Crystallography Open Database
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COD ID  |
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Space group |
Cell parameters | Cell volume |
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|---|---|---|---|---|---|---|
| 7054978 | CIF | C20 H27 Cl Co N10 O11.5 | P 1 21/c 1 | 11.727; 24.744; 9.764 90; 98.883; 90 | 2799.3 | Safin, Damir A.; Szell, Patrick M. J.; Keller, Antonin; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee Interaction of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) with CoX2(X = Cl, Br) in water: trapping of new self-assembled water‒chloride/bromide clusters in a [Co(bpca)2]+host (bpca = bis(2-pyrimidylcarbonyl)amidate anion) New J. Chem., 2015, 39, 7147 |
| 7054979 | CIF | C20 H27 Br Co N10 O11.5 | P 1 21/c 1 | 11.7712; 24.6598; 9.8817 90; 99.559; 90 | 2828.6 | Safin, Damir A.; Szell, Patrick M. J.; Keller, Antonin; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee Interaction of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) with CoX2(X = Cl, Br) in water: trapping of new self-assembled water‒chloride/bromide clusters in a [Co(bpca)2]+host (bpca = bis(2-pyrimidylcarbonyl)amidate anion) New J. Chem., 2015, 39, 7147 |
| 7054980 | CIF | C19 H18 N4 O6 S | P 1 21/c 1 | 14.3506; 11.464; 13.8015 90; 118.252; 90 | 2000.1 | Zhu, Xin; Lin, Qi; Lou, Jin-Chao; Lu, Tao-Tao; Zhang, You-Ming; Wei, Tai-Bao Colorimetric probes designed to provide high sensitivity and single selectivity for CN−in aqueous solution New J. Chem., 2015, 39, 7206 |
| 7054984 | CIF | C56 H65 Cl4 Cu N14 O14.5 | P -1 | 8.798; 14.565; 15.456 78.075; 74.593; 79.602 | 1852 | Li, Jie; Xi, Teng; Yan, Biao; Yang, Mingyan; Song, Jirong; Ma, Haixia Two Cu(ii) complexes of triadimefon: crystal structure, antifungal activities and structure‒activity relationship New J. Chem., 2015, 39, 6997 |
| 7054985 | CIF | C30 H38 Cl4 Cu N6 O5 | P -1 | 9.0593; 12.8399; 16.926 87.738; 74.848; 70.694 | 1791.1 | Li, Jie; Xi, Teng; Yan, Biao; Yang, Mingyan; Song, Jirong; Ma, Haixia Two Cu(ii) complexes of triadimefon: crystal structure, antifungal activities and structure‒activity relationship New J. Chem., 2015, 39, 6997 |
| 7054986 | CIF | C17 H13 Cl2 N O4 | P -1 | 7.7181; 8.3117; 14.132 99.319; 103.875; 106.46 | 817.9 | Chandrasekhara Rao, Lenka; Satish Kumar, Nandigama; Jagadeesh Babu, Nanubolu; Mitaram Meshram, Harshadas A simple and efficient one-pot synthesis of 2-alkyl/aryl/pyridyl substituted 2H-chromenes New J. Chem., 2015, 39, 7164 |
| 7054987 | CIF | C13 H21 F6 N4 O P | P -1 | 7.3802; 8.307; 14.538 93.277; 99.516; 96.9 | 870 | Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L. Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization New J. Chem., 2015, 39, 7234 |
| 7054988 | CIF | C14 H23 F6 N4 O P | P 1 21/n 1 | 9.8869; 8.5977; 21.7613 90; 94.16; 90 | 1844.94 | Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L. Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization New J. Chem., 2015, 39, 7234 |
| 7054989 | CIF | C13 H21 Cl3 N4 Ni O | P c 21 b | 8.1781; 15.6069; 28.0616 90; 90; 90 | 3581.64 | Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L. Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization New J. Chem., 2015, 39, 7234 |
| 7054990 | CIF | C12 H19 Cl3 N4 Ni O | P 1 21/c 1 | 13.383; 7.7341; 17.1341 90; 104.377; 90 | 1717.93 | Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L. Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization New J. Chem., 2015, 39, 7234 |
| 7054991 | CIF | C14 H23 Cl3 N4 Ni O | P 1 21/n 1 | 8.085; 17.5163; 13.4475 90; 99.51; 90 | 1878.25 | Ulbrich, Ana H. D. P. S.; Milani, Jorge L. S.; Roisnel, Thierry; Carpentier, Jean-François; Casagrande, Osvaldo L. Zwitterionic Ni(ii) complexes bearing pyrazolyl-ether-imidazolium ligands: synthesis, structural characterization and use in ethylene oligomerization New J. Chem., 2015, 39, 7234 |
| 7054992 | CIF | C17 H16 N2 | I 41 | 10.6396; 10.6396; 13.8377 90; 90; 90 | 1566.44 | Boominathan, Siva Senthil Kumar; Chen, Chung-Yu; Huang, Po-Jui; Hou, Ruei-Jhih; Wang, Jeh-Jeng A sequential one-pot approach to 1,2,4,5-tetrasubstituted-2H-imidazole synthesis from disubstituted alkynes New J. Chem., 2015, 39, 6914 |
| 7054993 | CIF | C13 H12 Cl Mo N3 O5 | P 1 21/c 1 | 13.309; 9.40511; 13.7393 90; 114.964; 90 | 1559.11 | Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation New J. Chem., 2015, 39, 7322 |
| 7054994 | CIF | C14 H14 Cl Mo N3 O5 | P 1 21/n 1 | 7.48269; 25.6417; 8.45241 90; 94.5659; 90 | 1616.61 | Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation New J. Chem., 2015, 39, 7322 |
| 7054995 | CIF | C17 H14 Cl Mo N3 O5 | P 1 21/n 1 | 8.08986; 17.0004; 13.1601 90; 105.619; 90 | 1743.09 | Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation New J. Chem., 2015, 39, 7322 |
| 7054996 | CIF | C18 H16 Cl Mo N3 O5 | P -1 | 7.5013; 9.4538; 13.3244 96.89; 90.248; 97.558 | 929.74 | Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation New J. Chem., 2015, 39, 7322 |
| 7054997 | CIF | C17 H23 Cl Mo N4 O6 | P 1 21/c 1 | 15.958; 11.4043; 12.2325 90; 109.225; 90 | 2102.04 | Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation New J. Chem., 2015, 39, 7322 |
| 7054998 | CIF | C18 H23 Cl Mo N4 O5 | P -1 | 9.2614; 9.9979; 11.8619 82.827; 72.104; 89.482 | 1036.52 | Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation New J. Chem., 2015, 39, 7322 |
| 7054999 | CIF | C18 H15 Mo N3 O5 | I 41/a | 25.2633; 25.2633; 11.2412 90; 90; 90 | 7174.52 | Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation New J. Chem., 2015, 39, 7322 |
| 7055000 | CIF | C17 H18 Mo N4 O4 | P 1 21/n 1 | 6.59351; 13.0715; 20.2077 90; 96.718; 90 | 1729.68 | Vrdoljak, Višnja; Prugovečki, Biserka; Pulić, Ivana; Cigler, Marko; Sviben, Dora; Parlov Vuković, Jelena; Novak, Predrag; Matković-Čalogović, Dubravka; Cindrić, Marina Dioxidomolybdenum(vi) complexes with isoniazid-related hydrazones: solution-based, mechanochemical and UV-light assisted deprotonation New J. Chem., 2015, 39, 7322 |
| 7055001 | CIF | C69 H58.5 Cl10.5 N12 O4.5 | P -1 | 11.4963; 16.0196; 20.763 78.971; 85.227; 81.247 | 3703.7 | Zaiter, Jamila; Achibat, Hanane; Amiri, Ouafa; Hafid, Abderrafia; Khouili, Mostafa; Rakib, El Mostapha; Neves, Cláudia M. B.; Neves, Maria Graça P. M. S.; Silva, Artur M. S.; Cavaleiro, José A. S.; Almeida Paz, Filipe A.; Faustino, Maria Amparo F. An easy synthetic access to new pyrazole spiro derivatives from 3-amino-1-phenyl-2-pyrazolin-5-one New J. Chem., 2015, 39, 6738 |
| 7055002 | CIF | C48 H48 I12 N6 O0 Pb3 | P 1 21/n 1 | 11.14; 23.478; 13.342 90; 92.663; 90 | 3486 | Wang, Chao-Hai; Du, Hai-Juan; Li, Yao; Niu, Yun-Yin; Hou, Hong-Wei Crystal structures and photocatalytic properties of two novel iodoplumbate hybrids templated by multivalent organic cations New J. Chem., 2015, 39, 7372 |
| 7055003 | CIF | C27 H32 I9 N3 O Pb3 | C 1 c 1 | 19.5741; 15.1598; 15.981 90; 97.571; 90 | 4700.9 | Wang, Chao-Hai; Du, Hai-Juan; Li, Yao; Niu, Yun-Yin; Hou, Hong-Wei Crystal structures and photocatalytic properties of two novel iodoplumbate hybrids templated by multivalent organic cations New J. Chem., 2015, 39, 7372 |
| 7055004 | CIF | C21 H19 Cu N3 O5 | P 1 21/n 1 | 8.258; 11.221; 21.508 90; 97.19; 90 | 1977.3 | Das, Kuheli; Panda, Uttam; Datta, Amitabha; Roy, Suman; Mondal, Sudipa; Massera, Chiara; Askun, Tulin; Celikboyun, Pinar; Garribba, Eugenio; Sinha, Chittaranjan; Anand, Kushi; Akitsu, Takashiro; Kobayashi, Kana An enolato-bridged dinuclear Cu(ii) complex with a coumarin-assisted precursor: a spectral, magnetic and biological study New J. Chem., 2015, 39, 7309 |
| 7055005 | CIF | C63 H73 Cd2.5 N9 Na O19 | P 1 2/c 1 | 25.45; 11.928; 25.835 90; 116.777; 90 | 7002 | Hu, Xiao-Li; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min Cluster-based metal‒organic frameworks as sensitive and selective luminescent probes for sensing nitro explosives New J. Chem., 2015, 39, 7858 |
| 7055006 | CIF | C54 H60 Ce2 O21 | P -1 | 14.202; 15.9564; 16.102 116.872; 93.433; 92.854 | 3236.9 | Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun Rare earth 3-(4′-hydroxyphenyl)propionate complexes New J. Chem., 2015, 39, 7688 |
| 7055007 | CIF | C27 H31 Er O11 | P n a 21 | 24.425; 5.3513; 22.945 90; 90; 90 | 2999 | Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun Rare earth 3-(4′-hydroxyphenyl)propionate complexes New J. Chem., 2015, 39, 7688 |
| 7055008 | CIF | C109 H132 La4 O47 | P -1 | 15.2502; 16.6406; 25.6709 89.014; 78.289; 64.668 | 5747.7 | Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun Rare earth 3-(4′-hydroxyphenyl)propionate complexes New J. Chem., 2015, 39, 7688 |
| 7055009 | CIF | C27 H29 Lu O10 | P 1 21/c 1 | 13.345; 8.0505; 24.55 90; 96.45; 90 | 2620.8 | Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun Rare earth 3-(4′-hydroxyphenyl)propionate complexes New J. Chem., 2015, 39, 7688 |
| 7055010 | CIF | C63 H73 Ce2 Na O26 | P -1 | 15.0063; 15.3267; 16.4093 103.726; 107.053; 94.662 | 3458.6 | Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun Rare earth 3-(4′-hydroxyphenyl)propionate complexes New J. Chem., 2015, 39, 7688 |
| 7055011 | CIF | C67 H83 Na Nd2 O27 | P -1 | 15.328; 15.48; 16.3 78.16; 70.63; 86.33 | 3571 | Deacon, Glen B.; Junk, Peter C.; Lee, Winnie W.; Forsyth, Maria; Wang, Jun Rare earth 3-(4′-hydroxyphenyl)propionate complexes New J. Chem., 2015, 39, 7688 |
| 7055015 | CIF | C44 H56 F24 O29 Ti4 Zn2 | P c a 21 | 19.2529; 20.832; 17.2971 90; 90; 90 | 6937.46 | Ehsan, Muhammad Ali; Khaledi, Hamid; Pandikumar, Alagarsamy; Rameshkumar, Perumal; Huang, Nay Ming; Arifin, Zainudin; Mazhar, Muhammad Nitrite ion sensing properties of ZnTiO3‒TiO2composite thin films deposited from a zinc‒titanium molecular complex New J. Chem., 2015, 39, 7442 |
| 7055016 | CIF | C15 H17 N2 S3 | P -1 | 6.6627; 9.345; 13.5348 98.497; 102.934; 107.792 | 760.54 | Magnan, François; Korobkov, Ilia; Brusso, Jaclyn Influence of substitution pattern and enhanced π-conjugation on a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines New J. Chem., 2015, 39, 7272 |
| 7055017 | CIF | C18 H10 N4 S6 | P 1 21/n 1 | 5.6479; 28.28; 6.4275 90; 110.342; 90 | 962.59 | Magnan, François; Korobkov, Ilia; Brusso, Jaclyn Influence of substitution pattern and enhanced π-conjugation on a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines New J. Chem., 2015, 39, 7272 |
| 7055018 | CIF | C22 H30 N4 S4 | P 1 21/n 1 | 11.837; 5.482; 18.312 90; 92.953; 90 | 1186.7 | Magnan, François; Korobkov, Ilia; Brusso, Jaclyn Influence of substitution pattern and enhanced π-conjugation on a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines New J. Chem., 2015, 39, 7272 |
| 7055019 | CIF | C37 H34 Cl Cu N3 O4 | P 1 21 1 | 8.6469; 34.562; 11.4333 90; 109.165; 90 | 3227.5 | Mahendiran, Dharmasivam; Gurumoorthy, Perumal; Gunasekaran, Krishnasamy; Senthil Kumar, Raju; Rahiman, Aziz Kalilur Structural modeling, in vitro antiproliferative activity, and the effect of substituents on the DNA fastening and scission actions of heteroleptic copper(ii) complexes with terpyridines and naproxen New J. Chem., 2015, 39, 7895 |
| 7055020 | CIF | C33.5 H30 Cl Cu N3 O5.5 | P 1 | 8.59; 10.579; 18.094 83.522; 84.936; 69.681 | 1530 | Mahendiran, Dharmasivam; Gurumoorthy, Perumal; Gunasekaran, Krishnasamy; Senthil Kumar, Raju; Rahiman, Aziz Kalilur Structural modeling, in vitro antiproliferative activity, and the effect of substituents on the DNA fastening and scission actions of heteroleptic copper(ii) complexes with terpyridines and naproxen New J. Chem., 2015, 39, 7895 |
| 7055021 | CIF | C2 H3 Ag N4 | C 1 2/c 1 | 10.0809; 11.449; 7.5369 90; 100.493; 90 | 855.3 | Qu, Xiaoni; Zhang, Sheng; Yang, Qi; Su, Zhiyong; Wei, Qing; Xie, Gang; Chen, Sanping Silver(i)-based energetic coordination polymers: synthesis, structure and energy performance New J. Chem., 2015, 39, 7849 |
| 7055022 | CIF | C2 H Ag N4 O2 | P 1 21/c 1 | 3.6019; 11.273; 11.6 90; 93.389; 90 | 470.19 | Qu, Xiaoni; Zhang, Sheng; Yang, Qi; Su, Zhiyong; Wei, Qing; Xie, Gang; Chen, Sanping Silver(i)-based energetic coordination polymers: synthesis, structure and energy performance New J. Chem., 2015, 39, 7849 |
| 7055023 | CIF | C13 H28 Au2 Cu N8 O3 | I 1 2/a 1 | 11.6556; 14.2528; 13.4694 90; 98.262; 90 | 2214.4 | Karadağ, Ahmet; Aydın, Ali; Dede, Süreyya; Tekin, Şaban; Yanar, Yusuf; Çadırcı, Bilge Hilal; Soylu, Mustafa Serkan; Andaç, Ömer Five novel dicyanidoaurate(i)-based complexes exhibiting significant biological activities: synthesis, characterization and three crystal structures New J. Chem., 2015, 39, 8136 |
| 7055024 | CIF | C12 H26 Au2 N8 O3 Zn | I 1 2/a 1 | 10.895; 12.6494; 15.5745 90; 101.857; 90 | 2100.6 | Karadağ, Ahmet; Aydın, Ali; Dede, Süreyya; Tekin, Şaban; Yanar, Yusuf; Çadırcı, Bilge Hilal; Soylu, Mustafa Serkan; Andaç, Ömer Five novel dicyanidoaurate(i)-based complexes exhibiting significant biological activities: synthesis, characterization and three crystal structures New J. Chem., 2015, 39, 8136 |
| 7055025 | CIF | C12 H24 Au2 Cd N8 O3 | I 1 2/a 1 | 11.0302; 13.1045; 15.5492 90; 101.28; 90 | 2204.1 | Karadağ, Ahmet; Aydın, Ali; Dede, Süreyya; Tekin, Şaban; Yanar, Yusuf; Çadırcı, Bilge Hilal; Soylu, Mustafa Serkan; Andaç, Ömer Five novel dicyanidoaurate(i)-based complexes exhibiting significant biological activities: synthesis, characterization and three crystal structures New J. Chem., 2015, 39, 8136 |
| 7055026 | CIF | C8 H12 Br2 Se | C 1 2/c 1 | 12.7243; 10.1559; 7.678 90; 95.932; 90 | 986.89 | Potapov, Vladimir A.; Amosova, Svetlana V.; Abramova, Elena V.; Musalov, Maxim V.; Lyssenko, Konstantin A.; Finn, M. G. 2,6-Dihalo-9-selenabicyclo[3.3.1]nonanes and their complexes with selenium dihalides: synthesis and structural characterisation New J. Chem., 2015, 39, 8055 |
| 7055027 | CIF | C8 H12 Cl2 Se | P n m a | 15.5132; 7.6193; 7.9082 90; 90; 90 | 934.75 | Potapov, Vladimir A.; Amosova, Svetlana V.; Abramova, Elena V.; Musalov, Maxim V.; Lyssenko, Konstantin A.; Finn, M. G. 2,6-Dihalo-9-selenabicyclo[3.3.1]nonanes and their complexes with selenium dihalides: synthesis and structural characterisation New J. Chem., 2015, 39, 8055 |
| 7055028 | CIF | C16 H24 Cl6 Se3 | P 1 21/n 1 | 7.5401; 11.0902; 12.9721 90; 90.385; 90 | 1084.72 | Potapov, Vladimir A.; Amosova, Svetlana V.; Abramova, Elena V.; Musalov, Maxim V.; Lyssenko, Konstantin A.; Finn, M. G. 2,6-Dihalo-9-selenabicyclo[3.3.1]nonanes and their complexes with selenium dihalides: synthesis and structural characterisation New J. Chem., 2015, 39, 8055 |
| 7055029 | CIF | C11 H10 Cl2 Cu N2 Se2 | P b c a | 11.9328; 12.2111; 18.6534 90; 90; 90 | 2718 | Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis New J. Chem., 2015, 39, 7948 |
| 7055030 | CIF | C22 H20 Cu4 I4 N4 Se4 | P -1 | 9.086; 9.1684; 10.5159 70.96; 88.276; 77.37 | 807.25 | Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis New J. Chem., 2015, 39, 7948 |
| 7055031 | CIF | C26 H28 Cl2 Cu N4 Se4 | P -1 | 8.2538; 8.7192; 11.6817 87.058; 81.017; 62.798 | 738.35 | Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis New J. Chem., 2015, 39, 7948 |
| 7055032 | CIF | C13 H14 Cl2 Co N2 Se2 | P 1 21/n 1 | 20.476; 8.5749; 21.202 90; 115.735; 90 | 3353.4 | Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis New J. Chem., 2015, 39, 7948 |
| 7055033 | CIF | C13 H14 Ag N3 O3 Se2 | P 1 2/c 1 | 9.791; 4.442; 20.883 90; 90.96; 90 | 908.1 | Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis New J. Chem., 2015, 39, 7948 |
| 7055034 | CIF | C14 H16 Cl2 Cu N2 Se2 | P b c a | 10.2403; 11.4552; 14.8043 90; 90; 90 | 1736.61 | Cargnelutti, Roberta; da Silva, Felipe Dornelles; Abram, Ulrich; Lang, Ernesto Schulz Metal complexes with bis(2-pyridyl)diselenoethers: structural chemistry and catalysis New J. Chem., 2015, 39, 7948 |
| 7055035 | CIF | C22 H24 Cl Cu N3 O6 | P 1 21/c 1 | 13.127; 13.7157; 12.1763 90; 103.203; 90 | 2134.35 | Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines New J. Chem., 2015, 39, 7429 |
| 7055036 | CIF | C19 H24 Cl Cu N3 O6 | C 1 2/c 1 | 11.5021; 18.7307; 20.7277 90; 95.504; 90 | 4445 | Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines New J. Chem., 2015, 39, 7429 |
| 7055037 | CIF | C44 H62 Cl2 Cu2 N6 O15 | P -1 | 13.9094; 18.2391; 20.6775 90.039; 91.901; 111.884 | 4864.6 | Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines New J. Chem., 2015, 39, 7429 |
| 7055038 | CIF | C18 H22 Cl Cu N3 O6 | I 1 2/a 1 | 19.0697; 10.6833; 18.9974 90; 95.766; 90 | 3850.71 | Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines New J. Chem., 2015, 39, 7429 |
| 7055039 | CIF | C38 H48 Cl2 Cu2 N6 O12 | P b c a | 12.2844; 14.1806; 23.149 90; 90; 90 | 4032.56 | Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines New J. Chem., 2015, 39, 7429 |
| 7055040 | CIF | C66 H88 N4 O6 | C 1 2/c 1 | 54.957; 9.4249; 23.8226 90; 110.27; 90 | 11575.1 | Porada, Jan H.; Neudörfl, Jörg-M.; Blunk, Dirk Planar and distorted indigo as the core motif in novel chromophoric liquid crystals New J. Chem., 2015, 39, 8291 |
| 7055041 | CIF | C56 H70 N2 O6 | P 1 21/c 1 | 8.3342; 55.144; 10.6926 90; 104.663; 90 | 4754.1 | Porada, Jan H.; Neudörfl, Jörg-M.; Blunk, Dirk Planar and distorted indigo as the core motif in novel chromophoric liquid crystals New J. Chem., 2015, 39, 8291 |
| 7055042 | CIF | C37 H42 N4 O3 | P 1 21/c 1 | 16.6007; 11.3683; 20.5655 90; 120; 90 | 3361.2 | Girgis, Adel S.; Mabied, Ahmed F.; Stawinski, Jacek; Hegazy, Lamees; George, Riham F.; Farag, Hanaa; Shalaby, ElSayed M.; Farag, I. S. Ahmed Synthesis and DFT studies of an antitumor active spiro-oxindole New J. Chem., 2015, 39, 8017 |
| 7055043 | CIF | C30 H54 Ce Fe I N2 O2 Si2 | P -1 | 11.347; 11.36; 16.303 99.15; 93.557; 118.858 | 1793.5 | Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L. In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions New J. Chem., 2015, 39, 7696 |
| 7055044 | CIF | C52 H92 Fe2 I2 N4 O2 Pr2 Si4 | P 1 21/n 1 | 14.879; 13.738; 15.468 90; 91.074; 90 | 3161.2 | Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L. In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions New J. Chem., 2015, 39, 7696 |
| 7055045 | CIF | C30 H54 Fe I N2 O2 Si2 Sm | P -1 | 11.253; 11.6706; 16.3205 101.063; 92.506; 118.408 | 1827.5 | Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L. In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions New J. Chem., 2015, 39, 7696 |
| 7055046 | CIF | C30 H54 Fe I N2 O2 Si2 Tb | P -1 | 11.13; 11.608; 16.122 101.564; 91.881; 118.404 | 1775 | Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L. In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions New J. Chem., 2015, 39, 7696 |
| 7055047 | CIF | C30 H54 Fe I N2 O2 Si2 Tm | P -1 | 11.14; 11.605; 16.073 101.474; 92.374; 118.292 | 1770.8 | Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L. In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions New J. Chem., 2015, 39, 7696 |
| 7055048 | CIF | C30 H54 Fe I N2 O2 Si2 Yb | P -1 | 11.5979; 11.6945; 16.109 76.069; 78.51; 56.888 | 1770.1 | Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L. In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions New J. Chem., 2015, 39, 7696 |
| 7055049 | CIF | C51 H84 Fe2 K N4 Si4 Yb | P 21 21 21 | 13.541; 19.611; 20.563 90; 90; 90 | 5460.6 | Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L. In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions New J. Chem., 2015, 39, 7696 |
| 7055050 | CIF | C30 H54 Cl Fe N2 O2 Si2 Yb | P -1 | 10.605; 11.35; 16.204 100.677; 94.486; 114.277 | 1721 | Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L. In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions New J. Chem., 2015, 39, 7696 |
| 7055051 | CIF | C26 H20 N2 O | P 1 21/c 1 | 12.0342; 17.4069; 9.4392 90; 91.757; 90 | 1976.38 | Liang, Zuo-Qin; Wang, Xiao-Mei; Dai, Guo-Liang; Ye, Chang-Qing; Zhou, Yu-Yang; Tao, Xu-Tang The solvatochromism and aggregation-induced enhanced emission based on triphenylamine-propenone New J. Chem., 2015, 39, 8874 |
| 7055052 | CIF | C27 H21 N O | P 1 21/c 1 | 12.1179; 17.3412; 9.5281 90; 91.21; 90 | 2001.8 | Liang, Zuo-Qin; Wang, Xiao-Mei; Dai, Guo-Liang; Ye, Chang-Qing; Zhou, Yu-Yang; Tao, Xu-Tang The solvatochromism and aggregation-induced enhanced emission based on triphenylamine-propenone New J. Chem., 2015, 39, 8874 |
| 7055053 | CIF | C22 H24 Gd N7 Ni O15 | P 1 21/n 1 | 10.3265; 17.115; 17.194 90; 96.575; 90 | 3018.8 | Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue New J. Chem., 2015, 39, 8356 |
| 7055054 | CIF | C22 H24 N7 Ni O15 Tb | P 1 21/n 1 | 10.309; 17.095; 17.232 90; 96.548; 90 | 3017 | Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue New J. Chem., 2015, 39, 8356 |
| 7055055 | CIF | C22 H24 Dy N7 Ni O15 | C 1 c 1 | 21.577; 9.4531; 15.866 90; 114.88; 90 | 2935.8 | Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue New J. Chem., 2015, 39, 8356 |
| 7055056 | CIF | C23 H32 N5 Ni O17 Tb | P -1 | 10.0281; 12.0551; 15.254 71.779; 86.572; 68.175 | 1622.7 | Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue New J. Chem., 2015, 39, 8356 |
| 7055057 | CIF | C23 H32 Dy N5 Ni O17 | P -1 | 10.0241; 12.042; 15.27 71.869; 86.592; 68.157 | 1622.6 | Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue New J. Chem., 2015, 39, 8356 |
| 7055058 | CIF | C30 H26 Br3 O5 | P -1 | 9.9779; 11.5105; 13.4027 91.472; 107.929; 109.296 | 1368.3 | Pavan Kumar, Chottanahalli S.; Harsha, Kachigere B.; Sandhya, Nagarakere C.; Ramesha, Ajjalli B.; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S. Highly diastereoselective synthesis of polycyclic amines via redox neutral C‒H functionalization New J. Chem., 2015, 39, 8397 |
| 7055059 | CIF | C30 H26 Br Cl N2 O3 | P -1 | 9.5848; 11.0031; 14.0353 87.764; 70.878; 65.624 | 1265.88 | Pavan Kumar, Chottanahalli S.; Harsha, Kachigere B.; Sandhya, Nagarakere C.; Ramesha, Ajjalli B.; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S. Highly diastereoselective synthesis of polycyclic amines via redox neutral C‒H functionalization New J. Chem., 2015, 39, 8397 |
| 7055060 | CIF | C35 H36 N2 O6 S2 | P 1 21/c 1 | 17.574; 8.964; 20.843 90; 106.682; 90 | 3145.3 | Pavan Kumar, Chottanahalli S.; Harsha, Kachigere B.; Sandhya, Nagarakere C.; Ramesha, Ajjalli B.; Mantelingu, Kempegowda; Rangappa, Kanchugarakoppal S. Highly diastereoselective synthesis of polycyclic amines via redox neutral C‒H functionalization New J. Chem., 2015, 39, 8397 |
| 7055061 | CIF | C15 H12 F3 N O | C 1 2/c 1 | 35.8393; 10.627; 15.166 90; 114.399; 90 | 5260.3 | Panini, Piyush; Chopra, Deepak Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides New J. Chem., 2015, 39, 8720 |
| 7055062 | CIF | C15 H12 F3 N O | P 1 21/c 1 | 15.1633; 9.9603; 17.7768 90; 97.269; 90 | 2663.27 | Panini, Piyush; Chopra, Deepak Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides New J. Chem., 2015, 39, 8720 |
| 7055063 | CIF | C15 H12 F3 N O | P b c a | 9.6555; 13.742; 19.3339 90; 90; 90 | 2565.3 | Panini, Piyush; Chopra, Deepak Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides New J. Chem., 2015, 39, 8720 |
| 7055064 | CIF | C16 H11 F6 N O | P 1 21/c 1 | 8.9803; 10.8526; 14.8181 90; 92.763; 90 | 1442.49 | Panini, Piyush; Chopra, Deepak Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides New J. Chem., 2015, 39, 8720 |
| 7055065 | CIF | C16 H11 F6 N O | P 1 21/c 1 | 9.0978; 22.1735; 7.9449 90; 101.946; 90 | 1568.02 | Panini, Piyush; Chopra, Deepak Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides New J. Chem., 2015, 39, 8720 |
| 7055066 | CIF | C16 H11 F6 N O | P 1 21/c 1 | 8.3764; 23.2362; 7.9755 90; 103.567; 90 | 1509 | Panini, Piyush; Chopra, Deepak Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides New J. Chem., 2015, 39, 8720 |
| 7055067 | CIF | C16 H11 F6 N O | P 1 21/c 1 | 11.2958; 14.0246; 10.4868 90; 115.258; 90 | 1502.48 | Panini, Piyush; Chopra, Deepak Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides New J. Chem., 2015, 39, 8720 |
| 7055068 | CIF | C16 H11 F6 N O | P 1 21/c 1 | 12.3185; 7.9401; 15.4912 90; 90.168; 90 | 1515.19 | Panini, Piyush; Chopra, Deepak Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides New J. Chem., 2015, 39, 8720 |
| 7055069 | CIF | C16 H11 F6 N O | P -1 | 8.9977; 10.8088; 16.672 105.291; 98.901; 102.688 | 1486.36 | Panini, Piyush; Chopra, Deepak Experimental and computational insights into the nature of weak intermolecular interactions in trifluoromethyl-substituted isomeric crystalline N-methyl-N-phenylbenzamides New J. Chem., 2015, 39, 8720 |
| 7055070 | CIF | C13 H16 I2 O2 | P 1 21/c 1 | 10.7818; 10.2566; 14.5072 90; 109.917; 90 | 1508.32 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055071 | CIF | C13 H16 I2 O2 | P 1 21/n 1 | 11.3978; 7.2145; 18.1044 90; 98.253; 90 | 1473.3 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055072 | CIF | C8 H6 I2 | C 1 2/c 1 | 10.1365; 15.9425; 5.7295 90; 94.279; 90 | 923.31 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055073 | CIF | C14 H10 I2 | P 1 21/n 1 | 5.7078; 17.4128; 7.0077 90; 110.984; 90 | 650.3 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055074 | CIF | C6 H6 I2 O4 | P 1 21/c 1 | 8.6795; 7.5937; 8.552 90; 108.798; 90 | 533.59 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055075 | CIF | C9 H8 I2 O | I 41/a | 23.9673; 23.9673; 7.5322 90; 90; 90 | 4326.7 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055076 | CIF | C11 H10 I2 O2 | P 1 21/n 1 | 12.8366; 7.0467; 14.279 90; 96.053; 90 | 1284.42 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055077 | CIF | C9 H8 I2 | P 1 21/c 1 | 18.9368; 7.607; 22.9348 90; 109.349; 90 | 3117.2 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055078 | CIF | C10 H8 I2 O2 | C 1 2/c 1 | 20.5998; 7.1799; 18.253 90; 120.835; 90 | 2318.1 | Hettstedt, Christina; Mayer, Peter; Karaghiosoff, Konstantin Halogen bonding in the crystal structures of 1,2-diiodo alkenes New J. Chem., 2015, 39, 8522 |
| 7055080 | CIF | C20 H16 N4 O5 S | P 1 21/n 1 | 6.1217; 24.779; 12.246 90; 98.345; 90 | 1837.9 | Surov, Artem O.; Voronin, Alexander P.; Simagina, Anna A.; Churakov, Andrei V.; Skachilova, Sophia Y.; Perlovich, German L. Saccharin salts of biologically active hydrazone derivatives New J. Chem., 2015, 39, 8614 |
| 7055081 | CIF | C21 H18 N4 O6 S | P 1 21/n 1 | 6.1904; 26.105; 12.4015 90; 100.464; 90 | 1970.8 | Surov, Artem O.; Voronin, Alexander P.; Simagina, Anna A.; Churakov, Andrei V.; Skachilova, Sophia Y.; Perlovich, German L. Saccharin salts of biologically active hydrazone derivatives New J. Chem., 2015, 39, 8614 |
| 7055082 | CIF | C42 H30 Cl6 N6 O11 Pd3 | R -3 :H | 18.766; 18.766; 24.688 90; 90; 120 | 7529.4 | Karami, Kazem; Lighvan, Zohreh Mehri; Barzani, Somayeh Asgari; Faal, Ali Yeganeh; Poshteh-Shirani, Marziyeh; Khayamian, Taghi; Eigner, Václav; Dušek, Michal Design and synthesis of a novel trinuclear palladium(ii) complex containing an oxime chelate ligand: determining the interaction mechanism with the DNA groove and BSA site I by spectroscopic and molecular dynamics simulation approaches New J. Chem., 2015, 39, 8708 |
| 7055083 | CIF | C73 H71 N11 O10.5 Yb | P 1 21/c 1 | 24.539; 20.456; 15.357 90; 97.384; 90 | 7645 | Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series New J. Chem., 2015, 39, 8650 |
| 7055084 | CIF | C53 H44 F6 N5 O8 S2 Yb | P -1 | 13.003; 14.986; 15.684 117.719; 95.949; 92.878 | 2674.1 | Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series New J. Chem., 2015, 39, 8650 |
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