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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