Crystallography Open Database
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Searching journal of publication like 'CrystEngComm' volume of publication is 21
COD ID: 1551207 | |
CIF file | Formula: - C67 H117 N Si2 - Comments: 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 21(26) (2019) 3910 Space group: C 1 2/c 1 Cell volume: 6486.2 Cell parameters: 34.673; 12.09; 17.728; 90; 119.214; 90; |
COD ID: 1551208 | |
CIF file | Formula: - C19 H27 N Si2 - Comments: 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 21(26) (2019) 3910 Space group: P 1 21/n 1 Cell volume: 1978.7 Cell parameters: 15.104; 6.317; 20.8662; 90; 96.345; 90; |
COD ID: 7231067 | |
CIF file | Formula: - C26 H37 N11 O7 - Comments: 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 21(13) (2019) 2097 Space group: P 1 21/n 1 Cell volume: 2864.58 Cell parameters: 7.5056; 25.0862; 15.2376; 90; 93.195; 90; |
COD ID: 7231068 | |
CIF file | Formula: - C11 H15 N5 O3 - Comments: 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 21(13) (2019) 2097 Space group: P -1 Cell volume: 626.18 Cell parameters: 6.6482; 8.7311; 10.9852; 82.631; 84.273; 83.701; |
COD ID: 7231305 | |
CIF file | Formula: - C26 H24 Cl N5 O3 S - Comments: 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 21(13) (2019) 2043 Space group: P 1 21/n 1 Cell volume: 2522.3 Cell parameters: 7.2851; 9.0281; 38.51; 90; 95.23; 90; |
COD ID: 7231306 | |
CIF file | Formula: - C26 H24 Cl N5 O3 S - Comments: 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 21(13) (2019) 2043 Space group: P 1 21/c 1 Cell volume: 2541.21 Cell parameters: 7.3151; 8.937; 38.9526; 90; 93.702; 90; |
COD ID: 7231307 | |
CIF file | Formula: - C22 H23 Cl N4 O4 S - Comments: 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 21(13) (2019) 2043 Space group: P 1 21/c 1 Cell volume: 2337 Cell parameters: 7.765; 8.741; 34.52; 90; 93.96; 90; |
COD ID: 7231308 | |
CIF file | Formula: - C28 H24 Cl N5 O3 S - Comments: 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 21(13) (2019) 2043 Space group: P 1 21/c 1 Cell volume: 2631.68 Cell parameters: 7.1759; 9.4074; 39.0523; 90; 93.389; 90; |
COD ID: 7231309 | |
CIF file | Formula: - C28 H28 Cl N5 O4 S - Comments: 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 21(13) (2019) 2043 Space group: P -1 Cell volume: 2804.46 Cell parameters: 12.2238; 14.8267; 16.2328; 93.228; 107.264; 90.122; |
COD ID: 7231360 | |
CIF file | Formula: - C19 H19 N5 O5 S2 - Comments: 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 21(13) (2019) 2089 Space group: P b c a Cell volume: 4227.7 Cell parameters: 10.4993; 16.0117; 25.1481; 90; 90; 90; |
COD ID: 7231361 | |
CIF file | Formula: - C19 H19 N5 O5 S2 - Comments: 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 21(13) (2019) 2089 Space group: P 1 21/c 1 Cell volume: 1953.97 Cell parameters: 8.0291; 17.5002; 14.6076; 90; 107.827; 90; |
COD ID: 7231714 | |
CIF file | Formula: - C52 H88 Br2 Cl2 N6 O2 - Comments: Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm 21(1) (2019) 65 Space group: P 1 21/n 1 Cell volume: 2971.5 Cell parameters: 8.9461; 16.1753; 20.8774; 90; 100.396; 90; |
COD ID: 7231715 | |
CIF file | Formula: - C72 H104 Cl4 N10 O8 S - Comments: Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm 21(1) (2019) 65 Space group: P 1 21/c 1 Cell volume: 3999 Cell parameters: 18.1061; 13.5141; 17.5192; 90; 111.113; 90; |
COD ID: 7231716 | |
CIF file | Formula: - C52 H88 Br2 Cl2 N6 O2 - Comments: Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm 21(1) (2019) 65 Space group: P 1 21/n 1 Cell volume: 2940.8 Cell parameters: 9.0143; 15.6469; 21.0997; 90; 98.821; 90; |
COD ID: 7231717 | |
CIF file | Formula: - C56 H94 Br2 N6 O6 - Comments: Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm 21(1) (2019) 65 Space group: P 1 21/c 1 Cell volume: 6189 Cell parameters: 13.2635; 16.5661; 28.231; 90; 93.852; 90; |
COD ID: 7231718 | |
CIF file | Formula: - C56 H94 Cl2 N6 O6 - Comments: Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm 21(1) (2019) 65 Space group: P 1 21/c 1 Cell volume: 6169.3 Cell parameters: 13.2862; 16.574; 28.0803; 90; 93.874; 90; |
COD ID: 7231719 | |
CIF file | Formula: - C54 H90 Cl2 N6 O8 - Comments: Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm 21(1) (2019) 65 Space group: P -1 Cell volume: 1461.4 Cell parameters: 8.4539; 10.2145; 18.1488; 92.095; 99.967; 107.977; |
COD ID: 7231720 | |
CIF file | Formula: - C52 H88 Br4 N6 O2 - Comments: Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm 21(1) (2019) 65 Space group: P 1 21/n 1 Cell volume: 2992.3 Cell parameters: 8.9473; 16.101; 21.153; 90; 100.9; 90; |
COD ID: 7231721 | |
CIF file | Formula: - C58 H104 Br2 N8 O12 S2 - Comments: Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm 21(1) (2019) 65 Space group: P -1 Cell volume: 1741.7 Cell parameters: 8.2364; 10.9069; 20.0064; 85.053; 79.089; 81.371; |
COD ID: 7231722 | |
CIF file | Formula: - C52 H92 Cl2 N6 O10 P2 - Comments: Manna, Utsab; Das, Gopal Halo-phenyl based linear dipodal receptors for entrapment of anions/anionic associations within neutral non-cooperative self-assemblies CrystEngComm 21(1) (2019) 65 Space group: P -1 Cell volume: 1511.05 Cell parameters: 8.4459; 11.6202; 15.6367; 82.597; 83.548; 86.964; |
COD ID: 7231736 | |
CIF file | Formula: - C20 H14 Hg N6 O S2 - Comments: 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 21(1) (2019) 108 Space group: C 1 2/c 1 Cell volume: 4224.8 Cell parameters: 28.861; 9.191; 17.149; 90; 111.76; 90; |
COD ID: 7231737 | |
CIF file | Formula: - C15 H12 Hg N6 O S2 - Comments: 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 21(1) (2019) 108 Space group: P 1 21/c 1 Cell volume: 1748.48 Cell parameters: 12.9176; 7.7756; 17.4321; 90; 93.026; 90; |
COD ID: 7231754 | |
CIF file | Formula: - C6 H12 O2 - Comments: 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 21(1) (2019) 41 Space group: P 1 21/c 1 Cell volume: 705.9 Cell parameters: 7.309; 16.54; 6.169; 90; 108.823; 90; |
COD ID: 7231755 | |
CIF file | Formula: - C12 H24 O2 - Comments: 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 21(1) (2019) 41 Space group: P -1 Cell volume: 1272.4 Cell parameters: 5.568; 7.214; 31.782; 89.956; 85.324; 89.866; |
COD ID: 7231756 | |
CIF file | Formula: - C9 H18 O2 - Comments: 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 21(1) (2019) 41 Space group: P b c n Cell volume: 1988 Cell parameters: 50.25; 7.055; 5.609; 90; 90; 90; |
COD ID: 7231757 | |
CIF file | Formula: - C10 H20 O2 - Comments: 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 21(1) (2019) 41 Space group: P -1 Cell volume: 1080.7 Cell parameters: 5.565; 7.183; 27.043; 90.145; 91.445; 90.099; |
COD ID: 7231758 | |
CIF file | Formula: - C8 H16 O2 - Comments: 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 21(1) (2019) 41 Space group: P 1 21/n 1 Cell volume: 870 Cell parameters: 9.173; 5.6554; 17.357; 90; 104.928; 90; |
COD ID: 7231759 | |
CIF file | Formula: - C13 H26 O2 - Comments: 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 21(1) (2019) 41 Space group: P b c n Cell volume: 2689.9 Cell parameters: 67.94; 7.1161; 5.5638; 90; 90; 90; |
COD ID: 7231760 | |
CIF file | Formula: - C7 H14 O2 - Comments: 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 21(1) (2019) 41 Space group: C 1 2/c 1 Cell volume: 1553.5 Cell parameters: 38.19; 4.088; 9.951; 90; 90.206; 90; |
COD ID: 7231761 | |
CIF file | Formula: - C14 H28 O2 - Comments: 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 21(1) (2019) 41 Space group: P -1 Cell volume: 1439.3 Cell parameters: 5.5474; 7.1923; 36.076; 89.983; 89.626; 89.903; |
COD ID: 7231762 | |
CIF file | Formula: - C11 H22 O2 - Comments: 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 21(1) (2019) 41 Space group: P b c n Cell volume: 2329.4 Cell parameters: 58.86; 7.1; 5.574; 90; 90; 90; |
COD ID: 7231779 | |
CIF file | Formula: - C48 H31 O13.5 Zn4 - Comments: 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 21(1) (2019) 60 Space group: C 1 2/m 1 Cell volume: 10082 Cell parameters: 24.47; 24.029; 17.149; 90; 90.869; 90; |
COD ID: 7231792 | |
CIF file | Formula: - C7 H10 F N2 O5 - Comments: Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus Co-crystallization and polymorphic behaviour of 5-fluorouracil CrystEngComm 21(13) (2019) 2130 Space group: P -1 Cell volume: 481.8 Cell parameters: 5.06; 6.392; 15.823; 87.32; 83.9; 71.23; |
COD ID: 7231793 | |
CIF file | Formula: - C6 H8 F N2 O5 - Comments: Enkelmann, Dennis D.; Handelmann, Jens; Schauerte, Carsten; Merz, Klaus Co-crystallization and polymorphic behaviour of 5-fluorouracil CrystEngComm 21(13) (2019) 2130 Space group: P -1 Cell volume: 427.5 Cell parameters: 5.443; 5.845; 14.47; 92.228; 94.392; 110.98; |
COD ID: 7231794 | |
CIF file | Formula: - C23 H28 N4 O3 - Comments: 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 21(1) (2019) 94 Space group: P 1 21/n 1 Cell volume: 2201.4 Cell parameters: 13.215; 10.327; 16.162; 90; 93.56; 90; |
COD ID: 7231795 | |
CIF file | Formula: - C50 H56 N10 S4 Zn - Comments: 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 21(1) (2019) 94 Space group: C 1 2/c 1 Cell volume: 5113 Cell parameters: 20.941; 11.461; 22.337; 90; 107.49; 90; |
COD ID: 7231796 | |
CIF file | Formula: - C26 H27 Hg N6 S3 - Comments: 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 21(1) (2019) 94 Space group: P -1 Cell volume: 1445.5 Cell parameters: 11.226; 11.535; 11.969; 108.012; 100.682; 90.099; |
COD ID: 7231834 | |
CIF file | Formula: - C26 H33 N3 O6 - Comments: 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 21(2) (2019) 236 Space group: P 1 21 1 Cell volume: 1289.6 Cell parameters: 15.407; 5.8843; 15.664; 90; 114.753; 90; |
COD ID: 7231835 | |
CIF file | Formula: - C25 H31 N3 O6 - Comments: 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 21(2) (2019) 236 Space group: P 1 21 1 Cell volume: 1200.72 Cell parameters: 4.96731; 19.4022; 12.4703; 90; 92.486; 90; |
COD ID: 7231836 | |
CIF file | Formula: - C28 H18 N4 O5 - Comments: 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 21(2) (2019) 207 Space group: P c c n Cell volume: 4438.2 Cell parameters: 19.4892; 21.6795; 10.5043; 90; 90; 90; |
COD ID: 7231837 | |
CIF file | Formula: - C35 H34 Cl2 N4 O7 Zn - Comments: 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 21(2) (2019) 207 Space group: P 1 2/c 1 Cell volume: 1721.06 Cell parameters: 11.1935; 9.2331; 16.7061; 90; 94.587; 90; |
COD ID: 7231838 | |
CIF file | Formula: - C26 H22 Cl4 N4 O6 Zn - Comments: 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 21(2) (2019) 207 Space group: P -1 Cell volume: 1370.28 Cell parameters: 9.8295; 10.6901; 13.3737; 98.589; 94.244; 97.801; |
COD ID: 7231839 | |
CIF file | Formula: - C26 H18 Cl2 N4 O4 - Comments: 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 21(2) (2019) 207 Space group: P -1 Cell volume: 549 Cell parameters: 4.9197; 9.297; 12.906; 109.588; 98.253; 91.039; |
COD ID: 7231840 | |
CIF file | Formula: - C28 H19 Cl2 N5 O4 Zn - Comments: 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 21(2) (2019) 207 Space group: P n n a Cell volume: 2628.33 Cell parameters: 10.8226; 23.0562; 10.5332; 90; 90; 90; |
COD ID: 7231841 | |
CIF file | Formula: - C26 H16 Ag F6 N4 O4 Sb - Comments: 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 21(2) (2019) 207 Space group: P 1 21/c 1 Cell volume: 1232.02 Cell parameters: 8.6209; 17.8581; 8.0036; 90; 90.903; 90; |
COD ID: 7231842 | |
CIF file | Formula: - C39 H43 N5 O24 Pr2 - Comments: 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 21(4) (2019) 694 Space group: P b c n Cell volume: 4977 Cell parameters: 11.978; 14.504; 28.647; 90; 90; 90; |
COD ID: 7231843 | |
CIF file | Formula: - C39 H43 Dy2 N5 O24 - Comments: 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 21(4) (2019) 694 Space group: P b c n Cell volume: 4861.2 Cell parameters: 12.0109; 14.1322; 28.639; 90; 90; 90; |
COD ID: 7231844 | |
CIF file | Formula: - C36 H52 Cl4 Cu Na O6 S4 - Comments: 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 21(6) (2019) 957 Space group: C 1 2/c 1 Cell volume: 4254.8 Cell parameters: 21.805; 12.6126; 16.2518; 90; 107.833; 90; |
COD ID: 7231845 | |
CIF file | Formula: - C68 H46 Cl16 Cu8 N10 S16 - Comments: 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 21(6) (2019) 957 Space group: P 1 21/c 1 Cell volume: 4609.5 Cell parameters: 7.8265; 13.197; 44.68; 90; 92.759; 90; |
COD ID: 7231846 | |
CIF file | Formula: - C12 H4 Cl4 Cu O Rb S4 - Comments: 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 21(6) (2019) 957 Space group: C 1 2/c 1 Cell volume: 1769.9 Cell parameters: 26.295; 3.9413; 17.479; 90; 102.299; 90; |
COD ID: 7231847 | |
CIF file | Formula: - C12 H4 Cl4 Cu K O S4 - Comments: 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 21(6) (2019) 957 Space group: C 1 2/c 1 Cell volume: 1758.58 Cell parameters: 26.2707; 3.9461; 17.367; 90; 102.37; 90; |
COD ID: 7231848 | |
CIF file | Formula: - C36 H52 Cl4 Cu K O6 S4 - Comments: 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 21(6) (2019) 957 Space group: P 1 21/n 1 Cell volume: 2263.16 Cell parameters: 12.2137; 12.4992; 15.7574; 90; 109.812; 90; |
COD ID: 7231864 | |
CIF file | Formula: - Al13 H53 O67 S3 - Comments: 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 21(2) (2019) 202 Space group: P 1 n 1 Cell volume: 2775.9 Cell parameters: 14.03; 11.502; 17.598; 90; 102.18; 90; |
COD ID: 7231865 | |
CIF file | Formula: - Al13 H12 Na O70 S4 - Comments: 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 21(2) (2019) 202 Space group: F -4 3 m Cell volume: 5619.8 Cell parameters: 17.779; 17.779; 17.779; 90; 90; 90; |
COD ID: 7231881 | |
CIF file | Formula: - C61 H25 Eu2 N O20 - Comments: 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 21(2) (2019) 321 Space group: P -1 Cell volume: 3260.1 Cell parameters: 10.593; 15.5318; 21.2702; 71.268; 79.79; 85.077; |
COD ID: 7231882 | |
CIF file | Formula: - C61 H30 N O20 Tb2 - Comments: 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 21(2) (2019) 321 Space group: P -1 Cell volume: 3185.7 Cell parameters: 10.5886; 15.1959; 21.2747; 71.86; 79.293; 82.292; |
COD ID: 7231883 | |
CIF file | Formula: - C61 H25 Dy2 N O20 - Comments: 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 21(2) (2019) 321 Space group: P -1 Cell volume: 3183.38 Cell parameters: 10.5924; 15.1775; 21.2599; 71.994; 79.331; 82.276; |
COD ID: 7231884 | |
CIF file | Formula: - C68 H25 Gd2 N4 O22 - Comments: 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 21(2) (2019) 321 Space group: P -1 Cell volume: 3205.4 Cell parameters: 10.604; 15.2602; 21.269; 71.882; 79.392; 82.535; |
COD ID: 7231885 | |
CIF file | Formula: - C6 H35 Ca0 Cu Mo5 N6 O28.5 P2 - Comments: 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 21(3) (2019) 394 Space group: C 1 c 1 Cell volume: 3265.4 Cell parameters: 14.8162; 14.5193; 16.0799; 90; 109.266; 90; |
COD ID: 7231886 | |
CIF file | Formula: - C12 H78 Cu4 Mo10 N12 O65 P4 - Comments: 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 21(3) (2019) 394 Space group: C 1 2/c 1 Cell volume: 8053 Cell parameters: 28.685; 18.298; 18.24; 90; 122.743; 90; |
COD ID: 7231887 | |
CIF file | Formula: - C20 H28 Cl3 N3 O3 - Comments: 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 21(13) (2019) 2053 Space group: P 1 21/n 1 Cell volume: 2274.93 Cell parameters: 7.6961; 10.9153; 27.2368; 90; 96.1341; 90; |
COD ID: 7231888 | |
CIF file | Formula: - C14 H14 N2 O4 - Comments: 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 21(13) (2019) 2119 Space group: P n a 21 Cell volume: 2517.8 Cell parameters: 26.744; 3.866; 24.352; 90; 90; 90; |
COD ID: 7231889 | |
CIF file | Formula: - C15 H18 N2 O3 - Comments: 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 21(13) (2019) 2119 Space group: P n a 21 Cell volume: 1436.26 Cell parameters: 12.8319; 11.667; 9.5936; 90; 90; 90; |
COD ID: 7231890 | |
CIF file | Formula: - C11 H11 N3 O5 - Comments: 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 21(13) (2019) 2119 Space group: P 1 21/n 1 Cell volume: 1124.15 Cell parameters: 7.6177; 6.5936; 22.5748; 90; 97.516; 90; |
COD ID: 7231891 | |
CIF file | Formula: - C14 H14 N2 O4 - Comments: 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 21(13) (2019) 2119 Space group: P 1 21/c 1 Cell volume: 1297.7 Cell parameters: 3.9358; 15.944; 20.68; 90; 90.305; 90; |
COD ID: 7231892 | |
CIF file | Formula: - C12 H13 N3 O4 - Comments: 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 21(13) (2019) 2119 Space group: C 1 2/c 1 Cell volume: 2456.8 Cell parameters: 10.1018; 11.3577; 21.6477; 90; 98.4472; 90; |
COD ID: 7231901 | |
CIF file | Formula: - B K3 O13 Sb4 - Comments: 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 21(4) (2019) 594 Space group: P -1 Cell volume: 594.55 Cell parameters: 7.1167; 7.2147; 13.2268; 81.973; 99.788; 117.046; |
COD ID: 7231902 | |
CIF file | Formula: - B O13 Rb3 Sb4 - Comments: 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 21(4) (2019) 594 Space group: P -1 Cell volume: 611.75 Cell parameters: 7.1593; 7.2533; 13.4894; 82.358; 99.999; 117.321; |
COD ID: 7231903 | |
CIF file | Formula: - B K0.99 O13 Rb2.01 Sb4 - Comments: 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 21(4) (2019) 594 Space group: P -1 Cell volume: 606.16 Cell parameters: 7.1456; 7.239; 13.4113; 82.058; 100.051; 117.205; |
COD ID: 7231905 | |
CIF file | Formula: - C H6 Cl3 N Pb - Comments: Nandi, Pronoy; Giri, Chandan; Swain, Diptikanta; Manju, U.; Topwal, Dinesh Room temperature growth of CH3NH3PbCl3 single crystals by solvent evaporation method CrystEngComm 21(4) (2019) 656 Space group: P m -3 m Cell volume: 183.9 Cell parameters: 5.6867; 5.6867; 5.6867; 90; 90; 90; |
COD ID: 7231906 | |
CIF file | Formula: - C18 H20 Cu N6 O14 - Comments: 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 21(3) (2019) 462 Space group: P -1 Cell volume: 587.69 Cell parameters: 6.8028; 8.47; 11.01; 73.643; 87.812; 75.045; |
COD ID: 7231907 | |
CIF file | Formula: - C8 H5 Cu2 N6 O8 - Comments: 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 21(3) (2019) 462 Space group: P 1 21/n 1 Cell volume: 1232.7 Cell parameters: 7.889; 8.2289; 19.101; 90; 96.213; 90; |
COD ID: 7231908 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M. Accuracy and reproducibility in crystal structure prediction: the curious case of ROY CrystEngComm 21(13) (2019) 2080 Space group: P 1 21/c 1 Cell volume: 1161.63 Cell parameters: 3.8517; 18.458; 16.3545; 90; 92.481; 90; |
COD ID: 7231909 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Nyman, Jonas; Yu, Lian; Reutzel-Edens, Susan M. Accuracy and reproducibility in crystal structure prediction: the curious case of ROY CrystEngComm 21(13) (2019) 2080 Space group: P 1 21/c 1 Cell volume: 1161.63 Cell parameters: 3.8517; 18.458; 16.3545; 90; 92.481; 90; |
COD ID: 7231912 | |
CIF file | Formula: - C30 H40 Cu2 I2 N10 - Comments: 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 21(2) (2019) 251 Space group: P 1 21/n 1 Cell volume: 3400.79 Cell parameters: 15.8546; 11.2212; 19.1473; 90; 93.305; 90; |
COD ID: 7231913 | |
CIF file | Formula: - C16 H24 Cl2 Cu2 N6 O2 - Comments: 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 21(2) (2019) 251 Space group: P 1 21/n 1 Cell volume: 2136.1 Cell parameters: 8.213; 10.6509; 24.483; 90; 94.124; 90; |
COD ID: 7231914 | |
CIF file | Formula: - C24 H36 Br4 Cu4 N8 O4 - Comments: 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 21(2) (2019) 251 Space group: P 1 21/n 1 Cell volume: 1622.87 Cell parameters: 8.9045; 14.2825; 12.8264; 90; 95.806; 90; |
COD ID: 7231915 | |
CIF file | Formula: - C29 H25 Cd N5 O7 - Comments: 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 21(3) (2019) 535 Space group: P -1 Cell volume: 1383 Cell parameters: 9.949; 11.344; 12.395; 98.565; 90.042; 91.149; |
COD ID: 7231916 | |
CIF file | Formula: - C40 H26 N4 O13 S2 Zn2 - Comments: 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 21(3) (2019) 535 Space group: P 1 Cell volume: 1361.7 Cell parameters: 9.894; 12.719; 12.789; 60.037; 77.603; 83.457; |
COD ID: 7231917 | |
CIF file | Formula: - Li O U - Comments: Traustason, H.; Aksenov, S. M.; Burns, P. C. The lithium‒water configuration encapsulated by uranyl peroxide cage cluster U24 CrystEngComm 21(3) (2019) 390 Space group: P -1 Cell volume: 17980 Cell parameters: 19.278; 30.847; 31.788; 103.418; 99.2516; 95.3487; |
COD ID: 7231918 | |
CIF file | Formula: - C28 H38 N2 O5 - Comments: 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 21(13) (2019) 2144 Space group: P 1 21 1 Cell volume: 2574.5 Cell parameters: 8.8708; 15.609; 18.593; 90; 90.01; 90; |
COD ID: 7231919 | |
CIF file | Formula: - C26.5 H38.5 N3 O3.75 - Comments: 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 21(13) (2019) 2144 Space group: C 1 2 1 Cell volume: 2497.5 Cell parameters: 32.061; 11.0501; 7.0657; 90; 93.859; 90; |
COD ID: 7231920 | |
CIF file | Formula: - C28 H38 N2 O5 - Comments: 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 21(13) (2019) 2144 Space group: P 1 21 1 Cell volume: 2457.19 Cell parameters: 9.6635; 23.495; 11.8249; 90; 113.761; 90; |
COD ID: 7231921 | |
CIF file | Formula: - C29 H38 N2 O5 - Comments: 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 21(13) (2019) 2144 Space group: P 1 21 1 Cell volume: 2606.1 Cell parameters: 7.866; 11.3879; 29.2351; 90; 95.638; 90; |
COD ID: 7231922 | |
CIF file | Formula: - C8 H3 N S3 - Comments: 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 21(4) (2019) 637 Space group: P c a 21 Cell volume: 1656.7 Cell parameters: 30.935; 3.8492; 13.9128; 90; 90; 90; |
COD ID: 7231923 | |
CIF file | Formula: - C13 H6 I3 N S6 - Comments: 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 21(4) (2019) 637 Space group: C 1 2/c 1 Cell volume: 3924.5 Cell parameters: 9.4744; 15.4187; 26.876; 90; 91.64; 90; |
COD ID: 7231924 | |
CIF file | Formula: - C13 H7 N S6 - Comments: 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 21(4) (2019) 637 Space group: P c a 21 Cell volume: 1418.12 Cell parameters: 14.1394; 4.065; 24.6729; 90; 90; 90; |
COD ID: 7231925 | |
CIF file | Formula: - C26 H14 N2 S12 - Comments: 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 21(4) (2019) 637 Space group: P -1 Cell volume: 1424.22 Cell parameters: 7.7442; 7.744; 26.3522; 81.877; 83.912; 65.73; |
COD ID: 7231926 | |
CIF file | Formula: - C8 H3 N O S2 - Comments: 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 21(4) (2019) 637 Space group: P 1 21/c 1 Cell volume: 782.13 Cell parameters: 3.8349; 14.8206; 13.7718; 90; 92.231; 90; |
COD ID: 7231927 | |
CIF file | Formula: - C101 H86 Cu2 N5 O21 - Comments: 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 21(3) (2019) 487 Space group: C 2 2 21 Cell volume: 10326.6 Cell parameters: 22.4236; 29.6641; 15.5246; 90; 90; 90; |
COD ID: 7231928 | |
CIF file | Formula: - C48 H56 O13 - Comments: Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm 21(3) (2019) 439 Space group: P 1 21/c 1 Cell volume: 4629.1 Cell parameters: 12.99; 17.916; 20.699; 90; 106.068; 90; |
COD ID: 7231929 | |
CIF file | Formula: - C45 H36 O11 - Comments: Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm 21(3) (2019) 439 Space group: P -1 Cell volume: 1874.9 Cell parameters: 10.236; 13.402; 15.695; 64.813; 74.226; 83.78; |
COD ID: 7231930 | |
CIF file | Formula: - C44 H32 O10 - Comments: Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm 21(3) (2019) 439 Space group: P n m a Cell volume: 3910.2 Cell parameters: 27.04; 17.777; 8.1345; 90; 90; 90; |
COD ID: 7231931 | |
CIF file | Formula: - C44 H52 O11 - Comments: Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm 21(3) (2019) 439 Space group: F d d d :2 Cell volume: 17327 Cell parameters: 22.73; 26.88; 28.36; 90; 90; 90; |
COD ID: 7231932 | |
CIF file | Formula: - C45 H52 O12 - Comments: Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm 21(3) (2019) 439 Space group: P 1 21/n 1 Cell volume: 4425.9 Cell parameters: 10.6822; 17.951; 23.18; 90; 95.295; 90; |
COD ID: 7231933 | |
CIF file | Formula: - C42.25 H51 O13 - Comments: Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm 21(3) (2019) 439 Space group: P 1 21/n 1 Cell volume: 4038.5 Cell parameters: 10.6209; 17.125; 22.296; 90; 95.218; 90; |
COD ID: 7231934 | |
CIF file | Formula: - C64 H68 N4 O12 - Comments: Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm 21(3) (2019) 439 Space group: I 41/a :2 Cell volume: 5864 Cell parameters: 18.745; 18.745; 16.688; 90; 90; 90; |
COD ID: 7231935 | |
CIF file | Formula: - C44 H48 O12 - Comments: Xiao, Zufeng; Yang, Weiping; Yan, Fengyi; Ji, Lingbo; Li, Wei; Wang, Wei Assembly of calix[4]arene carboxylic acid derivatives by hydrogen bonding CrystEngComm 21(3) (2019) 439 Space group: P -4 Cell volume: 3919 Cell parameters: 17.9565; 17.9565; 12.1543; 90; 90; 90; |
COD ID: 7231936 | |
CIF file | Formula: - C19 H12 Cl3 F2 N2 O3 Re - Comments: Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R. New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies CrystEngComm 21(1) (2019) 77 Space group: P -1 Cell volume: 1064.83 Cell parameters: 7.148; 9.283; 17.067; 105.716; 98.767; 95.949; |
COD ID: 7231937 | |
CIF file | Formula: - C19 H12 Br Cl4 N2 O3 Re - Comments: Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R. New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies CrystEngComm 21(1) (2019) 77 Space group: P -1 Cell volume: 1104.65 Cell parameters: 7.1653; 10.1441; 16.1968; 86.971; 82.27; 71.257; |
COD ID: 7231938 | |
CIF file | Formula: - C19 H12 Br2 Cl F2 N2 O3 Re - Comments: Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R. New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies CrystEngComm 21(1) (2019) 77 Space group: P -1 Cell volume: 1062.4 Cell parameters: 7.3756; 8.8914; 16.9636; 98.004; 90.442; 105.113; |
COD ID: 7231939 | |
CIF file | Formula: - C19 H12 Br Cl2 F2 N2 O3 Re - Comments: Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R. New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies CrystEngComm 21(1) (2019) 77 Space group: P -1 Cell volume: 1081.25 Cell parameters: 7.36; 9.208; 16.59; 101.508; 94.97; 98.653; |
COD ID: 7231940 | |
CIF file | Formula: - C19 H12 Cl5 N2 O3 Re - Comments: Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R. New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies CrystEngComm 21(1) (2019) 77 Space group: P 1 21/c 1 Cell volume: 2267.86 Cell parameters: 7.121; 33.788; 9.478; 90; 96.024; 90; |
COD ID: 7231941 | |
CIF file | Formula: - C19 H12 Cl3 F2 N2 O3 Re - Comments: Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R. New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies CrystEngComm 21(1) (2019) 77 Space group: P 1 21/c 1 Cell volume: 2076.98 Cell parameters: 15.453; 7.073; 23.529; 90; 126.135; 90; |
COD ID: 7231942 | |
CIF file | Formula: - C19 H12 Cl3 F2 N2 O3 Re - Comments: Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R. New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies CrystEngComm 21(1) (2019) 77 Space group: P -1 Cell volume: 1017.88 Cell parameters: 7.3006; 11.598; 12.6789; 104.105; 97.855; 96.998; |
COD ID: 7231943 | |
CIF file | Formula: - C21 H12 Br Cl2 F6 N2 O3 Re - Comments: Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R. New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies CrystEngComm 21(1) (2019) 77 Space group: P 1 21/c 1 Cell volume: 2461.3 Cell parameters: 7.2547; 26.904; 12.6293; 90; 93.127; 90; |
COD ID: 7231944 | |
CIF file | Formula: - C21 H12 Br Cl2 F6 N2 O3 Re - Comments: Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R. New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies CrystEngComm 21(1) (2019) 77 Space group: P 1 21/c 1 Cell volume: 2782.33 Cell parameters: 9.6938; 12.9012; 22.2519; 90; 91.119; 90; |
COD ID: 7231945 | |
CIF file | Formula: - C32 H72 I6 N2 Pt2 - Comments: 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 21(4) (2019) 616 Space group: P 1 21/c 1 Cell volume: 4694.13 Cell parameters: 14.5589; 13.8558; 23.7553; 90; 101.602; 90; |
COD ID: 7231946 | |
CIF file | Formula: - C22 H36 F5 I4 N Pt - Comments: 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 21(4) (2019) 616 Space group: P -1 Cell volume: 1547.65 Cell parameters: 9.3533; 12.0866; 14.5096; 80.144; 75.835; 78.965; |
COD ID: 7231962 | |
CIF file | Formula: - C32 H56 Ag2 Mo8 N6 O32 - Comments: 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 21(4) (2019) 629 Space group: P -1 Cell volume: 1412.7 Cell parameters: 9.5969; 10.9992; 14.5293; 87.894; 72.005; 75.7836; |
COD ID: 7231963 | |
CIF file | Formula: - C24 H36 K2 Mo8 N6 O30 - Comments: 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 21(4) (2019) 629 Space group: P -1 Cell volume: 1206.2 Cell parameters: 9.822; 10.107; 12.444; 85.67; 86.14; 78.71; |
COD ID: 7231964 | |
CIF file | Formula: - C30 H45 Mo8 N6 Na O32 - Comments: 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 21(4) (2019) 629 Space group: P -1 Cell volume: 2624.1 Cell parameters: 12.4487; 14.0216; 17.0849; 112.276; 93.2135; 105.097; |
COD ID: 7231965 | |
CIF file | Formula: - C37 H52 O5 - Comments: 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 21(13) (2019) 2154 Space group: P 1 Cell volume: 794.14 Cell parameters: 7.31144; 9.2985; 12.3778; 89.7413; 88.0129; 70.786; |
COD ID: 7231966 | |
CIF file | Formula: - C21 H32 O3 - Comments: 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 21(13) (2019) 2154 Space group: P 21 21 21 Cell volume: 1928.53 Cell parameters: 6.58547; 23.9331; 12.23603; 90; 90; 90; |
COD ID: 7231967 | |
CIF file | Formula: - C36 H48 O4 - Comments: 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 21(13) (2019) 2154 Space group: P 21 21 21 Cell volume: 2968.23 Cell parameters: 6.41117; 12.19725; 37.9575; 90; 90; 90; |
COD ID: 7231968 | |
CIF file | Formula: - C20 H27 N O2 - Comments: 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 21(13) (2019) 2154 Space group: P 21 21 21 Cell volume: 1722.69 Cell parameters: 6.98287; 13.56289; 18.1895; 90; 90; 90; |
COD ID: 7231969 | |
CIF file | Formula: - C18 H25 O2.5 - Comments: 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 21(13) (2019) 2154 Space group: P 2 21 21 Cell volume: 1518.23 Cell parameters: 6.54127; 12.05549; 19.2527; 90; 90; 90; |
COD ID: 7231971 | |
CIF file | Formula: - C48 H26 Co Mo24 N4 O89 P2 Zn8 - Comments: 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 21(4) (2019) 765 Space group: F m m m Cell volume: 18570 Cell parameters: 17.386; 23.565; 45.325; 90; 90; 90; |
COD ID: 7231972 | |
CIF file | Formula: - C2 H2 N8 O4 - Comments: 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 21(4) (2019) 765 Space group: P b c a Cell volume: 701.1 Cell parameters: 9.4039; 7.8696; 9.4732; 90; 90; 90; |
COD ID: 7231973 | |
CIF file | Formula: - C2 H6 N8 Na2 O7 - Comments: 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 21(4) (2019) 765 Space group: C 1 2 1 Cell volume: 520.4 Cell parameters: 8.8499; 12.469; 6.0807; 90; 129.15; 90; |
COD ID: 7231974 | |
CIF file | Formula: - C2 H8 Li2 N8 O8 - Comments: 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 21(4) (2019) 765 Space group: C 1 2/c 1 Cell volume: 1021.8 Cell parameters: 6.1408; 14.773; 11.457; 90; 100.56; 90; |
COD ID: 7231975 | |
CIF file | Formula: - C2 N8 O4 Rb2 - Comments: 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 21(4) (2019) 765 Space group: C 1 2/c 1 Cell volume: 891.2 Cell parameters: 9.1059; 11.496; 9.1102; 90; 110.86; 90; |
COD ID: 7231976 | |
CIF file | Formula: - C2 H2 K2 N8 O5 - Comments: 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 21(4) (2019) 765 Space group: P n n a Cell volume: 925.6 Cell parameters: 24.506; 8.0284; 4.7044; 90; 90; 90; |
COD ID: 7231977 | |
CIF file | Formula: - C2 Cs2 N8 O4 - Comments: 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 21(4) (2019) 765 Space group: P -1 Cell volume: 240.09 Cell parameters: 5.3925; 7.3559; 7.4275; 61.64; 87.56; 69.5; |
COD ID: 7231978 | |
CIF file | Formula: - C48 H24 Mo24 N4 Ni O88 P2 Zn8 - Comments: 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 21(4) (2019) 765 Space group: F m m m Cell volume: 18517 Cell parameters: 17.352; 23.578; 45.26; 90; 90; 90; |
COD ID: 7231979 | |
CIF file | Formula: - C44 H40 N6 O9 Pb2 - Comments: Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine CrystEngComm 21(8) (2019) 1231 Space group: P 1 21/n 1 Cell volume: 2165.9 Cell parameters: 11.7153; 7.8003; 23.8533; 90; 96.471; 90; |
COD ID: 7231980 | |
CIF file | Formula: - C60 H58 N10 O10 Zn2 - Comments: Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine CrystEngComm 21(8) (2019) 1231 Space group: C 1 2 1 Cell volume: 5538.2 Cell parameters: 19.4892; 16.7208; 19.5898; 90; 119.827; 90; |
COD ID: 7231981 | |
CIF file | Formula: - C28 H25 N5 O5 Zn - Comments: Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine CrystEngComm 21(8) (2019) 1231 Space group: P 1 21/n 1 Cell volume: 2618.78 Cell parameters: 10.1766; 18.0574; 15.0263; 90; 108.487; 90; |
COD ID: 7231982 | |
CIF file | Formula: - C56 H50 Cd2 N10 O10 - Comments: Zhang, Xiutang; Chen, Hongtai; Li, Bin; Liu, Guangzeng; Liu, Xinzheng Construction of functional coordination polymers derived from designed flexible bis(4-carboxybenzyl)amine CrystEngComm 21(8) (2019) 1231 Space group: P 1 21/c 1 Cell volume: 5422 Cell parameters: 22.0684; 17.0982; 14.8533; 90; 104.666; 90; |
COD ID: 7231983 | |
CIF file | Formula: - C16 H80 Ge2 O120 W20 Zr4 - Comments: 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 21(5) (2019) 876 Space group: P 1 21/c 1 Cell volume: 5743 Cell parameters: 21.6439; 12.7102; 22.4458; 90; 111.555; 90; |
COD ID: 7231984 | |
CIF file | Formula: - C4 H72 Ge2 K2 O112 W20 Zr4 - Comments: 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 21(5) (2019) 876 Space group: P 1 21 1 Cell volume: 5751.7 Cell parameters: 21.3684; 12.7595; 22.3975; 90; 109.631; 90; |
COD ID: 7231986 | |
CIF file | Formula: - C34 H30 Co N4 O8 - Comments: 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 21(4) (2019) 749 Space group: P 21 21 2 Cell volume: 1532.8 Cell parameters: 15.397; 15.921; 6.253; 90; 90; 90; |
COD ID: 7231987 | |
CIF file | Formula: - C22 H26 Co N4 O5 - Comments: 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 21(4) (2019) 749 Space group: P 1 21/n 1 Cell volume: 2228.4 Cell parameters: 8.0284; 25.322; 11.209; 90; 102.068; 90; |
COD ID: 7231988 | |
CIF file | Formula: - C48 H46 Co3 N6 O14 - Comments: 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 21(4) (2019) 749 Space group: P 1 21/c 1 Cell volume: 2573 Cell parameters: 14.6544; 9.5892; 18.448; 90; 97.01; 90; |
COD ID: 7231989 | |
CIF file | Formula: - C24 H19 Co1.5 N O7 - Comments: 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 21(5) (2019) 827 Space group: P 1 21/n 1 Cell volume: 3181.8 Cell parameters: 11.0222; 15.1754; 19.331; 90; 100.256; 90; |
COD ID: 7231990 | |
CIF file | Formula: - C63 H73 Co3 N7 O19 - Comments: 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 21(5) (2019) 827 Space group: P 1 n 1 Cell volume: 3328 Cell parameters: 13.1391; 13.3582; 19.7524; 90; 106.272; 90; |
COD ID: 7231991 | |
CIF file | Formula: - C42 H24 Co4 O13 - Comments: 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 21(5) (2019) 827 Space group: P n n m Cell volume: 9840.6 Cell parameters: 17.1291; 21.8862; 26.2493; 90; 90; 90; |
COD ID: 7232009 | |
CIF file | Formula: - C8 H12 Br6 N Sb - Comments: 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 21(5) (2019) 850 Space group: P 1 21/n 1 Cell volume: 1669.65 Cell parameters: 7.3687; 16.4706; 13.862; 90; 97.054; 90; |
COD ID: 7232010 | |
CIF file | Formula: - C16 H24 Br9 N2 Sb - Comments: 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 21(5) (2019) 850 Space group: P 1 21/n 1 Cell volume: 1402.39 Cell parameters: 8.4645; 13.0802; 13.1574; 90; 105.702; 90; |
COD ID: 7232011 | |
CIF file | Formula: - C9 H14 Br6 N Sb - Comments: 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 21(5) (2019) 850 Space group: P 21 21 21 Cell volume: 1759.97 Cell parameters: 7.4277; 14.1293; 16.7699; 90; 90; 90; |
COD ID: 7232012 | |
CIF file | Formula: - C9 H14 Br6 N Sb - Comments: 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 21(5) (2019) 850 Space group: P 1 21/c 1 Cell volume: 1799.27 Cell parameters: 9.947; 11.5017; 16.4632; 90; 107.201; 90; |
COD ID: 7232013 | |
CIF file | Formula: - C14 H20 Br9 N2 Sb - Comments: 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 21(5) (2019) 850 Space group: P -1 Cell volume: 647.61 Cell parameters: 7.2611; 9.0862; 11.1895; 67.617; 87.457; 72.163; |
COD ID: 7232014 | |
CIF file | Formula: - C24 H22 Br11 N2 Sb - Comments: 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 21(5) (2019) 850 Space group: P 1 21/c 1 Cell volume: 1732.79 Cell parameters: 8.6483; 15.1885; 13.352; 90; 98.887; 90; |
COD ID: 7232015 | |
CIF file | Formula: - C10 H10 Br11 N2 Sb - Comments: 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 21(5) (2019) 850 Space group: P 1 21/c 1 Cell volume: 2496 Cell parameters: 7.3255; 20.6666; 16.5665; 90; 95.627; 90; |
COD ID: 7232016 | |
CIF file | Formula: - C16 H24 Br9 N2 Sb - Comments: 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 21(5) (2019) 850 Space group: P -1 Cell volume: 697.2 Cell parameters: 7.2472; 9.4088; 11.5541; 69.263; 81.162; 71.303; |
COD ID: 7232017 | |
CIF file | Formula: - C26 H28 Br9 N2 Sb - Comments: 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 21(5) (2019) 850 Space group: P -1 Cell volume: 851.62 Cell parameters: 8.9834; 10.2599; 10.3601; 94.223; 102.737; 111.846; |
COD ID: 7232018 | |
CIF file | Formula: - C10 H10 Br9 I2 N2 Sb - Comments: 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 21(5) (2019) 850 Space group: P 1 21/n 1 Cell volume: 1284.3 Cell parameters: 8.18; 12.9394; 12.5865; 90; 105.412; 90; |
COD ID: 7232019 | |
CIF file | Formula: - C12 H14 Br11 N2 Sb - Comments: 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 21(5) (2019) 850 Space group: I 1 m 1 Cell volume: 1365.1 Cell parameters: 8.4041; 13.3407; 12.2371; 90; 95.731; 90; |
COD ID: 7232020 | |
CIF file | Formula: - C108 H72 Co6 N18 O30 - Comments: 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 21(10) (2019) 1564 Space group: F d d 2 Cell volume: 66267.8 Cell parameters: 39.377; 43.654; 38.551; 90; 90; 90; |
COD ID: 7232027 | |
CIF file | Formula: - C13 H12 Br N O3 - Comments: 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 21(4) (2019) 589 Space group: P 1 21/n 1 Cell volume: 1272.34 Cell parameters: 11.557; 4.03422; 27.4354; 90; 95.906; 90; |
COD ID: 7232030 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 1191.3 Cell parameters: 7.9313; 13.313; 11.6544; 90; 104.509; 90; |
COD ID: 7232031 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 1165.1 Cell parameters: 7.7929; 13.2989; 11.5902; 90; 104.082; 90; |
COD ID: 7232032 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 1125.77 Cell parameters: 7.592; 13.2615; 11.4988; 90; 103.49; 90; |
COD ID: 7232033 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 1105.9 Cell parameters: 7.4909; 13.2386; 11.4562; 90; 103.241; 90; |
COD ID: 7232034 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 1176.1 Cell parameters: 7.8517; 13.3034; 11.6174; 90; 104.251; 90; |
COD ID: 7232035 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 1146.3 Cell parameters: 7.6938; 13.2818; 11.5506; 90; 103.783; 90; |
COD ID: 7232036 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 1047.8 Cell parameters: 7.2068; 13.153; 11.3365; 90; 102.812; 90; |
COD ID: 7232037 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 1089.74 Cell parameters: 7.4126; 13.2122; 11.4253; 90; 103.122; 90; |
COD ID: 7232038 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 1002.1 Cell parameters: 6.9954; 13.0631; 11.2417; 90; 102.703; 90; |
COD ID: 7232039 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 1177.07 Cell parameters: 7.8566; 13.3005; 11.6219; 90; 104.253; 90; |
COD ID: 7232040 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 965.54 Cell parameters: 6.8305; 12.9782; 11.1656; 90; 102.712; 90; |
COD ID: 7232041 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 934.27 Cell parameters: 6.6919; 12.9085; 11.0915; 90; 102.807; 90; |
COD ID: 7232042 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 983 Cell parameters: 6.9097; 13.022; 11.1993; 90; 102.719; 90; |
COD ID: 7232043 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 916.7 Cell parameters: 6.6153; 12.8677; 11.0478; 90; 102.898; 90; |
COD ID: 7232044 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 1216.8 Cell parameters: 8.011; 13.395; 11.726; 90; 104.759; 90; |
COD ID: 7232045 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 1161.7 Cell parameters: 7.765; 13.283; 11.615; 90; 104.14; 90; |
COD ID: 7232046 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 1153.2 Cell parameters: 7.713; 13.271; 11.611; 90; 104.004; 90; |
COD ID: 7232047 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 1142.2 Cell parameters: 7.651; 13.243; 11.624; 90; 104.118; 90; |
COD ID: 7232048 | |
CIF file | Formula: - C12 H9 N3 O2 S - Comments: Funnell, Nicholas P.; Bull, Craig L.; Ridley, Christopher J.; Capelli, Silvia Structural behaviour of OP-ROY at extreme conditions CrystEngComm 21(30) (2019) 4473 Space group: P 1 21/n 1 Cell volume: 1145.7 Cell parameters: 7.67; 13.254; 11.618; 90; 104.066; 90; |
COD ID: 7232049 | |
CIF file | Formula: - C86 H84 N6 O18 Sm2 - Comments: 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 21(6) (2019) 964 Space group: P -1 Cell volume: 2040.5 Cell parameters: 11.4105; 13.539; 15.3325; 88.783; 68.821; 68.65; |
COD ID: 7232050 | |
CIF file | Formula: - C86 H84 Gd2 N6 O18 - Comments: 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 21(6) (2019) 964 Space group: P -1 Cell volume: 2035.5 Cell parameters: 11.3766; 13.5678; 15.2994; 89.045; 68.623; 69.011; |
COD ID: 7232051 | |
CIF file | Formula: - C86 H84 Eu2 N6 O18 - Comments: 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 21(6) (2019) 964 Space group: P -1 Cell volume: 2036.2 Cell parameters: 11.4004; 13.5367; 15.3073; 88.899; 68.79; 68.798; |
COD ID: 7232052 | |
CIF file | Formula: - C6 H6 N2 O - Comments: Vicatos, Alexios I.; Caira, Mino R. A new polymorph of the common coformer isonicotinamide CrystEngComm 21(5) (2019) 843 Space group: P c a 21 Cell volume: 1198.3 Cell parameters: 9.888; 7.9929; 15.162; 90; 90; 90; |
COD ID: 7232053 | |
CIF file | Formula: - C18 H18 N6 O6 - Comments: Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC. Substituent effects in solid-state assembly of activated benzotriazoles CrystEngComm 21(5) (2019) 835 Space group: P 1 21/n 1 Cell volume: 903 Cell parameters: 8.595; 4.645; 22.624; 90; 91.293; 90; |
COD ID: 7232054 | |
CIF file | Formula: - C8 H9 N3 O2 - Comments: Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC. Substituent effects in solid-state assembly of activated benzotriazoles CrystEngComm 21(5) (2019) 835 Space group: C 1 2/c 1 Cell volume: 1658.4 Cell parameters: 13.5266; 10.2411; 13.4172; 90; 116.838; 90; |
COD ID: 7232055 | |
CIF file | Formula: - C16 H14 N6 O6 - Comments: Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC. Substituent effects in solid-state assembly of activated benzotriazoles CrystEngComm 21(5) (2019) 835 Space group: P -1 Cell volume: 400.09 Cell parameters: 6.018; 7.393; 9.3115; 77.213; 82.358; 86.071; |
COD ID: 7232056 | |
CIF file | Formula: - C16 H14 N6 O2 - Comments: Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC. Substituent effects in solid-state assembly of activated benzotriazoles CrystEngComm 21(5) (2019) 835 Space group: P 1 21/c 1 Cell volume: 763.49 Cell parameters: 9.3151; 4.9197; 16.7332; 90; 95.356; 90; |
COD ID: 7232057 | |
CIF file | Formula: - C10 H10 Cl N3 O3 - Comments: Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC. Substituent effects in solid-state assembly of activated benzotriazoles CrystEngComm 21(5) (2019) 835 Space group: P 21 21 21 Cell volume: 1124 Cell parameters: 4.669; 8.554; 28.15; 90; 90; 90; |
COD ID: 7232058 | |
CIF file | Formula: - C10 H11 N3 O4 - Comments: Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC. Substituent effects in solid-state assembly of activated benzotriazoles CrystEngComm 21(5) (2019) 835 Space group: P 1 21/c 1 Cell volume: 1038.5 Cell parameters: 13.073; 4.901; 16.934; 90; 106.837; 90; |
COD ID: 7232059 | |
CIF file | Formula: - C10 H11 N3 O3 - Comments: Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC. Substituent effects in solid-state assembly of activated benzotriazoles CrystEngComm 21(5) (2019) 835 Space group: P n m a Cell volume: 1022.5 Cell parameters: 9.9817; 6.6498; 15.4052; 90; 90; 90; |
COD ID: 7232060 | |
CIF file | Formula: - C6 H2 N14 O2 - Comments: Liu, Yang; Shen, Cheng; Lu, Ming Boosting the performance of energetic materials through thermally-induced conformational transition CrystEngComm 21(5) (2019) 796 Space group: P 1 21/c 1 Cell volume: 561.6 Cell parameters: 6.1954; 9.278; 9.776; 90; 91.993; 90; |
COD ID: 7232061 | |
CIF file | Formula: - C6 H2 N14 O2 - Comments: Liu, Yang; Shen, Cheng; Lu, Ming Boosting the performance of energetic materials through thermally-induced conformational transition CrystEngComm 21(5) (2019) 796 Space group: P 1 21/c 1 Cell volume: 1120.8 Cell parameters: 5.7955; 9.7961; 19.767; 90; 92.904; 90; |
COD ID: 7232062 | |
CIF file | Formula: - C62 H54 F18 N16 Ni4 O26 S6 - Comments: 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 21(5) (2019) 917 Space group: P -1 Cell volume: 4183.6 Cell parameters: 12.452; 13.7523; 25.1444; 91.559; 95.731; 102.126; |
COD ID: 7232063 | |
CIF file | Formula: - C112 H118 Cl12 N32 Ni8 O69 - Comments: 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 21(5) (2019) 917 Space group: P -1 Cell volume: 7630.6 Cell parameters: 12.3939; 26.0105; 26.2478; 112.794; 95.4248; 97.6923; |
COD ID: 7232064 | |
CIF file | Formula: - C56 H74 N22 Ni4 O36 - Comments: 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 21(5) (2019) 917 Space group: P -1 Cell volume: 3920.7 Cell parameters: 14.587; 14.7541; 18.4452; 95.571; 97.055; 90.12; |
COD ID: 7232065 | |
CIF file | Formula: - C120 H134 Cl10 N32 Ni8 O62 - Comments: 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 21(5) (2019) 917 Space group: P -1 Cell volume: 7939.8 Cell parameters: 12.4085; 23.2955; 28.0056; 86.006; 81.19; 83.687; |
COD ID: 7232066 | |
CIF file | Formula: - C56 H74 N22 Ni4 O36 - Comments: 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 21(5) (2019) 917 Space group: P -1 Cell volume: 3920.7 Cell parameters: 14.587; 14.7541; 18.4452; 95.571; 97.055; 90.12; |
COD ID: 7232067 | |
CIF file | Formula: - C24 H214 Al4 Cu6 Mo24 N24 O143 - Comments: 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 21(7) (2019) 1168 Space group: C 1 2/c 1 Cell volume: 8326.2 Cell parameters: 27.5506; 13.4067; 22.7853; 90; 98.378; 90; |
COD ID: 7232068 | |
CIF file | Formula: - C12 H34 Cr Cu Mo6 N12 O31 - Comments: 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 21(7) (2019) 1168 Space group: P 1 21/n 1 Cell volume: 4207.8 Cell parameters: 8.2068; 21.0385; 24.5141; 90; 96.205; 90; |
COD ID: 7232069 | |
CIF file | Formula: - C7 H20 Cr Cu2 K Mo6 N6 O26 - Comments: 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 21(7) (2019) 1168 Space group: P 1 2/c 1 Cell volume: 1417.95 Cell parameters: 11.5188; 5.9468; 21.01; 90; 99.854; 90; |
COD ID: 7232070 | |
CIF file | Formula: - C12 H107 Cr2 Cu3 Mo12 N12 O71.5 - Comments: 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 21(7) (2019) 1168 Space group: C 1 2/c 1 Cell volume: 8429.8 Cell parameters: 27.6717; 13.4767; 22.8522; 90; 98.44; 90; |
COD ID: 7232071 | |
CIF file | Formula: - C14 H98 Cd3 Cr3 Mo18 N12 O102 - Comments: 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 21(7) (2019) 1168 Space group: P 1 21/n 1 Cell volume: 5238.3 Cell parameters: 16.1041; 11.6957; 27.93; 90; 95.28; 90; |
COD ID: 7232072 | |
CIF file | Formula: - C6 H31 Al Cu2.5 Mo6 N6 O27 - Comments: 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 21(7) (2019) 1168 Space group: P -1 Cell volume: 883.1 Cell parameters: 6.4672; 10.482; 13.154; 87.291; 85.271; 84.015; |
COD ID: 7232073 | |
CIF file | Formula: - C14 H52 Cr2 Cu3 Mo12 N12 O58 - Comments: 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 21(7) (2019) 1168 Space group: P -1 Cell volume: 1583.48 Cell parameters: 6.4711; 15.2046; 16.6977; 96.961; 99.683; 98.53; |
COD ID: 7232074 | |
CIF file | Formula: - C14 H11 Cd N O6 - Comments: 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 21(6) (2019) 1001 Space group: P -1 Cell volume: 835.39 Cell parameters: 7.5577; 9.998; 12.26; 75.432; 79.59; 69.491; |
COD ID: 7232075 | |
CIF file | Formula: - C19 H15 Cd N2 O7 - Comments: 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 21(6) (2019) 1001 Space group: P -1 Cell volume: 924.6 Cell parameters: 8.1208; 10.241; 12.376; 106.79; 99.48; 104.1; |
COD ID: 7232076 | |
CIF file | Formula: - C18 H16 Cd N O9 - Comments: 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 21(6) (2019) 1001 Space group: P -1 Cell volume: 928.96 Cell parameters: 7.6825; 10.0737; 13.2714; 70.544; 89.008; 74.231; |
COD ID: 7232077 | |
CIF file | Formula: - C15 H14 F2 N6 O5 - Comments: 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 21(7) (2019) 1114 Space group: P 1 21/c 1 Cell volume: 1733.1 Cell parameters: 5.6109; 14.914; 20.848; 90; 96.566; 90; |
COD ID: 7232078 | |
CIF file | Formula: - C48 H38 Cd3 N6 O17 - Comments: 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 21(7) (2019) 1159 Space group: P 1 21/c 1 Cell volume: 4515.6 Cell parameters: 17.96; 12.903; 24.414; 90; 127.047; 90; |
COD ID: 7232079 | |
CIF file | Formula: - C6 H9 N4 O8 P - Comments: Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B. Multicomponent crystals of nitrofurazone ‒ when more is less CrystEngComm 21(7) (2019) 1091 Space group: P -1 Cell volume: 582.3 Cell parameters: 4.4913; 10.893; 12.672; 106.87; 99.66; 92.3; |
COD ID: 7232080 | |
CIF file | Formula: - C6 H6 N4 O4 - Comments: Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B. Multicomponent crystals of nitrofurazone ‒ when more is less CrystEngComm 21(7) (2019) 1091 Space group: P 1 21 1 Cell volume: 415.96 Cell parameters: 4.2098; 6.9632; 14.2021; 90; 92.36; 90; |
COD ID: 7232081 | |
CIF file | Formula: - C24 H27 Cl N16 O21 - Comments: Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B. Multicomponent crystals of nitrofurazone ‒ when more is less CrystEngComm 21(7) (2019) 1091 Space group: P -1 Cell volume: 1820.2 Cell parameters: 7.9863; 14.566; 16.208; 77.88; 80.9; 87.87; |
COD ID: 7232082 | |
CIF file | Formula: - C6 H6 N4 O4 - Comments: Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B. Multicomponent crystals of nitrofurazone ‒ when more is less CrystEngComm 21(7) (2019) 1091 Space group: P 1 21/c 1 Cell volume: 804.86 Cell parameters: 13.4449; 7.8221; 7.8587; 90; 103.134; 90; |
COD ID: 7232083 | |
CIF file | Formula: - C9 H12 N4 O6 - Comments: Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B. Multicomponent crystals of nitrofurazone ‒ when more is less CrystEngComm 21(7) (2019) 1091 Space group: P 1 21/c 1 Cell volume: 5000.8 Cell parameters: 15.801; 12.931; 24.475; 90; 90.04; 90; |
COD ID: 7232084 | |
CIF file | Formula: - C4 H14 N20 O11 Pb2 - Comments: 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 21(6) (2019) 937 Space group: P -1 Cell volume: 1037.82 Cell parameters: 6.5991; 10.8137; 15.2509; 84.753; 81.706; 74.843; |
COD ID: 7232085 | |
CIF file | Formula: - C2 H6 N10 O6 Pb2 - Comments: 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 21(6) (2019) 937 Space group: P c c n Cell volume: 1161.3 Cell parameters: 11.4741; 17.026; 5.9443; 90; 90; 90; |
COD ID: 7232086 | |
CIF file | Formula: - C15 H14 O2 - Comments: 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 21(6) (2019) 1009 Space group: P n m a Cell volume: 1157.68 Cell parameters: 14.073; 6.8273; 12.0491; 90; 90; 90; |
COD ID: 7232087 | |
CIF file | Formula: - C16 H18 O2 - Comments: 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 21(6) (2019) 1009 Space group: P 1 21/c 1 Cell volume: 2599.63 Cell parameters: 12.4248; 22.9673; 9.8566; 90; 112.446; 90; |
COD ID: 7232088 | |
CIF file | Formula: - C22 H25.1 N3 O2.05 - Comments: 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 21(6) (2019) 1009 Space group: P -1 Cell volume: 1930.4 Cell parameters: 8.2578; 10.5748; 23.1819; 99.596; 91.72; 104.122; |
COD ID: 7232089 | |
CIF file | Formula: - C17 H12 O2 - Comments: 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 21(6) (2019) 1009 Space group: I b a 2 Cell volume: 2465.88 Cell parameters: 17.3065; 17.6303; 8.0817; 90; 90; 90; |
COD ID: 7232090 | |
CIF file | Formula: - C12 H10 O2 - Comments: 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 21(6) (2019) 1009 Space group: P 21 21 21 Cell volume: 1907.57 Cell parameters: 9.9122; 13.8433; 13.9018; 90; 90; 90; |
COD ID: 7232091 | |
CIF file | Formula: - C17 H23 N3 O2 - Comments: 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 21(6) (2019) 1009 Space group: P -1 Cell volume: 3202.1 Cell parameters: 15.1117; 15.6707; 16.4672; 80.552; 69.591; 61.179; |
COD ID: 7232092 | |
CIF file | Formula: - C19 H20 N2 O2 - Comments: 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 21(6) (2019) 1009 Space group: C 1 2/c 1 Cell volume: 3315.4 Cell parameters: 27.588; 8.2227; 19.874; 90; 132.66; 90; |
COD ID: 7232093 | |
CIF file | Formula: - C23 H28 N2 O2 - Comments: 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 21(6) (2019) 1009 Space group: P 1 21/c 1 Cell volume: 1995.8 Cell parameters: 10.1265; 25.804; 7.9261; 90; 105.497; 90; |
COD ID: 7232094 | |
CIF file | Formula: - C16 H13 N O3 - Comments: 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 21(6) (2019) 1009 Space group: P 1 21/c 1 Cell volume: 1326.89 Cell parameters: 10.8607; 8.0882; 15.3629; 90; 100.51; 90; |
COD ID: 7232095 | |
CIF file | Formula: - C14 H8 N2 O - Comments: 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 21(6) (2019) 1009 Space group: P 1 21/c 1 Cell volume: 1120.65 Cell parameters: 9.9169; 7.4879; 15.8768; 90; 108.096; 90; |
COD ID: 7232096 | |
CIF file | Formula: - C22 H26 N2 O2 - Comments: 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 21(6) (2019) 1009 Space group: P 1 21/c 1 Cell volume: 1953.7 Cell parameters: 8.4313; 26.5593; 9.5945; 90; 114.586; 90; |
COD ID: 7232097 | |
CIF file | Formula: - C17 H14 O5 - Comments: 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 21(6) (2019) 1009 Space group: P 1 21/c 1 Cell volume: 1375.49 Cell parameters: 7.3963; 14.2452; 13.5274; 90; 105.187; 90; |
COD ID: 7232098 | |
CIF file | Formula: - C23 H18 O3 - Comments: 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 21(6) (2019) 1009 Space group: P -1 Cell volume: 852.7 Cell parameters: 6.9441; 8.8146; 14.8418; 77.773; 78.744; 76.371; |
COD ID: 7232099 | |
CIF file | Formula: - C17 H14 O3 - Comments: 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 21(6) (2019) 1009 Space group: P 1 21/c 1 Cell volume: 2656.17 Cell parameters: 13.4588; 9.4421; 20.9855; 90; 95.122; 90; |
COD ID: 7232100 | |
CIF file | Formula: - C34 H34 Br2 O4 - Comments: Kennedy, Stuart R.; Main, Mawgan U.; Pulham, Colin R.; Ling, Irene; Dalgarno, Scott J. A self-assembled nanotube supported by halogen bonding interactions CrystEngComm 21(5) (2019) 786 Space group: R -3 :H Cell volume: 13569.8 Cell parameters: 37.3853; 37.3853; 11.2109; 90; 90; 120; |
COD ID: 7232101 | |
CIF file | Formula: - C39 H43 Cl2 N4 O6 - Comments: 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 21(10) (2019) 1548 Space group: P -1 Cell volume: 1775.5 Cell parameters: 10.007; 13.2653; 15.0577; 80.234; 71.193; 70.137; |
COD ID: 7232102 | |
CIF file | Formula: - C37.5 H40 Cl2 N4 O6 - Comments: 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 21(10) (2019) 1548 Space group: P -1 Cell volume: 1733.59 Cell parameters: 9.9312; 13.0381; 14.9669; 78.504; 71.545; 71.592; |
COD ID: 7232103 | |
CIF file | Formula: - C34 H34 Cl2 N4 O6 - Comments: 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 21(10) (2019) 1548 Space group: C 1 2/c 1 Cell volume: 3110.6 Cell parameters: 19.602; 10.4596; 15.8952; 90; 107.358; 90; |
COD ID: 7232104 | |
CIF file | Formula: - C38 H42 Cl2 N4 O6 - Comments: 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 21(10) (2019) 1548 Space group: P -1 Cell volume: 1754.7 Cell parameters: 9.9249; 13.0873; 15.1023; 78.486; 71.671; 71.466; |
COD ID: 7232105 | |
CIF file | Formula: - C38 H41 Cl2 N4 O6 - Comments: 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 21(10) (2019) 1548 Space group: P -1 Cell volume: 1741.8 Cell parameters: 9.9494; 13.0577; 15.047; 78.907; 71.437; 70.82; |
COD ID: 7232106 | |
CIF file | Formula: - C38 H42 Cl2 N4 O6 - Comments: 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 21(10) (2019) 1548 Space group: P -1 Cell volume: 1744.6 Cell parameters: 9.9163; 13.1401; 14.9925; 78.987; 71.536; 71.106; |
COD ID: 7232107 | |
CIF file | Formula: - C37.5 H41 Cl2 N4 O6 - Comments: 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 21(10) (2019) 1548 Space group: P -1 Cell volume: 1736.34 Cell parameters: 9.9369; 13.0256; 14.9773; 78.67; 71.719; 71.595; |
COD ID: 7232108 | |
CIF file | Formula: - C7 H3 Cl2 N O - Comments: 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 21(5) (2019) 908 Space group: P 1 21/c 1 Cell volume: 757.84 Cell parameters: 3.9611; 13.3377; 14.48; 90; 97.848; 90; |
COD ID: 7232109 | |
CIF file | Formula: - C7 H4 Br N O - Comments: 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 21(5) (2019) 908 Space group: C 1 2/c 1 Cell volume: 1359.8 Cell parameters: 25.671; 3.903; 14.123; 90; 106.068; 90; |
COD ID: 7232110 | |
CIF file | Formula: - C7 H3 Cl2 N O - Comments: 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 21(5) (2019) 908 Space group: P 1 21/c 1 Cell volume: 744.9 Cell parameters: 3.7857; 12.616; 15.632; 90; 93.847; 90; |
COD ID: 7232111 | |
CIF file | Formula: - C3.5 H2 Cl0.5 N0.5 O0.5 - Comments: 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 21(5) (2019) 908 Space group: P 1 21/m 1 Cell volume: 329.64 Cell parameters: 4.5995; 7.7964; 9.3711; 90; 101.201; 90; |
COD ID: 7232112 | |
CIF file | Formula: - C18 H15 N2 - Comments: 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 21(6) (2019) 981 Space group: P -1 Cell volume: 720.29 Cell parameters: 6.9929; 9.6745; 10.9094; 97.057; 97.633; 96.111; |
COD ID: 7232113 | |
CIF file | Formula: - C30 H30 N2 O4 - Comments: 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 21(6) (2019) 981 Space group: P -1 Cell volume: 1272.6 Cell parameters: 6.9689; 10.7206; 18.531; 97.772; 100.438; 107.389; |
COD ID: 7232114 | |
CIF file | Formula: - C34 H28 N4 - Comments: 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 21(6) (2019) 981 Space group: I 1 2/m 1 Cell volume: 1353.61 Cell parameters: 15.3925; 6.8374; 12.8802; 90; 93.087; 90; |
COD ID: 7232115 | |
CIF file | Formula: - C9 H13 La O9.5 - Comments: 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 21(7) (2019) 1137 Space group: P -1 Cell volume: 663.5 Cell parameters: 7.9686; 8.6786; 11.2515; 95.505; 106.522; 113.65; |
COD ID: 7232116 | |
CIF file | Formula: - C64 H46 I6 N4 O4 Sn - Comments: 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 21(7) (2019) 1150 Space group: P -1 Cell volume: 1542.37 Cell parameters: 9.5953; 10.9758; 15.4396; 101.8; 102.572; 93.998; |
COD ID: 7232117 | |
CIF file | Formula: - C60 H34 Cl6 I4 N6 O8 Sn - Comments: 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 21(7) (2019) 1150 Space group: P -1 Cell volume: 1536.72 Cell parameters: 11.6409; 12.3154; 13.1057; 98.307; 104.865; 117.3; |
COD ID: 7232118 | |
CIF file | Formula: - C66 H52 I4 N6 O10 Sn - Comments: 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 21(7) (2019) 1150 Space group: P -1 Cell volume: 1575.58 Cell parameters: 11.2861; 11.7958; 13.3288; 103.991; 95.327; 111; |
COD ID: 7232119 | |
CIF file | Formula: - C58 H32 I6 N4 O4 Sn - Comments: 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 21(7) (2019) 1150 Space group: P -1 Cell volume: 1403.09 Cell parameters: 8.0433; 12.3567; 15.1084; 69.576; 85.741; 87.539; |
COD ID: 7232120 | |
CIF file | Formula: - C58 H30 Cl4 I4 N4 O4 Sn - Comments: 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 21(7) (2019) 1150 Space group: P -1 Cell volume: 1361.35 Cell parameters: 8.8373; 10.7391; 14.9694; 98.367; 101.545; 96.724; |
COD ID: 7232121 | |
CIF file | Formula: - C58 H30 Br4 I4 N4 O4 Sn - Comments: 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 21(7) (2019) 1150 Space group: P -1 Cell volume: 1361.15 Cell parameters: 8.8374; 10.7088; 15.0404; 98.727; 101.652; 96.887; |
COD ID: 7232122 | |
CIF file | Formula: - C64 H46 Br2 I4 N4 O4 Sn - Comments: 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 21(7) (2019) 1150 Space group: P -1 Cell volume: 1500.84 Cell parameters: 9.64; 10.8143; 15.1088; 100.646; 102.72; 93.71; |
COD ID: 7232123 | |
CIF file | Formula: - C60 H36 F4 I4 N4 O5 S Sn - Comments: 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 21(7) (2019) 1150 Space group: P 1 21/c 1 Cell volume: 2903.32 Cell parameters: 14.2058; 17.3651; 11.8806; 90; 97.847; 90; |
COD ID: 7232124 | |
CIF file | Formula: - C18 H13 I N - Comments: Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H. Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene CrystEngComm 21(6) (2019) 990 Space group: I 1 2/a 1 Cell volume: 3106.9 Cell parameters: 17.008; 10.0083; 19.248; 90; 108.513; 90; |
COD ID: 7232125 | |
CIF file | Formula: - C22 H12 I2 N2 - Comments: Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H. Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene CrystEngComm 21(6) (2019) 990 Space group: P -1 Cell volume: 1050.2 Cell parameters: 7.5641; 8.3619; 17.5; 94.126; 96.466; 106.153; |
COD ID: 7232126 | |
CIF file | Formula: - C22 H14 I2 N2 - Comments: Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H. Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene CrystEngComm 21(6) (2019) 990 Space group: C 1 2/c 1 Cell volume: 2068.4 Cell parameters: 12.8031; 9.5117; 17.856; 90; 107.973; 90; |
COD ID: 7232127 | |
CIF file | Formula: - O5 P Rb0.94 Ta0.06 Ti0.94 - Comments: 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 21(10) (2019) 1570 Space group: P n a 21 Cell volume: 890.3 Cell parameters: 12.9604; 6.4988; 10.5705; 90; 90; 90; |
COD ID: 7232128 | |
CIF file | Formula: - O5 P Rb0.9 Ta0.1 Ti0.9 - Comments: 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 21(10) (2019) 1570 Space group: P n a 21 Cell volume: 889.2 Cell parameters: 12.9584; 6.4968; 10.5615; 90; 90; 90; |
COD ID: 7232129 | |
CIF file | Formula: - Cl4 Co H14 N4 O2 - Comments: 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 21(5) (2019) 894 Space group: P 1 21/c 1 Cell volume: 513.63 Cell parameters: 7.988; 5.7019; 11.3808; 90; 97.745; 90; |
COD ID: 7232130 | |
CIF file | Formula: - Cl16 H54 Mn3 N20 O2 - Comments: 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 21(5) (2019) 894 Space group: P -1 Cell volume: 1010.82 Cell parameters: 7.5839; 9.1752; 15.0656; 89.821; 84.447; 75.697; |
COD ID: 7232131 | |
CIF file | Formula: - Cl5 H15 Mn N6 - Comments: 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 21(5) (2019) 894 Space group: P 1 21/n 1 Cell volume: 1156.05 Cell parameters: 8.9779; 10.9705; 11.7726; 90; 94.423; 90; |
COD ID: 7232132 | |
CIF file | Formula: - Cl3 H9 Mn N2 O2 - Comments: 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 21(5) (2019) 894 Space group: P 1 21/n 1 Cell volume: 770.44 Cell parameters: 5.5411; 13.9707; 9.963; 90; 92.648; 90; |
COD ID: 7232133 | |
CIF file | Formula: - C2 H10 Cl2 Cu N2 O2 - Comments: 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 21(5) (2019) 894 Space group: P -1 Cell volume: 182.3 Cell parameters: 3.7868; 5.6827; 8.7079; 99.853; 98.563; 91.568; |
COD ID: 7232153 | |
CIF file | Formula: - C13.2 H9.8 I2 N4.6 - Comments: Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W. Organic molecular tessellations and intertwined double helices assembled by halogen bonding CrystEngComm 21(7) (2019) 1130 Space group: P c a 21 Cell volume: 5295.8 Cell parameters: 17.5338; 10.4983; 28.7697; 90; 90; 90; |
COD ID: 7232154 | |
CIF file | Formula: - C9.2 H3.8 I2 N2.6 - Comments: Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W. Organic molecular tessellations and intertwined double helices assembled by halogen bonding CrystEngComm 21(7) (2019) 1130 Space group: P -1 Cell volume: 1661.4 Cell parameters: 4.3229; 13.047; 29.586; 90.19; 91.77; 95.024; |
COD ID: 7232155 | |
CIF file | Formula: - C10 H5 I2 N3 - Comments: Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W. Organic molecular tessellations and intertwined double helices assembled by halogen bonding CrystEngComm 21(7) (2019) 1130 Space group: P -1 Cell volume: 2261.3 Cell parameters: 4.2425; 23.537; 24.567; 111.725; 94.131; 93.861; |
COD ID: 7232156 | |
CIF file | Formula: - C8 H0 I2 N2 - Comments: Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W. Organic molecular tessellations and intertwined double helices assembled by halogen bonding CrystEngComm 21(7) (2019) 1130 Space group: P 1 21/c 1 Cell volume: 4035.6 Cell parameters: 13.9441; 35.2209; 8.2173; 90; 90.331; 90; |
COD ID: 7232157 | |
CIF file | Formula: - C9 H3 Cl3 I2 N2 - Comments: Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W. Organic molecular tessellations and intertwined double helices assembled by halogen bonding CrystEngComm 21(7) (2019) 1130 Space group: P 1 21/c 1 Cell volume: 1431.8 Cell parameters: 4.338; 18.327; 18.018; 90; 91.705; 90; |
COD ID: 7232169 | |
CIF file | Formula: - C24 H91 Mo12 N12 Na O66 P8 - Comments: 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 21(6) (2019) 971 Space group: P -1 Cell volume: 1959.7 Cell parameters: 12.5982; 13.295; 13.5974; 114.779; 99.377; 100.412; |
COD ID: 7232170 | |
CIF file | Formula: - C39 H61.5 Mo12 N6 Na3.5 O66 P8 - Comments: 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 21(6) (2019) 971 Space group: C 1 2/m 1 Cell volume: 4342 Cell parameters: 27.133; 12.3372; 15.5056; 90; 123.224; 90; |
COD ID: 7232171 | |
CIF file | Formula: - C20 H68 Mn2.5 Mo12 N8 Na2 O71.5 P8 - Comments: 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 21(6) (2019) 971 Space group: P 1 n 1 Cell volume: 4181.6 Cell parameters: 14.6598; 13.3538; 22.0021; 90; 103.869; 90; |
COD ID: 7232172 | |
CIF file | Formula: - C3 H58 Mn2.5 Mo12 N5.5 Na4.5 O72.5 P8 - Comments: 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 21(6) (2019) 971 Space group: P 43 2 2 Cell volume: 6880.81 Cell parameters: 13.3983; 13.3983; 38.3301; 90; 90; 90; |
COD ID: 7232173 | |
CIF file | Formula: - C14 H80 Mn2 Mo12 N7 Na O68 P8 - Comments: 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 21(6) (2019) 971 Space group: P 1 21/c 1 Cell volume: 7765.6 Cell parameters: 16.333; 21.724; 21.913; 90; 92.836; 90; |
COD ID: 7232174 | |
CIF file | Formula: - C13 H80.5 Cu0.25 Mo12 N6.5 Na4.75 O70 P8 - Comments: 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 21(6) (2019) 971 Space group: P -1 Cell volume: 3822.5 Cell parameters: 13.262; 13.36; 22.492; 99.302; 90.283; 103.365; |
COD ID: 7232185 | |
CIF file | Formula: - Ca6.983 O28 Pb3.517 V7 - Comments: 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 21(8) (2019) 1309 Space group: R 3 c :H Cell volume: 4025.7 Cell parameters: 10.9801; 10.9801; 38.5568; 90; 90; 120; |
COD ID: 7232186 | |
CIF file | Formula: - Ca5.606 O28 Pb4.894 V7 - Comments: 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 21(8) (2019) 1309 Space group: R 3 c :H Cell volume: 4118.5 Cell parameters: 11.0594; 11.0594; 38.8813; 90; 90; 120; |
COD ID: 7232187 | |
CIF file | Formula: - Ca8.649 O28 Pb1.851 V7 - Comments: 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 21(8) (2019) 1309 Space group: R 3 c :H Cell volume: 3958.08 Cell parameters: 10.922; 10.922; 38.3133; 90; 90; 120; |
COD ID: 7232188 | |
CIF file | Formula: - C62 H2 Br2 Cl4 - Comments: 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 21(7) (2019) 1180 Space group: P 6/m m m Cell volume: 900.9 Cell parameters: 10.1313; 10.1313; 10.1351; 90; 90; 120; |
COD ID: 7232189 | |
CIF file | Formula: - C61 H Br Cl2 - Comments: 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 21(7) (2019) 1180 Space group: C 1 2/c 1 Cell volume: 3205.6 Cell parameters: 10.14; 31.233; 10.122; 90; 90.21; 90; |
COD ID: 7232190 | |
CIF file | Formula: - C56 H42 Cu2 N14 - Comments: 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 21(8) (2019) 1242 Space group: P 1 21/c 1 Cell volume: 4784.6 Cell parameters: 15.071; 17.319; 18.468; 90; 96.99; 90; |
COD ID: 7232191 | |
CIF file | Formula: - C7 H5 Cu N3 - Comments: 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 21(8) (2019) 1242 Space group: C 1 2/c 1 Cell volume: 1447.7 Cell parameters: 11.089; 8.79; 15.236; 90; 102.882; 90; |
COD ID: 7232192 | |
CIF file | Formula: - C16 H14 Cu2 N6 - Comments: 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 21(8) (2019) 1242 Space group: P 1 21/n 1 Cell volume: 1650.9 Cell parameters: 8.8138; 15.406; 12.203; 90; 94.92; 90; |
COD ID: 7232193 | |
CIF file | Formula: - C34 H42 Cu3 N16 - Comments: 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 21(8) (2019) 1242 Space group: P -1 Cell volume: 1910.17 Cell parameters: 8.0872; 10.2331; 23.4179; 88.45; 80.956; 86.568; |
COD ID: 7232194 | |
CIF file | Formula: - C16.62 H18 Cu4 N10.38 - Comments: 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 21(8) (2019) 1242 Space group: P 21 21 2 Cell volume: 2312.87 Cell parameters: 13.0156; 14.3792; 12.3581; 90; 90; 90; |
COD ID: 7232195 | |
CIF file | Formula: - C7 H7 N O2 - Comments: 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 21(13) (2019) 2058 Space group: P 1 n 1 Cell volume: 307.25 Cell parameters: 6.4341; 4.6151; 10.5313; 90; 100.73; 90; |
COD ID: 7232196 | |
CIF file | Formula: - C7 H7 N O2 - Comments: 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 21(13) (2019) 2058 Space group: P 1 n 1 Cell volume: 302 Cell parameters: 6.4003; 4.5981; 10.4452; 90; 100.748; 90; |
COD ID: 7232197 | |
CIF file | Formula: - C7 H7 N O2 - Comments: 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 21(13) (2019) 2058 Space group: P 1 n 1 Cell volume: 307.53 Cell parameters: 6.4342; 4.6146; 10.5397; 90; 100.667; 90; |
COD ID: 7232198 | |
CIF file | Formula: - C7 H7 N O2 - Comments: 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 21(13) (2019) 2058 Space group: P 1 n 1 Cell volume: 312.63 Cell parameters: 6.4551; 4.674; 10.547; 90; 100.754; 90; |
COD ID: 7232199 | |
CIF file | Formula: - C7 H7 N O2 - Comments: 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 21(13) (2019) 2058 Space group: P 1 n 1 Cell volume: 321.1 Cell parameters: 6.5086; 4.6661; 10.7596; 90; 100.685; 90; |
COD ID: 7232202 | |
CIF file | Formula: - C42 H44 Ba Cl8 Fe2 O6 S8 - Comments: 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 21(9) (2019) 1423 Space group: P -1 Cell volume: 2925.3 Cell parameters: 10.672; 10.887; 25.613; 94.871; 97.871; 94.413; |
COD ID: 7232203 | |
CIF file | Formula: - C14 H14 Fe K O S4 - Comments: 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 21(9) (2019) 1423 Space group: P 1 21/c 1 Cell volume: 1671.5 Cell parameters: 7.5364; 9.164; 24.2084; 90; 91.334; 90; |
COD ID: 7232204 | |
CIF file | Formula: - C56 H76 Cl8 Fe Ni2 O10 S8 - Comments: 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 21(9) (2019) 1423 Space group: P -1 Cell volume: 1792.14 Cell parameters: 10.9301; 13.295; 14.7803; 63.606; 76.591; 69.262; |
COD ID: 7232205 | |
CIF file | Formula: - C45 H56 Ca Cl8 Fe2 O10 S8 - Comments: 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 21(9) (2019) 1423 Space group: P -1 Cell volume: 3206.5 Cell parameters: 12.7382; 13.0035; 21.73; 86.715; 89.542; 63.187; |
COD ID: 7232206 | |
CIF file | Formula: - C48 H56 Cl8 Fe3 O10 S8 - Comments: 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 21(9) (2019) 1423 Space group: P -1 Cell volume: 1587.36 Cell parameters: 10.6545; 11.3055; 14.3597; 93.025; 111.05; 98.246; |
COD ID: 7232207 | |
CIF file | Formula: - C34 H37 Cl7 K O6 S6 Zn3 - Comments: 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 21(9) (2019) 1423 Space group: P -1 Cell volume: 2348.67 Cell parameters: 13.7557; 13.7884; 14.2273; 94.417; 112.471; 105.827; |
COD ID: 7232208 | |
CIF file | Formula: - C42 H50 Cl8 Fe2 N6 O6 S8 Zn - Comments: 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 21(9) (2019) 1423 Space group: P -1 Cell volume: 1679.9 Cell parameters: 9.968; 13.477; 14.244; 108.073; 109.857; 93.674; |
COD ID: 7232209 | |
CIF file | Formula: - C20 H19 N3 O Se - Comments: Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm 21(10) (2019) 1539 Space group: P -1 Cell volume: 857.86 Cell parameters: 8.3674; 9.8399; 10.6622; 93.296; 93.021; 101.21; |
COD ID: 7232210 | |
CIF file | Formula: - C20 H23 N3 O Se - Comments: Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm 21(10) (2019) 1539 Space group: P 1 21/c 1 Cell volume: 1771.93 Cell parameters: 10.1249; 15.9246; 11.466; 90; 106.572; 90; |
COD ID: 7232211 | |
CIF file | Formula: - C21 H24 N2 O Se - Comments: Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm 21(10) (2019) 1539 Space group: P 1 21/c 1 Cell volume: 1803.75 Cell parameters: 10.161; 16.0506; 11.43; 90; 104.622; 90; |
COD ID: 7232212 | |
CIF file | Formula: - C14 H8 N2 O Se - Comments: Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm 21(10) (2019) 1539 Space group: P c a 21 Cell volume: 1072.6 Cell parameters: 17.371; 5.308; 11.633; 90; 90; 90; |
COD ID: 7232213 | |
CIF file | Formula: - C14 H11 N O Se - Comments: Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm 21(10) (2019) 1539 Space group: P c a 21 Cell volume: 1154.48 Cell parameters: 11.7848; 4.5869; 21.3572; 90; 90; 90; |
COD ID: 7232214 | |
CIF file | Formula: - C19 H13 N3 O Se - Comments: Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm 21(10) (2019) 1539 Space group: P 1 21/c 1 Cell volume: 1728.53 Cell parameters: 20.7476; 4.9407; 17.6687; 90; 107.376; 90; |
COD ID: 7232215 | |
CIF file | Formula: - C21 H21 N3 O Se - Comments: Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm 21(10) (2019) 1539 Space group: P -1 Cell volume: 1859.33 Cell parameters: 9.6002; 10.2109; 19.838; 78.71; 84.901; 77.458; |
COD ID: 7232216 | |
CIF file | Formula: - C21 H18 N4 O Se - Comments: Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm 21(10) (2019) 1539 Space group: P -1 Cell volume: 877.57 Cell parameters: 8.8093; 10.7445; 10.9812; 111.687; 109.283; 96.631; |
COD ID: 7232217 | |
CIF file | Formula: - C21 H23 N3 O2 Se - Comments: Fellowes, Thomas; White, Jonathan M. New insights into chalcogen bonding provided by co-crystal structures of benzisoselenazolinone derivatives and nitrogen bases CrystEngComm 21(10) (2019) 1539 Space group: P -1 Cell volume: 998.19 Cell parameters: 9.6254; 10.2486; 10.6505; 83.66; 76.398; 78.423; |
COD ID: 7232225 | |
CIF file | Formula: - C6 H4 Cl2 O6 S - Comments: 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 21(9) (2019) 1499 Space group: P -1 Cell volume: 941.1 Cell parameters: 7.2451; 7.8674; 16.65; 87.647; 86.278; 83.882; |
COD ID: 7232226 | |
CIF file | Formula: - C6 H4 Cl2 O6 S - Comments: 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 21(9) (2019) 1499 Space group: P 1 21/c 1 Cell volume: 980 Cell parameters: 7.7319; 9.613; 13.2774; 90; 96.761; 90; |
COD ID: 7232227 | |
CIF file | Formula: - C6 H4 Br2 O6 S - Comments: 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 21(9) (2019) 1499 Space group: P 1 21/c 1 Cell volume: 1027.7 Cell parameters: 7.953; 9.744; 13.366; 90; 97.174; 90; |
COD ID: 7232228 | |
CIF file | Formula: - C11 H15 N3 O S - Comments: 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 21(9) (2019) 1397 Space group: C 1 2/c 1 Cell volume: 2546.47 Cell parameters: 15.0421; 11.2751; 15.5078; 90; 104.491; 90; |
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