Crystallography Open Database
Search results
Result: there are 669 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'New Journal of Chemistry' volume of publication is 39
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7054506 | CIF | C23 H29 Fe N6 O4 | P 1 21/n 1 | 11.0321; 11.3322; 18.9441 90; 96.974; 90 | 2350.8 | Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands New J. Chem., 2015, 39, 508 |
| 7054507 | CIF | C36 H53 Fe N4 O2 S | P 1 21/c 1 | 18.2879; 11.8974; 17.3763 90; 96.903; 90 | 3753.3 | Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands New J. Chem., 2015, 39, 508 |
| 7054508 | CIF | C23 H27 Fe N4 O4 S | P 1 21/n 1 | 11.5785; 11.6541; 18.2132 90; 106.508; 90 | 2356.33 | Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands New J. Chem., 2015, 39, 508 |
| 7054509 | CIF | C18 H21 Cl2 N5 Zn | P -1 | 7.927; 10.615; 12.92 78.84; 74.08; 70.62 | 979.9 | Štefane, Bogdan; Perdih, Franc; Višnjevac, Aleksandar; Požgan, Franc Novel triazole-based ligands and their zinc(ii) and nickel(ii) complexes with a nitrogen donor environment as potential structural models for mononuclear active sites New J. Chem., 2015, 39, 566 |
| 7054510 | CIF | C28 H26 Cl2 N6 Zn | P 1 21/c 1 | 8.8955; 14.5691; 21.5718 90; 91.451; 90 | 2794.8 | Štefane, Bogdan; Perdih, Franc; Višnjevac, Aleksandar; Požgan, Franc Novel triazole-based ligands and their zinc(ii) and nickel(ii) complexes with a nitrogen donor environment as potential structural models for mononuclear active sites New J. Chem., 2015, 39, 566 |
| 7054511 | CIF | C24 H29 Cl2 N5 Ni O2 | P -1 | 6.4217; 11.6331; 34.4621 89.715; 85.211; 82.58 | 2543.95 | Štefane, Bogdan; Perdih, Franc; Višnjevac, Aleksandar; Požgan, Franc Novel triazole-based ligands and their zinc(ii) and nickel(ii) complexes with a nitrogen donor environment as potential structural models for mononuclear active sites New J. Chem., 2015, 39, 566 |
| 7054512 | CIF | C27 H23 Cu N3 O4 S | C 1 2/c 1 | 26.919; 8.723; 22.424 90; 107.99; 90 | 5008.1 | Li, Jun-Ling; Jiang, Lin; Wang, Bi-Wei; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping Significant differences in the biological activity of mononuclear Cu(ii) and Ni(ii) complexes with the polyquinolinyl ligand New J. Chem., 2015, 39, 529 |
| 7054513 | CIF | C29 H33 N3 Ni O7 S | P 1 21/n 1 | 14.759; 13.805; 14.772 90; 96.14; 90 | 2992.5 | Li, Jun-Ling; Jiang, Lin; Wang, Bi-Wei; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Yan, Shi-Ping Significant differences in the biological activity of mononuclear Cu(ii) and Ni(ii) complexes with the polyquinolinyl ligand New J. Chem., 2015, 39, 529 |
| 7054514 | CIF | C11 H10 N2 O2 | P 1 21/c 1 | 15.6778; 3.9598; 17.4076 90; 108.928; 90 | 1022.24 | Song, Qingbao; Wang, Yongsheng; Hu, Chenchen; Zhang, Yujian; Sun, Jingwei; Wang, Kunyan; Zhang, Cheng Effect of stacking mode on the mechanofluorochromic properties of 3-aryl-2-cyano acrylamide derivatives New J. Chem., 2015, 39, 659 |
| 7054515 | CIF | C11 H10 N2 O2 | I 1 2/a 1 | 13.7381; 8.877; 17.564 90; 103.368; 90 | 2083.9 | Song, Qingbao; Wang, Yongsheng; Hu, Chenchen; Zhang, Yujian; Sun, Jingwei; Wang, Kunyan; Zhang, Cheng Effect of stacking mode on the mechanofluorochromic properties of 3-aryl-2-cyano acrylamide derivatives New J. Chem., 2015, 39, 659 |
| 7054516 | CIF | C11 H10 N2 O2 | P 1 21/c 1 | 3.92; 10.792; 23.124 90; 93.463; 90 | 976.5 | Song, Qingbao; Wang, Yongsheng; Hu, Chenchen; Zhang, Yujian; Sun, Jingwei; Wang, Kunyan; Zhang, Cheng Effect of stacking mode on the mechanofluorochromic properties of 3-aryl-2-cyano acrylamide derivatives New J. Chem., 2015, 39, 659 |
| 7054517 | CIF | C32 H28 N6 O Ti2 | P 1 21/c 1 | 13.8001; 14.107; 14.966 90; 93.4; 90 | 2908.4 | Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan Titanocene(iii) pseudohalides: an ESR and structural study New J. Chem., 2015, 39, 576 |
| 7054518 | CIF | C30 H36 N2 O3 S2 Ti2 | P 1 21/c 1 | 9.842; 19.9841; 15.283 90; 99.947; 90 | 2960.7 | Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan Titanocene(iii) pseudohalides: an ESR and structural study New J. Chem., 2015, 39, 576 |
| 7054519 | CIF | C51 H78 N3 Si6 Ti3 | P -1 | 14.5932; 14.925; 15.54 74.368; 83.551; 61.471 | 2863.2 | Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan Titanocene(iii) pseudohalides: an ESR and structural study New J. Chem., 2015, 39, 576 |
| 7054520 | CIF | C36 H52 N6 Si4 Ti2 | P -1 | 7.598; 11.523; 25.0561 77.795; 89.851; 84.089 | 2132.3 | Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan Titanocene(iii) pseudohalides: an ESR and structural study New J. Chem., 2015, 39, 576 |
| 7054521 | CIF | C47 H60 N6 Si4 Ti2 | P -1 | 11.475; 11.6289; 18.8461 92.434; 99.597; 96.7 | 2457.8 | Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan Titanocene(iii) pseudohalides: an ESR and structural study New J. Chem., 2015, 39, 576 |
| 7054522 | CIF | C32 H52 Cl2 Si4 Ti2 | P -1 | 8.828; 9.427; 12.2471 71.689; 78.624; 89.462 | 947.09 | Křižan, Martin; Honzíček, Jan; Vinklárek, Jaromír; Růžičková, Zdeňka; Erben, Milan Titanocene(iii) pseudohalides: an ESR and structural study New J. Chem., 2015, 39, 576 |
| 7054523 | CIF | C21 H30 N8 O11 V2 | P -1 | 9.616; 12.119; 12.594 90.497; 98.27; 113.05 | 1333 | Ma, Xi Tong; Xing, Na; Yan, Zhi Dan; Zhang, Xiao Xi; Wu, Qiong; Xing, Yong Heng Peroxo- and oxovanadium(iv) complexes with tridentate N-heterocycle ligands: synthesis, structure, and catalytic performance New J. Chem., 2015, 39, 1067 |
| 7054524 | CIF | C23 H32 N8 O12 S V | P -1 | 9.9813; 12.3482; 13.298 103.22; 93.546; 100.63 | 1558.9 | Ma, Xi Tong; Xing, Na; Yan, Zhi Dan; Zhang, Xiao Xi; Wu, Qiong; Xing, Yong Heng Peroxo- and oxovanadium(iv) complexes with tridentate N-heterocycle ligands: synthesis, structure, and catalytic performance New J. Chem., 2015, 39, 1067 |
| 7054525 | CIF | C22 H18 N3 O5.5 V | R -3 :H | 21.563; 21.563; 24.14 90; 90; 120 | 9720 | Ma, Xi Tong; Xing, Na; Yan, Zhi Dan; Zhang, Xiao Xi; Wu, Qiong; Xing, Yong Heng Peroxo- and oxovanadium(iv) complexes with tridentate N-heterocycle ligands: synthesis, structure, and catalytic performance New J. Chem., 2015, 39, 1067 |
| 7054526 | CIF | C42 H33 F10 O3 P3 Pt S2 | P -1 | 11.1223; 13.6579; 16.7386 67.229; 81.64; 71.075 | 2217.22 | Cervantes, Ruy; Tiburcio, Jorge; Torrens, Hugo cis and trans influences on [Pt(SRF)(triphos)]+complexes (SRF= polyfluorobenzothiolate) New J. Chem., 2015, 39, 631 |
| 7054527 | CIF | C41 H38 F3 O3 P3 Pt S2 | P 1 21/n 1 | 10.2751; 19.9018; 19.3686 90; 93.744; 90 | 3952.3 | Cervantes, Ruy; Tiburcio, Jorge; Torrens, Hugo cis and trans influences on [Pt(SRF)(triphos)]+complexes (SRF= polyfluorobenzothiolate) New J. Chem., 2015, 39, 631 |
| 7054528 | CIF | C41 H34 F7 O3 P3 Pt S2 | P 1 21/n 1 | 10.188; 19.711; 21.039 90; 96.02; 90 | 4201.7 | Cervantes, Ruy; Tiburcio, Jorge; Torrens, Hugo cis and trans influences on [Pt(SRF)(triphos)]+complexes (SRF= polyfluorobenzothiolate) New J. Chem., 2015, 39, 631 |
| 7054529 | CIF | C9 H8 N12 O8 | P -1 | 8.0665; 8.3119; 13.9189 90.693; 104.018; 118.084 | 790.11 | Wu, Bo; Wang, Zhixin; Yang, Hongwei; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin Synthesis and characterization of a new family of energetic salts based on a guanidinium cation containing a picryl moiety New J. Chem., 2015, 39, 893 |
| 7054530 | CIF | C8 H8 N8 O9 | P 1 21/c 1 | 17.582; 10.4936; 15.8405 90; 111.304; 90 | 2722.8 | Wu, Bo; Wang, Zhixin; Yang, Hongwei; Lin, Qiuhan; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin Synthesis and characterization of a new family of energetic salts based on a guanidinium cation containing a picryl moiety New J. Chem., 2015, 39, 893 |
| 7054531 | CIF | C16 H28 N2 O S | P 1 21/c 1 | 20.6963; 4.89894; 16.9658 90; 97.371; 90 | 1705.95 | Yadav, Priyanka; Ballabh, Amar Odd‒even effect in a thiazole based organogelator: understanding the interplay of non-covalent interactions on property and applications New J. Chem., 2015, 39, 721 |
| 7054532 | CIF | C17 H30 N2 O S | P 1 21/c 1 | 23.237; 4.9497; 15.6429 90; 90.966; 90 | 1798.9 | Yadav, Priyanka; Ballabh, Amar Odd‒even effect in a thiazole based organogelator: understanding the interplay of non-covalent interactions on property and applications New J. Chem., 2015, 39, 721 |
| 7054533 | CIF | C18 H32 N2 O S | P 1 21/c 1 | 22.1166; 19.4545; 9.42062 90; 101.186; 90 | 3976.38 | Yadav, Priyanka; Ballabh, Amar Odd‒even effect in a thiazole based organogelator: understanding the interplay of non-covalent interactions on property and applications New J. Chem., 2015, 39, 721 |
| 7054534 | CIF | C17 H30 N2 O S | P -1 | 4.9139; 8.2041; 23.1603 84.043; 87.033; 78.743 | 910.3 | Yadav, Priyanka; Ballabh, Amar Odd‒even effect in a thiazole based organogelator: understanding the interplay of non-covalent interactions on property and applications New J. Chem., 2015, 39, 721 |
| 7054535 | CIF | C15 H26 N2 O5 | P 1 | 10.036; 11.838; 15.884 79.36; 78.98; 74.71 | 1768.7 | Shi, Ming W.; Sobolev, Alexandre N.; Schirmeister, Tanja; Engels, Bernd; Schmidt, Thomas C.; Luger, Peter; Mebs, Stefan; Dittrich, Birger; Chen, Yu-Sheng; Bąk, Joanna M.; Jayatilaka, Dylan; Bond, Charles S.; Turner, Michael J.; Stewart, Scott G.; Spackman, Mark A.; Grabowsky, Simon Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: the case of loxistatin acid (E64c) New J. Chem., 2015, 39, 1628 |
| 7054536 | CIF | C20 H24 N2 O6 | C 1 2/c 1 | 29.7753; 4.8973; 13.9889 90; 103.74; 90 | 1981.47 | Parveen, Mehtab; Azaz, Shaista; Malla, Ali Mohammed; Ahmad, Faheem; Pereira da Silva, Pedro Sidonio; Ramos Silva, Manuela Solvent-free, [Et3NH][HSO4] catalyzed facile synthesis of hydrazone derivatives New J. Chem., 2015, 39, 469 |
| 7054537 | CIF | C23 H8 Br N O9 Ru3 | P -1 | 10.13; 10.886; 11.806 95.962; 105.519; 93.803 | 1241.6 | Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene New J. Chem., 2015, 39, 1075 |
| 7054538 | CIF | C32 H17 Br N2 O4 Ru2 | C 1 2/c 1 | 24.724; 10.628; 23.593 90; 115.263; 90 | 5607 | Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene New J. Chem., 2015, 39, 1075 |
| 7054539 | CIF | C28 H16 Br2 N2 | C 1 2/c 1 | 23.277; 6.251; 14.611 90; 92.423; 90 | 2124 | Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene New J. Chem., 2015, 39, 1075 |
| 7054540 | CIF | C21 H8 Br N O7 Ru3 | P -1 | 7.181; 9.6498; 16.7441 95.889; 98.26; 104.031 | 1102.52 | Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene New J. Chem., 2015, 39, 1075 |
| 7054541 | CIF | C22 H14 O4 Ru2 | P 1 21/c 1 | 9.241; 13.168; 8.138 90; 112.245; 90 | 916.6 | Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene New J. Chem., 2015, 39, 1075 |
| 7054542 | CIF | C27 H16 Br N O5 Ru2 | P 1 21/c 1 | 13.5255; 12.8602; 15.6149 90; 114.691; 90 | 2467.7 | Ma, Zhihong; Fan, Dong; Li, Suzhen; Han, Zhangang; Li, Xiaoyan; Zheng, Xuezhong; Lin, Jin Reactivity of a trinuclear ruthenium complex involving C‒H activation and insertion of alkene New J. Chem., 2015, 39, 1075 |
| 7054543 | CIF | C69 H59.33 Eu2 N12 O11.67 | C 1 2/c 1 | 46.333; 17.299; 32.343 90; 123.542; 90 | 21607 | Das, Kuheli; Nandi, Soumendra; Mondal, Sudipa; Askun, Tulin; Cantürk, Zerrin; Celikboyun, Pinar; Massera, Chiara; Garribba, Eugenio; Datta, Amitabha; Sinha, Chittaranjan; Akitsu, Takashiro Triply phenoxo bridged Eu(iii) and Sm(iii) complexes with 2,6-diformyl-4-methylphenol-di(benzoylhydrazone): structure, spectra and biological study in human cell lines New J. Chem., 2015, 39, 1101 |
| 7054544 | CIF | C80 H104 Li N8 Nd O3 | P -1 | 12.6452; 15.0817; 20.7038 101.662; 97.13; 106.03 | 3648 | Yakovenko, Marina V.; Udilova, Natalia Yu.; Glukhova, Tatyana A.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A. Amido rare-earth complexes supported by an ansa bis(amidinate) ligand with a rigid 1,8-naphthalene linker: synthesis, structures and catalytic activity in rac-lactide polymerization and hydrophosphonylation of carbonyl compounds New J. Chem., 2015, 39, 1083 |
| 7054545 | CIF | C46 H68 N5 Nd O Si2 | P 1 21/c 1 | 23.9499; 19.4258; 21.8709 90; 116.878; 90 | 9076.1 | Yakovenko, Marina V.; Udilova, Natalia Yu.; Glukhova, Tatyana A.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A. Amido rare-earth complexes supported by an ansa bis(amidinate) ligand with a rigid 1,8-naphthalene linker: synthesis, structures and catalytic activity in rac-lactide polymerization and hydrophosphonylation of carbonyl compounds New J. Chem., 2015, 39, 1083 |
| 7054546 | CIF | C26 H28 Br2 F8 N4 | C 1 2 1 | 13.0391; 6.8246; 15.9891 90; 92.828; 90 | 1421.08 | Yi, Hai; Albrecht, Markus; Valkonen, Arto; Rissanen, Kari Perfluoro-1,1′-biphenyl and perfluoronaphthalene and their derivatives as π-acceptors for anions New J. Chem., 2015, 39, 746 |
| 7054547 | CIF | C18 H18 Br F7 N2 O | P b c a | 13.647; 12.4533; 22.0643 90; 90; 90 | 3749.83 | Yi, Hai; Albrecht, Markus; Valkonen, Arto; Rissanen, Kari Perfluoro-1,1′-biphenyl and perfluoronaphthalene and their derivatives as π-acceptors for anions New J. Chem., 2015, 39, 746 |
| 7054548 | CIF | C18 H33 B10 N5 O5 | P 21 21 21 | 7.32285; 13.0124; 26.9145 90; 90; 90 | 2564.62 | Matuszewski, Michał; Kiliszek, Agnieszka; Rypniewski, Wojciech; Lesnikowski, Zbigniew J.; Olejniczak, Agnieszka B. Nucleoside bearing boron clusters and their phosphoramidites ‒ building blocks for modified oligonucleotide synthesis New J. Chem., 2015, 39, 1202 |
| 7054549 | CIF | C4 H16.86 Fe2 N12 O8.43 S5 | P b c a | 12.6104; 10.35013; 37.1231 90; 90; 90 | 4845.28 | Sanina, Nataliya A.; Aldoshin, Sergey M.; Shmatko, Natal'ya Yu.; Korchagin, Denis V.; Shilov, Gennadii V.; Knyazkina, Ekaterine V.; Ovanesyan, Nikolay S.; Kulikov, Alexander V. Nitrosyl iron complexes with enhanced NO donating ability: synthesis, structure and properties of a new type of salt with the DNIC cations [Fe(SC(NH2)2)2(NO)2]+ New J. Chem., 2015, 39, 1022 |
| 7054550 | CIF | C4 H16 Fe4 N16 O14 S8 | P -1 | 6.2712; 10.4132; 12.1912 86.462; 88.363; 87.613 | 793.65 | Sanina, Nataliya A.; Aldoshin, Sergey M.; Shmatko, Natal'ya Yu.; Korchagin, Denis V.; Shilov, Gennadii V.; Knyazkina, Ekaterine V.; Ovanesyan, Nikolay S.; Kulikov, Alexander V. Nitrosyl iron complexes with enhanced NO donating ability: synthesis, structure and properties of a new type of salt with the DNIC cations [Fe(SC(NH2)2)2(NO)2]+ New J. Chem., 2015, 39, 1022 |
| 7054551 | CIF | C13.4 H24.5 Cl0 Cu N1.5 O5.92 Y0.5 | P -1 | 9.4934; 13.2045; 14.699 76.486; 85.811; 83.394 | 1777.66 | Ahmed, Sohail; Mansoor, Muhammad Adil; Basirun, Wan Jefrey; Sookhakian, Mehran; Huang, Nay Ming; Mun, Lo Kong; Söhnel, Tilo; Arifin, Zainudin; Mazhar, Muhammad The synthesis and characterization of a hexanuclear copper‒yttrium complex for deposition of semiconducting CuYO2‒0.5Cu2O composite thin films New J. Chem., 2015, 39, 1031 |
| 7054552 | CIF | C12 H12 Cu4 N10 | P 1 21/c 1 | 15.368; 8.37; 13.71 90; 101.697; 90 | 1727 | Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhao, Zhi-Feng; Sun, Wen-Long; Zhou, Bai-Bin Two novel topological structures of [Cu(CN)] coordination polymers modified by flexible triazole ligands New J. Chem., 2015, 39, 1301 |
| 7054553 | CIF | C6 H8 Cu N4 | F d d 2 | 15.836; 24.736; 7.948 90; 90; 90 | 3113.4 | Xu, Hui; Zhou, Bo-Yu; Yu, Kai; Su, Zhan-Hua; Zhao, Zhi-Feng; Sun, Wen-Long; Zhou, Bai-Bin Two novel topological structures of [Cu(CN)] coordination polymers modified by flexible triazole ligands New J. Chem., 2015, 39, 1301 |
| 7054554 | CIF | C12 H18 Cl O4 P | C 1 2/c 1 | 33.1; 11.236; 8.061 90; 97.58; 90 | 2971.8 | Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior New J. Chem., 2015, 39, 1186 |
| 7054555 | CIF | C12 H18 Br O4 P | C 1 2/c 1 | 33.434; 11.241; 7.946 90; 97.374; 90 | 2962 | Dar, Aijaz A.; Mallick, Abhijit; Murugavel, Ramaswamy Synthetic strategies to achieve further-functionalised monoaryl phosphate primary building units: crystal structures and solid-state aggregation behavior New J. Chem., 2015, 39, 1186 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!