 21/c 1 | 6.1954; 9.278; 9.776 90; 91.993; 90 | 561.6 | Liu, Yang; Shen, Cheng; Lu, Ming Boosting the performance of energetic materials through thermally-induced conformational transition CrystEngComm, 2019, 21, 796 |
7232061 | CIF | C6 H2 N14 O2 | P 1 21/c 1 | 5.7955; 9.7961; 19.767 90; 92.904; 90 | 1120.8 | Liu, Yang; Shen, Cheng; Lu, Ming Boosting the performance of energetic materials through thermally-induced conformational transition CrystEngComm, 2019, 21, 796 |
7232062 | CIF | C62 H54 F18 N16 Ni4 O26 S6 | P -1 | 12.452; 13.7523; 25.1444 91.559; 95.731; 102.126 | 4183.6 | Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges CrystEngComm, 2019, 21, 917 |
7232063 | CIF | C112 H118 Cl12 N32 Ni8 O69 | P -1 | 12.3939; 26.0105; 26.2478 112.794; 95.4248; 97.6923 | 7630.6 | Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges CrystEngComm, 2019, 21, 917 |
7232064 | CIF | C56 H74 N22 Ni4 O36 | P -1 | 14.587; 14.7541; 18.4452 95.571; 97.055; 90.12 | 3920.7 | Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges CrystEngComm, 2019, 21, 917 |
7232065 | CIF | C120 H134 Cl10 N32 Ni8 O62 | P -1 | 12.4085; 23.2955; 28.0056 86.006; 81.19; 83.687 | 7939.8 | Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges CrystEngComm, 2019, 21, 917 |
7232066 | CIF | C56 H74 N22 Ni4 O36 | P -1 | 14.587; 14.7541; 18.4452 95.571; 97.055; 90.12 | 3920.7 | Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges CrystEngComm, 2019, 21, 917 |
7232067 | CIF | C24 H214 Al4 Cu6 Mo24 N24 O143 | C 1 2/c 1 | 27.5506; 13.4067; 22.7853 90; 98.378; 90 | 8326.2 | Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions CrystEngComm, 2019, 21, 1168 |
7232068 | CIF | C12 H34 Cr Cu Mo6 N12 O31 | P 1 21/n 1 | 8.2068; 21.0385; 24.5141 90; 96.205; 90 | 4207.8 | Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions CrystEngComm, 2019, 21, 1168 |
7232069 | CIF | C7 H20 Cr Cu2 K Mo6 N6 O26 | P 1 2/c 1 | 11.5188; 5.9468; 21.01 90; 99.854; 90 | 1417.95 | Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions CrystEngComm, 2019, 21, 1168 |
7232070 | CIF | C12 H107 Cr2 Cu3 Mo12 N12 O71.5 | C 1 2/c 1 | 27.6717; 13.4767; 22.8522 90; 98.44; 90 | 8429.8 | Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions CrystEngComm, 2019, 21, 1168 |
7232071 | CIF | C14 H98 Cd3 Cr3 Mo18 N12 O102 | P 1 21/n 1 | 16.1041; 11.6957; 27.93 90; 95.28; 90 | 5238.3 | Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions CrystEngComm, 2019, 21, 1168 |
7232072 | CIF | C6 H31 Al Cu2.5 Mo6 N6 O27 | P -1 | 6.4672; 10.482; 13.154 87.291; 85.271; 84.015 | 883.1 | Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions CrystEngComm, 2019, 21, 1168 |
7232073 | CIF | C14 H52 Cr2 Cu3 Mo12 N12 O58 | P -1 | 6.4711; 15.2046; 16.6977 96.961; 99.683; 98.53 | 1583.48 | Ying, Jun; Chen, Ya-Guang; Wang, Xiu-Yan A series of 0D to 3D Anderson-type polyoxometalate-based compounds obtained under ambient and hydrothermal conditions CrystEngComm, 2019, 21, 1168 |
7232074 | CIF | C14 H11 Cd N O6 | P -1 | 7.5577; 9.998; 12.26 75.432; 79.59; 69.491 | 835.39 | Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing CrystEngComm, 2019, 21, 1001 |
7232075 | CIF | C19 H15 Cd N2 O7 | P -1 | 8.1208; 10.241; 12.376 106.79; 99.48; 104.1 | 924.6 | Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing CrystEngComm, 2019, 21, 1001 |
7232076 | CIF | C18 H16 Cd N O9 | P -1 | 7.6825; 10.0737; 13.2714 70.544; 89.008; 74.231 | 928.96 | Guo, Xiuli; Xu, Jianing; Sun, Jing; Chen, Xiaodong; Wang, Li; Fan, Yong Three layer-structured cadmium coordination polymers based on flexible 5-(4-pyridyl)-methoxylisophthalic acid: rapid synthesis and luminescence sensing CrystEngComm, 2019, 21, 1001 |
7232077 | CIF | C15 H14 F2 N6 O5 | P 1 21/c 1 | 5.6109; 14.914; 20.848 90; 96.566; 90 | 1733.1 | Owoyemi, Bolaji C. Dayo; da Silva, Cecilia C. P.; Diniz, Luan F.; Souza, Matheus S.; Ellena, Javier; Carneiro, Renato L. Fluconazolium oxalate: synthesis and structural characterization of a highly soluble crystalline form CrystEngComm, 2019, 21, 1114 |
7232078 | CIF | C48 H38 Cd3 N6 O17 | P 1 21/c 1 | 17.96; 12.903; 24.414 90; 127.047; 90 | 4515.6 | Gao, Wei; Liu, Feng; Pan, Chang-Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu A stable anionic metal‒organic framework with open coordinated sites: selective separation toward cationic dyes and sensing properties CrystEngComm, 2019, 21, 1159 |
7232079 | CIF | C6 H9 N4 O8 P | P -1 | 4.4913; 10.893; 12.672 106.87; 99.66; 92.3 | 582.3 | Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B. Multicomponent crystals of nitrofurazone ‒ when more is less CrystEngComm, 2019, 21, 1091 |
7232080 | CIF | C6 H6 N4 O4 | P 1 21 1 | 4.2098; 6.9632; 14.2021 90; 92.36; 90 | 415.96 | Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B. Multicomponent crystals of nitrofurazone ‒ when more is less CrystEngComm, 2019, 21, 1091 |
7232081 | CIF | C24 H27 Cl N16 O21 | P -1 | 7.9863; 14.566; 16.208 77.88; 80.9; 87.87 | 1820.2 | Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B. Multicomponent crystals of nitrofurazone ‒ when more is less CrystEngComm, 2019, 21, 1091 |
7232082 | CIF | C6 H6 N4 O4 | P 1 21/c 1 | 13.4449; 7.8221; 7.8587 90; 103.134; 90 | 804.86 | Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B. Multicomponent crystals of nitrofurazone ‒ when more is less CrystEngComm, 2019, 21, 1091 |
7232083 | CIF | C9 H12 N4 O6 | P 1 21/c 1 | 15.801; 12.931; 24.475 90; 90.04; 90 | 5000.8 | Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B. Multicomponent crystals of nitrofurazone ‒ when more is less CrystEngComm, 2019, 21, 1091 |
7232084 | CIF | C4 H14 N20 O11 Pb2 | P -1 | 6.5991; 10.8137; 15.2509 84.753; 81.706; 74.843 | 1037.82 | Li, Xin; Sun, Qi; Lu, Ming; Lin, Qiuhan Improving properties of energetic coordination polymers through structural modulation from 1D to 3D without changes of ligands or metal nodes CrystEngComm, 2019, 21, 937 |
7232085 | CIF | C2 H6 N10 O6 Pb2 | P c c n | 11.4741; 17.026; 5.9443 90; 90; 90 | 1161.3 | Li, Xin; Sun, Qi; Lu, Ming; Lin, Qiuhan Improving properties of energetic coordination polymers through structural modulation from 1D to 3D without changes of ligands or metal nodes CrystEngComm, 2019, 21, 937 |
7232086 | CIF | C15 H14 O2 | P n m a | 14.073; 6.8273; 12.0491 90; 90; 90 | 1157.68 | Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D. O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres CrystEngComm, 2019, 21, 1009 |
7232087 | CIF | C16 H18 O2 | P 1 21/c 1 | 12.4248; 22.9673; 9.8566 90; 112.446; 90 | 2599.63 | Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D. O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres CrystEngComm, 2019, 21, 1009 |
7232088 | CIF | C22 H25.1 N3 O2.05 | P -1 | 8.2578; 10.5748; 23.1819 99.596; 91.72; 104.122 | 1930.4 | Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D. O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres CrystEngComm, 2019, 21, 1009 |
7232089 | CIF | C17 H12 O2 | I b a 2 | 17.3065; 17.6303; 8.0817 90; 90; 90 | 2465.88 | Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D. O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres CrystEngComm, 2019, 21, 1009 |
7232090 | CIF | C12 H10 O2 | P 21 21 21 | 9.9122; 13.8433; 13.9018 90; 90; 90 | 1907.57 | Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D. O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres CrystEngComm, 2019, 21, 1009 |
7232091 | CIF | C17 H23 N3 O2 | P -1 | 15.1117; 15.6707; 16.4672 80.552; 69.591; 61.179 | 3202.1 | Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D. O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres CrystEngComm, 2019, 21, 1009 |
7232092 | CIF | C19 H20 N2 O2 | C 1 2/c 1 | 27.588; 8.2227; 19.874 90; 132.66; 90 | 3315.4 | Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D. O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres CrystEngComm, 2019, 21, 1009 |
7232093 | CIF | C23 H28 N2 O2 | P 1 21/c 1 | 10.1265; 25.804; 7.9261 90; 105.497; 90 | 1995.8 | Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D. O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres CrystEngComm, 2019, 21, 1009 |
7232094 | CIF | C16 H13 N O3 | P 1 21/c 1 | 10.8607; 8.0882; 15.3629 90; 100.51; 90 | 1326.89 | Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D. O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres CrystEngComm, 2019, 21, 1009 |
7232095 | CIF | C14 H8 N2 O | P 1 21/c 1 | 9.9169; 7.4879; 15.8768 90; 108.096; 90 | 1120.65 | Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D. O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres CrystEngComm, 2019, 21, 1009 |
7232096 | CIF | C22 H26 N2 O2 | P 1 21/c 1 | 8.4313; 26.5593; 9.5945 90; 114.586; 90 | 1953.7 | Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D. O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres CrystEngComm, 2019, 21, 1009 |
7232097 | CIF | C17 H14 O5 | P 1 21/c 1 | 7.3963; 14.2452; 13.5274 90; 105.187; 90 | 1375.49 | Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D. O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres CrystEngComm, 2019, 21, 1009 |
7232098 | CIF | C23 H18 O3 | P -1 | 6.9441; 8.8146; 14.8418 77.773; 78.744; 76.371 | 852.7 | Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D. O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres CrystEngComm, 2019, 21, 1009 |
7232099 | CIF | C17 H14 O3 | P 1 21/c 1 | 13.4588; 9.4421; 20.9855 90; 95.122; 90 | 2656.17 | Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D. O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres CrystEngComm, 2019, 21, 1009 |
7232100 | CIF | C34 H34 Br2 O4 | R -3 :H | 37.3853; 37.3853; 11.2109 90; 90; 120 | 13569.8 | Kennedy, Stuart R.; Main, Mawgan U.; Pulham, Colin R.; Ling, Irene; Dalgarno, Scott J. A self-assembled nanotube supported by halogen bonding interactions CrystEngComm, 2019, 21, 786 |
7232101 | CIF | C39 H43 Cl2 N4 O6 | P -1 | 10.007; 13.2653; 15.0577 80.234; 71.193; 70.137 | 1775.5 | Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule CrystEngComm, 2019, 21, 1548 |
7232102 | CIF | C37.5 H40 Cl2 N4 O6 | P -1 | 9.9312; 13.0381; 14.9669 78.504; 71.545; 71.592 | 1733.59 | Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule CrystEngComm, 2019, 21, 1548 |
7232103 | CIF | C34 H34 Cl2 N4 O6 | C 1 2/c 1 | 19.602; 10.4596; 15.8952 90; 107.358; 90 | 3110.6 | Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule CrystEngComm, 2019, 21, 1548 |
7232104 | CIF | C38 H42 Cl2 N4 O6 | P -1 | 9.9249; 13.0873; 15.1023 78.486; 71.671; 71.466 | 1754.7 | Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule CrystEngComm, 2019, 21, 1548 |
7232105 | CIF | C38 H41 Cl2 N4 O6 | P -1 | 9.9494; 13.0577; 15.047 78.907; 71.437; 70.82 | 1741.8 | Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule CrystEngComm, 2019, 21, 1548 |
7232106 | CIF | C38 H42 Cl2 N4 O6 | P -1 | 9.9163; 13.1401; 14.9925 78.987; 71.536; 71.106 | 1744.6 | Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule CrystEngComm, 2019, 21, 1548 |
7232107 | CIF | C37.5 H41 Cl2 N4 O6 | P -1 | 9.9369; 13.0256; 14.9773 78.67; 71.719; 71.595 | 1736.34 | Hyodo, Tadashi; Kawahata, Masatoshi; Hikami, Yuya; Komatsu, Ai; Tominaga, Masahide; Yamaguchi, Kentaro Cycloalkanes and cycloalkenes in dispersive force oriented inclusion crystals by a functionalized acyclic host molecule CrystEngComm, 2019, 21, 1548 |
7232108 | CIF | C7 H3 Cl2 N O | P 1 21/c 1 | 3.9611; 13.3377; 14.48 90; 97.848; 90 | 757.84 | Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H. Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides CrystEngComm, 2019, 21, 908 |
7232109 | CIF | C7 H4 Br N O | C 1 2/c 1 | 25.671; 3.903; 14.123 90; 106.068; 90 | 1359.8 | Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H. Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides CrystEngComm, 2019, 21, 908 |
7232110 | CIF | C7 H3 Cl2 N O | P 1 21/c 1 | 3.7857; 12.616; 15.632 90; 93.847; 90 | 744.9 | Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H. Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides CrystEngComm, 2019, 21, 908 |
7232111 | CIF | C3.5 H2 Cl0.5 N0.5 O0.5 | P 1 21/m 1 | 4.5995; 7.7964; 9.3711 90; 101.201; 90 | 329.64 | Dhami, Jaya K.; Idzorek, Kiersten M.; Johnson, Ryan B.; Van Auken, Kaitlyn S.; Ojala, William H. Intramolecular geometry and intermolecular interactions of the CNO group of crystalline benzonitrile oxides: a comparison with phenyl cyanates, phenyl isocyanates, and phenyl azides CrystEngComm, 2019, 21, 908 |
7232112 | CIF | C18 H15 N2 | P -1 | 6.9929; 9.6745; 10.9094 97.057; 97.633; 96.111 | 720.29 | Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene CrystEngComm, 2019, 21, 981 |
7232113 | CIF | C30 H30 N2 O4 | P -1 | 6.9689; 10.7206; 18.531 97.772; 100.438; 107.389 | 1272.6 | Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene CrystEngComm, 2019, 21, 981 |
7232114 | CIF | C34 H28 N4 | I 1 2/m 1 | 15.3925; 6.8374; 12.8802 90; 93.087; 90 | 1353.61 | Mandal, Arkalekha; Swain, Pravasini; Nath, Bhaskar; Sau, Sudip; Mal, Prasenjit Unipolar to ambipolar semiconductivity switching in charge transfer cocrystals of 2,7-di-tert-butylpyrene CrystEngComm, 2019, 21, 981 |
7232115 | CIF | C9 H13 La O9.5 | P -1 | 7.9686; 8.6786; 11.2515 95.505; 106.522; 113.65 | 663.5 | Skoulika, Stavroula; Siskos, Michael G.; Michaelides, Adonis 2D to 3D solvent mediated transformation of a photoreactive lanthanum MOF: a case of three parallel photo-cycloaddition reactions CrystEngComm, 2019, 21, 1137 |
7232116 | CIF | C64 H46 I6 N4 O4 Sn | P -1 | 9.5953; 10.9758; 15.4396 101.8; 102.572; 93.998 | 1542.37 | Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins CrystEngComm, 2019, 21, 1150 |
7232117 | CIF | C60 H34 Cl6 I4 N6 O8 Sn | P -1 | 11.6409; 12.3154; 13.1057 98.307; 104.865; 117.3 | 1536.72 | Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins CrystEngComm, 2019, 21, 1150 |
7232118 | CIF | C66 H52 I4 N6 O10 Sn | P -1 | 11.2861; 11.7958; 13.3288 103.991; 95.327; 111 | 1575.58 | Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins CrystEngComm, 2019, 21, 1150 |
7232119 | CIF | C58 H32 I6 N4 O4 Sn | P -1 | 8.0433; 12.3567; 15.1084 69.576; 85.741; 87.539 | 1403.09 | Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins CrystEngComm, 2019, 21, 1150 |
7232120 | CIF | C58 H30 Cl4 I4 N4 O4 Sn | P -1 | 8.8373; 10.7391; 14.9694 98.367; 101.545; 96.724 | 1361.35 | Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins CrystEngComm, 2019, 21, 1150 |
7232121 | CIF | C58 H30 Br4 I4 N4 O4 Sn | P -1 | 8.8374; 10.7088; 15.0404 98.727; 101.652; 96.887 | 1361.15 | Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins CrystEngComm, 2019, 21, 1150 |
7232122 | CIF | C64 H46 Br2 I4 N4 O4 Sn | P -1 | 9.64; 10.8143; 15.1088 100.646; 102.72; 93.71 | 1500.84 | Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins CrystEngComm, 2019, 21, 1150 |
7232123 | CIF | C60 H36 F4 I4 N4 O5 S Sn | P 1 21/c 1 | 14.2058; 17.3651; 11.8806 90; 97.847; 90 | 2903.32 | Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins CrystEngComm, 2019, 21, 1150 |
7232124 | CIF | C18 H13 I N | I 1 2/a 1 | 17.008; 10.0083; 19.248 90; 108.513; 90 | 3106.9 | Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H. Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene CrystEngComm, 2019, 21, 990 |
7232125 | CIF | C22 H12 I2 N2 | P -1 | 7.5641; 8.3619; 17.5 94.126; 96.466; 106.153 | 1050.2 | Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H. Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene CrystEngComm, 2019, 21, 990 |
7232126 | CIF | C22 H14 I2 N2 | C 1 2/c 1 | 12.8031; 9.5117; 17.856 90; 107.973; 90 | 2068.4 | Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H. Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene CrystEngComm, 2019, 21, 990 |
7232127 | CIF | O5 P Rb0.94 Ta0.06 Ti0.94 | P n a 21 | 12.9604; 6.4988; 10.5705 90; 90; 90 | 890.3 | Li, Ziqing; Zhu, Pengfei; Chen, Yang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Jiang, Huaidong Single crystal structure and optical properties of nonlinear optical crystal Rb0.94Ti0.94Ta0.06OPO4 CrystEngComm, 2019, 21, 1570 |
7232128 | CIF | O5 P Rb0.9 Ta0.1 Ti0.9 | P n a 21 | 12.9584; 6.4968; 10.5615 90; 90; 90 | 889.2 | Li, Ziqing; Zhu, Pengfei; Chen, Yang; Ji, Nianjing; Liu, Jian; Duan, Xiulan; Jiang, Huaidong Single crystal structure and optical properties of nonlinear optical crystal Rb0.94Ti0.94Ta0.06OPO4 CrystEngComm, 2019, 21, 1570 |
7232129 | CIF | Cl4 Co H14 N4 O2 | P 1 21/c 1 | 7.988; 5.7019; 11.3808 90; 97.745; 90 | 513.63 | Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J. Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands CrystEngComm, 2019, 21, 894 |
7232130 | CIF | Cl16 H54 Mn3 N20 O2 | P -1 | 7.5839; 9.1752; 15.0656 89.821; 84.447; 75.697 | 1010.82 | Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J. Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands CrystEngComm, 2019, 21, 894 |
7232131 | CIF | Cl5 H15 Mn N6 | P 1 21/n 1 | 8.9779; 10.9705; 11.7726 90; 94.423; 90 | 1156.05 | Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J. Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands CrystEngComm, 2019, 21, 894 |
7232132 | CIF | Cl3 H9 Mn N2 O2 | P 1 21/n 1 | 5.5411; 13.9707; 9.963 90; 92.648; 90 | 770.44 | Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J. Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands CrystEngComm, 2019, 21, 894 |
7232133 | CIF | C2 H10 Cl2 Cu N2 O2 | P -1 | 3.7868; 5.6827; 8.7079 99.853; 98.563; 91.568 | 182.3 | Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J. Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands CrystEngComm, 2019, 21, 894 |
7232153 | CIF | C13.2 H9.8 I2 N4.6 | P c a 21 | 17.5338; 10.4983; 28.7697 90; 90; 90 | 5295.8 | Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W. Organic molecular tessellations and intertwined double helices assembled by halogen bonding CrystEngComm, 2019, 21, 1130 |
7232154 | CIF | C9.2 H3.8 I2 N2.6 | P -1 | 4.3229; 13.047; 29.586 90.19; 91.77; 95.024 | 1661.4 | Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W. Organic molecular tessellations and intertwined double helices assembled by halogen bonding CrystEngComm, 2019, 21, 1130 |
7232155 | CIF | C10 H5 I2 N3 | P -1 | 4.2425; 23.537; 24.567 111.725; 94.131; 93.861 | 2261.3 | Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W. Organic molecular tessellations and intertwined double helices assembled by halogen bonding CrystEngComm, 2019, 21, 1130 |
7232156 | CIF | C8 H0 I2 N2 | P 1 21/c 1 | 13.9441; 35.2209; 8.2173 90; 90.331; 90 | 4035.6 | Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W. Organic molecular tessellations and intertwined double helices assembled by halogen bonding CrystEngComm, 2019, 21, 1130 |
7232157 | CIF | C9 H3 Cl3 I2 N2 | P 1 21/c 1 | 4.338; 18.327; 18.018 90; 91.705; 90 | 1431.8 | Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W. Organic molecular tessellations and intertwined double helices assembled by halogen bonding CrystEngComm, 2019, 21, 1130 |
7232169 | CIF | C24 H91 Mo12 N12 Na O66 P8 | P -1 | 12.5982; 13.295; 13.5974 114.779; 99.377; 100.412 | 1959.7 | Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates CrystEngComm, 2019, 21, 971 |
7232170 | CIF | C39 H61.5 Mo12 N6 Na3.5 O66 P8 | C 1 2/m 1 | 27.133; 12.3372; 15.5056 90; 123.224; 90 | 4342 | Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates CrystEngComm, 2019, 21, 971 |
7232171 | CIF | C20 H68 Mn2.5 Mo12 N8 Na2 O71.5 P8 | P 1 n 1 | 14.6598; 13.3538; 22.0021 90; 103.869; 90 | 4181.6 | Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates CrystEngComm, 2019, 21, 971 |
7232172 | CIF | C3 H58 Mn2.5 Mo12 N5.5 Na4.5 O72.5 P8 | P 43 2 2 | 13.3983; 13.3983; 38.3301 90; 90; 90 | 6880.81 | Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates CrystEngComm, 2019, 21, 971 |
7232173 | CIF | C14 H80 Mn2 Mo12 N7 Na O68 P8 | P 1 21/c 1 | 16.333; 21.724; 21.913 90; 92.836; 90 | 7765.6 | Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates CrystEngComm, 2019, 21, 971 |
7232174 | CIF | C13 H80.5 Cu0.25 Mo12 N6.5 Na4.75 O70 P8 | P -1 | 13.262; 13.36; 22.492 99.302; 90.283; 103.365 | 3822.5 | Li, Wei; Zhu, Jian-Nan; Shen, Nan-Nan; Xiong, Wei-Wei; Huang, Xiao-Ying Assembling [M(P4Mo6)2] (M = Na, Mn, Na/Cu) dimeric clusters via transition metal/sodium ions into 0D to 3D phosphomolybdates CrystEngComm, 2019, 21, 971 |
7232185 | CIF | Ca6.983 O28 Pb3.517 V7 | R 3 c :H | 10.9801; 10.9801; 38.5568 90; 90; 120 | 4025.7 | Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I. Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9 CrystEngComm, 2019, 21, 1309 |
7232186 | CIF | Ca5.606 O28 Pb4.894 V7 | R 3 c :H | 11.0594; 11.0594; 38.8813 90; 90; 120 | 4118.5 | Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I. Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9 CrystEngComm, 2019, 21, 1309 |
7232187 | CIF | Ca8.649 O28 Pb1.851 V7 | R 3 c :H | 10.922; 10.922; 38.3133 90; 90; 120 | 3958.08 | Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I. Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9 CrystEngComm, 2019, 21, 1309 |
7232188 | CIF | C62 H2 Br2 Cl4 | P 6/m m m | 10.1313; 10.1313; 10.1351 90; 90; 120 | 900.9 | Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís Ordered and disordered solvates of C60 and CBrCl2H CrystEngComm, 2019, 21, 1180 |
7232189 | CIF | C61 H Br Cl2 | C 1 2/c 1 | 10.14; 31.233; 10.122 90; 90.21; 90 | 3205.6 | Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís Ordered and disordered solvates of C60 and CBrCl2H CrystEngComm, 2019, 21, 1180 |
7232190 | CIF | C56 H42 Cu2 N14 | P 1 21/c 1 | 15.071; 17.319; 18.468 90; 96.99; 90 | 4784.6 | Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties CrystEngComm, 2019, 21, 1242 |
7232191 | CIF | C7 H5 Cu N3 | C 1 2/c 1 | 11.089; 8.79; 15.236 90; 102.882; 90 | 1447.7 | Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties CrystEngComm, 2019, 21, 1242 |
7232192 | CIF | C16 H14 Cu2 N6 | P 1 21/n 1 | 8.8138; 15.406; 12.203 90; 94.92; 90 | 1650.9 | Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties CrystEngComm, 2019, 21, 1242 |
7232193 | CIF | C34 H42 Cu3 N16 | P -1 | 8.0872; 10.2331; 23.4179 88.45; 80.956; 86.568 | 1910.17 | Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties CrystEngComm, 2019, 21, 1242 |
7232194 | CIF | C16.62 H18 Cu4 N10.38 | P 21 21 2 | 13.0156; 14.3792; 12.3581 90; 90; 90 | 2312.87 | Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhou, Bai-Bin; Su, Zhong-Min Copper cyanide polymers with controllable dimensions modulated by rigid and flexible bis-(imidazole) ligands: synthesis, crystal structure and fluorescence properties CrystEngComm, 2019, 21, 1242 |
7232195 | CIF | C7 H7 N O2 | P 1 n 1 | 6.4341; 4.6151; 10.5313 90; 100.73; 90 | 307.25 | Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H. Discovery and recovery of delta p-aminobenzoic acid CrystEngComm, 2019, 21, 2058 |
7232196 | CIF | C7 H7 N O2 | P 1 n 1 | 6.4003; 4.5981; 10.4452 90; 100.748; 90 | 302 | Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H. Discovery and recovery of delta p-aminobenzoic acid CrystEngComm, 2019, 21, 2058 |
7232197 | CIF | C7 H7 N O2 | P 1 n 1 | 6.4342; 4.6146; 10.5397 90; 100.667; 90 | 307.53 | Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H. Discovery and recovery of delta p-aminobenzoic acid CrystEngComm, 2019, 21, 2058 |
7232198 | CIF | C7 H7 N O2 | P 1 n 1 | 6.4551; 4.674; 10.547 90; 100.754; 90 | 312.63 | Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H. Discovery and recovery of delta p-aminobenzoic acid CrystEngComm, 2019, 21, 2058 |
7232199 | CIF | C7 H7 N O2 | P 1 n 1 | 6.5086; 4.6661; 10.7596 90; 100.685; 90 | 321.1 | Ward, Martin R.; Younis, Shatha; Cruz-Cabeza, Aurora J.; Bull, Craig L.; Funnell, Nicholas P.; Oswald, Iain D. H. Discovery and recovery of delta p-aminobenzoic acid CrystEngComm, 2019, 21, 2058 |
7232202 | CIF | C42 H44 Ba Cl8 Fe2 O6 S8 | P -1 | 10.672; 10.887; 25.613 94.871; 97.871; 94.413 | 2925.3 | Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations CrystEngComm, 2019, 21, 1423 |
7232203 | CIF | C14 H14 Fe K O S4 | P 1 21/c 1 | 7.5364; 9.164; 24.2084 90; 91.334; 90 | 1671.5 | Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations CrystEngComm, 2019, 21, 1423 |
7232204 | CIF | C56 H76 Cl8 Fe Ni2 O10 S8 | P -1 | 10.9301; 13.295; 14.7803 63.606; 76.591; 69.262 | 1792.14 | Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations CrystEngComm, 2019, 21, 1423 |
7232205 | CIF | C45 H56 Ca Cl8 Fe2 O10 S8 | P -1 | 12.7382; 13.0035; 21.73 86.715; 89.542; 63.187 | 3206.5 | Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations CrystEngComm, 2019, 21, 1423 |
7232206 | CIF | C48 H56 Cl8 Fe3 O10 S8 | P -1 | 10.6545; 11.3055; 14.3597 93.025; 111.05; 98.246 | 1587.36 | Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations CrystEngComm, 2019, 21, 1423 |
7232207 | CIF | C34 H37 Cl7 K O6 S6 Zn3 | P -1 | 13.7557; 13.7884; 14.2273 94.417; 112.471; 105.827 | 2348.67 | Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations CrystEngComm, 2019, 21, 1423 |
7232208 | CIF | C42 H50 Cl8 Fe2 N6 O6 S8 Zn | P -1 | 9.968; 13.477; 14.244 108.073; 109.857; 93.674 | 1679.9 | Castillo, Oscar; Delgado, Esther; Hernández, Diego; Hernández, Elisa; Martín, Avelino; Zamora, Félix Synthesis and structural characterization of transition metal dithiolene derivatives containing divalent metals as counter-cations CrystEngComm, 2019, 21, 1423 |
7232209 | CIF | C20 H19 N3 O Se | P -1 | 8.3674; 9.8399; 10.6622 93.296; 93.021; 101.21 | 857.86 | Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm, 2019, 21, 1539 |
7232210 | CIF | C20 H23 N3 O Se | P 1 21/c 1 | 10.1249; 15.9246; 11.466 90; 106.572; 90 | 1771.93 | Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm, 2019, 21, 1539 |
7232211 | CIF | C21 H24 N2 O Se | P 1 21/c 1 | 10.161; 16.0506; 11.43 90; 104.622; 90 | 1803.75 | Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm, 2019, 21, 1539 |
7232212 | CIF | C14 H8 N2 O Se | P c a 21 | 17.371; 5.308; 11.633 90; 90; 90 | 1072.6 | Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm, 2019, 21, 1539 |
7232213 | CIF | C14 H11 N O Se | P c a 21 | 11.7848; 4.5869; 21.3572 90; 90; 90 | 1154.48 | Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm, 2019, 21, 1539 |
7232214 | CIF | C19 H13 N3 O Se | P 1 21/c 1 | 20.7476; 4.9407; 17.6687 90; 107.376; 90 | 1728.53 | Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm, 2019, 21, 1539 |
7232215 | CIF | C21 H21 N3 O Se | P -1 | 9.6002; 10.2109; 19.838 78.71; 84.901; 77.458 | 1859.33 | Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm, 2019, 21, 1539 |
7232216 | CIF | C21 H18 N4 O Se | P -1 | 8.8093; 10.7445; 10.9812 111.687; 109.283; 96.631 | 877.57 | Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm, 2019, 21, 1539 |
7232217 | CIF | C21 H23 N3 O2 Se | P -1 | 9.6254; 10.2486; 10.6505 83.66; 76.398; 78.423 | 998.19 | Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm, 2019, 21, 1539 |
7232225 | CIF | C6 H4 Cl2 O6 S | P -1 | 7.2451; 7.8674; 16.65 87.647; 86.278; 83.882 | 941.1 | Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R. “Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds CrystEngComm, 2019, 21, 1499 |
7232226 | CIF | C6 H4 Cl2 O6 S | P 1 21/c 1 | 7.7319; 9.613; 13.2774 90; 96.761; 90 | 980 | Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R. “Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds CrystEngComm, 2019, 21, 1499 |
7232227 | CIF | C6 H4 Br2 O6 S | P 1 21/c 1 | 7.953; 9.744; 13.366 90; 97.174; 90 | 1027.7 | Lodochnikova, Olga A.; Latypova, Liliya Z.; Madzhidov, Timur I.; Chmutova, Galina A.; Voronina, Julia K.; Gubaidullin, Aidar T.; Kurbangalieva, Almira R. “Lp⋯synthon” interaction as a reason for the strong amplification of synthon-forming hydrogen bonds CrystEngComm, 2019, 21, 1499 |
7232228 | CIF | C11 H15 N3 O S | C 1 2/c 1 | 15.0421; 11.2751; 15.5078 90; 104.491; 90 | 2546.47 | Tarai, Arup; Baruah, Jubaraj Bikash Separation or combination of non-covalently linked partners provides polymorphs of N-(aryl)-2-(propan-2-ylidene)hydrazine carbothioamides CrystEngComm, 2019, 21, 1397 |
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