Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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7236216 | CIF | C H2 Ag2 N8 | P b a m | 16.3005; 6.3588; 6.4725 90; 90; 90 | 670.89 | Qu, Xiaoni; Yang, Qi; Han, Jing; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli High performance 5-aminotetrazole-based energetic MOF and its catalytic effect on decomposition of RDX RSC Advances, 2016, 6, 46212 |
7224545 | CIF | C10 H15 Cl Cu N4 O3 S | P -1 | 7.685; 9.476; 10.132 99.684; 102.043; 94.185 | 706.8 | Mohamed Subarkhan, M.; Prabhu, R. N.; Raj Kumar, R.; Ramesh, R. Antiproliferative activity of cationic and neutral thiosemicarbazone copper(ii) complexes RSC Adv., 2016, 6, 25082 |
7226070 | CIF | C10 H15 N O S | P -1 | 7.215; 8.581; 9.903 103.094; 93.329; 112.892 | 542.8 | Groves, Brandon R.; Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison Thionation reactions of 2-pyrrole carboxylates RSC Adv., 2016, 6, 69691 |
7226484 | CIF | C10 H17 K2 N O8 S2 | P n m a | 8.2498; 22.5592; 8.7439 90; 90; 90 | 1627.32 | Cardona, Maria A.; Kveder, Marina; Baisch, Ulrich; Probert, Michael R.; Magri, David C. Water-soluble β-aminobisulfonate building blocks for pH and Cu2+indicators RSC Adv., 2016, 6, 84712 |
7224676 | CIF | C10 H20 Bi I N2 S4 | P 1 21/c 1 | 11.845; 18.266; 8.659 90; 106.904; 90 | 1792.5 | Arda, M.; Ozturk, I. I.; Banti, C. N.; Kourkoumelis, N.; Manoli, M.; Tasiopoulos, A. J.; Hadjikakou, S. K. Novel bismuth compounds: synthesis, characterization and biological activity against human adenocarcinoma cells RSC Adv., 2016, 6, 29026 |
7236255 | CIF | C10 H22 N Na O7 S2 | C 1 2/c 1 | 29.6781; 10.9086; 9.8067 90; 104.142; 90 | 3078.7 | Hosseini-Bab-Anari, Elham; Boschin, Andrea; Mandai, Toshihiko; Masu, Hyuma; Moth-Poulsen, Kasper; Johansson, Patrik Fluorine-free salts for aqueous lithium-ion and sodium-ion battery electrolytes RSC Advances, 2016, 6, 85194 |
7236231 | CIF | C10 H28 Dy N2 Na O16 | F d d 2 | 35.4573; 19.4184; 12.0642 90; 90; 90 | 8306.5 | Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks RSC Advances, 2016, 6, 72510 |
7236232 | CIF | C10 H28 Eu N2 Na O16 | F d d 2 | 35.4574; 19.4184; 12.0642 90; 90; 90 | 8306.5 | Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks RSC Advances, 2016, 6, 72510 |
7236254 | CIF | C10 H28 Li N O9 S2 | C 1 c 1 | 14.437; 15.0453; 9.43 90; 122.287; 90 | 1731.6 | Hosseini-Bab-Anari, Elham; Boschin, Andrea; Mandai, Toshihiko; Masu, Hyuma; Moth-Poulsen, Kasper; Johansson, Patrik Fluorine-free salts for aqueous lithium-ion and sodium-ion battery electrolytes RSC Advances, 2016, 6, 85194 |
7236233 | CIF | C10 H28 N2 Na O16 Tb | F d d 2 | 35.306; 19.2934; 12.0542 90; 90; 90 | 8211 | Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks RSC Advances, 2016, 6, 72510 |
7236230 | CIF | C10 H28 N2 Na O16 Y | F d d 2 | 19.2891; 35.214; 12.0446 90; 90; 90 | 8181.3 | Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks RSC Advances, 2016, 6, 72510 |
7226180 | CIF | C11 H14 O3 S | P 21 21 21 | 7.7606; 10.8844; 12.686 90; 90; 90 | 1071.58 | Mangalum, A.; Boadi, F.; Masand, S. A.; Lalancette, R. A.; Pietrangelo, A. A Pb2±binding polychelatogen derived from thionated lactide RSC Adv., 2016, 6, 74250 |
7236273 | CIF | C11 H15 N2 O4 | P 1 21/c 1 | 9.0364; 18.7601; 7.32887 90; 105.84; 90 | 1195.24 | Udagawa, Akihiro; Johnston, Priscilla; Sakon, Aya; Toyoshima, Ryosuke; Uekusa, Hidehiro; Koshima, Hideko; Saito, Kei; Asahi, Toru Crystal-to-crystal photo-reversible polymerization mechanism of bis-thymine derivative RSC Advances, 2016, 6, 107317 |
7223890 | CIF | C11 H23 N O5 P | P 1 21/c 1 | 10.3979; 13.6246; 13.7301 90; 130.745; 90 | 1473.65 | Audran, Gérard; Bosco, Lionel; Brémond, Paul; Butscher, Teddy; Franconi, Jean-Michel; Kabitaev, Kuanysh; Marque, Sylvain R. A.; Mellet, Philippe; Parzy, Elodie; Santelli, Maurice; Thiaudière, Eric; Viel, Stéphane β-Phosphorus hyperfine coupling constant in nitroxides: 5. Solvent effect RSC Adv., 2016, 6, 5653 |
7226496 | CIF | C11 H8 Cl4 O3 | P -1 | 6.5579; 7.6349; 15.6331 84.549; 86.322; 78.859 | 763.67 | Zeng, Xianghua; Gong, Chunhua; Zhang, Junyong; Xie, Jingli A simple and highly diasteroselective approach for the vicinal dichlorination of functional olefins RSC Adv., 2016, 6, 85182 |
7224373 | CIF | C112 H174 Na6 Ni4 O42 Si12 | P -1 | 14.7272; 15.6359; 16.932 113.914; 96.98; 95.989 | 3486.8 | Anisimov, Anton A.; Kononevich, Yuriy N.; Zhemchugov, Pavel V.; Milenin, Sergey A.; Korlyukov, Alexander A.; Tsareva, Ul'yana S.; Peregudov, Alexander S.; Dorovatovskii, Pavel V.; Molodtsova, Yuliya A.; Takazova, Rina U.; Shchegolikhina, Olga I.; Muzafarov, Aziz M. Synthesis and structure of new polyhedral Ni, Na- and Cu, Na-metallasiloxanes with tolyl substituent at the silicon atom RSC Adv., 2016, 6, 22052 |
7236248 | CIF | C113 H84 N10 O6 P4 Ru2 | P -1 | 9.5781; 20.6594; 25.4364 109.328; 94.237; 101.367 | 4603.5 | Shen, Chang; Yu, Fei; Chu, Wing-Kin; Xiang, Jing; Tan, Peng; Luo, Ya; Feng, Hua; Guo, Zheng-Qing; Leung, Chi-Fai; Lau, Tai-Chu Synthesis, structures and photophysical properties of luminescent cyanoruthenate(ii) complexes with hydroxylated bipyridine and phenanthroline ligands RSC Advances, 2016, 6, 87389 |
7225355 | CIF | C12 H10 O4 S2 | P -1 | 3.9254; 6.0049; 13.818 77.96; 88.838; 72.527 | 303.54 | Muthumari, Subramanian; Ramesh, Rengan Highly efficient palladium(ii) hydrazone based catalysts for the Suzuki coupling reaction in aqueous medium RSC Adv., 2016, 6, 52101 |
7236188 | CIF | C12 H12 Cu N2 O6 S | I 1 2/c 1 | 7.0081; 13.8198; 14.2897 90; 99.282; 90 | 1365.84 | Kamath, Amarjit; Mishra, Dipu Kumar; Brahman, Dhiraj; Pilet, Guillaume; Sinha, Biswajit; Tamang, Abiral Poly[diaquo(1,10-phenanthroline-κ2N1:N10)(μ2-sulphato-κ2O:O′)copper(ii)]: hydrothermal synthesis, crystal structure and magnetic properties RSC Advances, 2016, 6, 46030 |
7223946 | CIF | C12 H14 Br N O5 | P 21 21 21 | 5.837; 9.2077; 25.6068 90; 90; 90 | 1376.25 | Lin, Chia-Hsin; Hong, Bor-Cherng; Lee, Gene-Hsiang Asymmetric synthesis of functionalized pyrrolizidines by an organocatalytic and pot-economy strategy RSC Adv., 2016, 6, 8243 |
7225089 | CIF | C12 H20 B F7 N2 S | P 1 21/n 1 | 7.926; 15.738; 13.422 90; 100.404; 90 | 1646.7 | Mizuta, Satoshi; Kitamura, Kanami; Nishi, Kodai; Hashimoto, Ryo; Usui, Toshiya; Chiba, Kenya Activity of N,N′-dialkyl-2-trifluoromethylthioimidazolium salts as phase-transfer catalyst for the alkylation of active methylene compounds RSC Adv., 2016, 6, 43159 |
7224187 | CIF | C12 H40 Ge2 N8 O2 S6 V2 | R -3 c :H | 38.284; 38.284; 11.17 90; 90; 120 | 14178 | Qian, Li-Wen; Zhao, Xiao-Wei; Su, Hu-Chao; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie Supramolecular hexagonal nano tubes assembled by vanadium diamine complexes with thiogermanates RSC Adv., 2016, 6, 16268 |
7225438 | CIF | C12 H9 Br N2 O | P 1 21/n 1 | 4.5103; 19.8005; 12.1942 90; 95.592; 90 | 1083.83 | Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Garcia, Yann C‒H⋯Br‒C vs. C‒Br⋯Br‒C vs. C‒Br⋯N bonding in molecular self-assembly of pyridine-containing dyes RSC Adv., 2016, 6, 53669 |
7225439 | CIF | C12 H9 Br N2 O | P c a 21 | 6.1946; 7.0152; 25.1 90; 90; 90 | 1090.75 | Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Garcia, Yann C‒H⋯Br‒C vs. C‒Br⋯Br‒C vs. C‒Br⋯N bonding in molecular self-assembly of pyridine-containing dyes RSC Adv., 2016, 6, 53669 |
7225579 | CIF | C12 H9 N5 O8 | P 1 21/n 1 | 14.29; 7.43; 14.697 90; 116.638; 90 | 1394.8 | Jauhar, RO. MU.; Viswanathan, V.; Vivek, P.; Vinitha, G.; Velmurugan, D.; Murugakoothan, P. A new organic NLO material isonicotinamidium picrate (ISPA): crystal structure, structural modeling and its physico-chemical properties RSC Adv., 2016, 6, 57977 |
7225027 | CIF | C120 H92 Cl4 N14 O2 Rh2 | P -1 | 12.499; 14.522; 14.653 92.88; 101.13; 109.11 | 2447.3 | Xue, Zhaoli; Wang, Yemei; Mack, John; Mkhize, Scebi; Nyokong, Tebello; Fang, Yuanyuan; Ou, Zhongping; Kadish, Karl M. Synthesis, characterization and electrochemistry of rhodium(iii) complexes of meso-substituted [14]tribenzotriphyrin(2.1.1) RSC Adv., 2016, 6, 41919 |
7224376 | CIF | C129 H210 O24 Si24 | P -1 | 18.511; 19.755; 26.771 71.01; 88.51; 62.94 | 8157 | Anisimov, Anton A.; Kononevich, Yuriy N.; Zhemchugov, Pavel V.; Milenin, Sergey A.; Korlyukov, Alexander A.; Tsareva, Ul'yana S.; Peregudov, Alexander S.; Dorovatovskii, Pavel V.; Molodtsova, Yuliya A.; Takazova, Rina U.; Shchegolikhina, Olga I.; Muzafarov, Aziz M. Synthesis and structure of new polyhedral Ni, Na- and Cu, Na-metallasiloxanes with tolyl substituent at the silicon atom RSC Adv., 2016, 6, 22052 |
7227256 | CIF | C13 H11 N3 Se | R -3 :H | 31.935; 31.935; 6.3894 90; 90; 120 | 5643.2 | Sharma, Nidhi; Kumar, Sanjeev; Maurya, Indresh K.; Bhasin, K. K.; Verma, Ajay; Wangoo, Nishima; Bhasin, Aman K. K.; Mehta, S. K.; Kumar, Sangit; Sharma, Rohit K. Synthesis, structural analysis, antimicrobial evaluation and synergistic studies of imidazo[1,2-a]pyrimidine chalcogenides RSC Adv., 2016, 6, 114224 |
7226481 | CIF | C13 H12 N2 O | P n a 21 | 9.1004; 10.5785; 11.775 90; 90; 90 | 1133.6 | Singh, Anoop S.; Kumar, Dhananjay; Mishra, Nidhi; Tiwari, Vinod K. An efficient one-pot synthesis of N,N′-disubstituted ureas and carbamates from N-acylbenzotriazoles RSC Adv., 2016, 6, 84512 |
7236196 | CIF | C13 H14 B Cl N4 O4 | P -1 | 7.51; 9.471; 11.878 85.63; 79.47; 68.96 | 775.2 | TalwelkarShimpi, Mayura; Öberg, Sven; Giri, Lopamudra; Pedireddi, V. R. Experimental and theoretical studies of molecular complexes of theophylline with some phenylboronic acids RSC Advances, 2016, 6, 43060 |
7236197 | CIF | C13 H14 B I N4 O4 | P -1 | 7.475; 9.623; 11.957 87.25; 80.94; 71.63 | 806.1 | TalwelkarShimpi, Mayura; Öberg, Sven; Giri, Lopamudra; Pedireddi, V. R. Experimental and theoretical studies of molecular complexes of theophylline with some phenylboronic acids RSC Advances, 2016, 6, 43060 |
7236198 | CIF | C13 H15 B N4 O5 | P 1 21/c 1 | 12.858; 8.2154; 14.199 90; 98.03; 90 | 1485.2 | TalwelkarShimpi, Mayura; Öberg, Sven; Giri, Lopamudra; Pedireddi, V. R. Experimental and theoretical studies of molecular complexes of theophylline with some phenylboronic acids RSC Advances, 2016, 6, 43060 |
7226581 | CIF | C13 H17 Hg N S2 | P 1 21/n 1 | 8.799; 15.123; 11.633 90; 108.238; 90 | 1470.2 | Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L. Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties RSC Advances, 2016, 6, 93867-93880 |
7224890 | CIF | C13 H21 I2 Mn N3 O2 | P 1 21/n 1 | 14.6223; 16.5304; 15.2077 90; 98.781; 90 | 3632.8 | Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk Structural and magnetic properties of heptacoordinated MnIIcomplexes containing a 15-membered pyridine-based macrocycle and halido/pseudohalido axial coligands RSC Adv., 2016, 6, 34674 |
7224891 | CIF | C13 H21 Mn N9 O2 | P 1 21/n 1 | 9.8283; 12.8416; 13.4703 90; 100.3; 90 | 1672.7 | Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk Structural and magnetic properties of heptacoordinated MnIIcomplexes containing a 15-membered pyridine-based macrocycle and halido/pseudohalido axial coligands RSC Adv., 2016, 6, 34674 |
7226801 | CIF | C13 H22 N2 O2 | P 1 21/c 1 | 12.976; 9.0107; 12.2487 90; 102.498; 90 | 1398.22 | Kim, Hyejin; Choi, Sung Ho; Ahn, Duseong; Kim, Yoseph; Ryu, Ji Yeon; Lee, Junseong; Kim, Youngjo Facile synthesis of a dimeric titanium(iv) complex with terminal TiO moieties and its application as a catalyst for the cycloaddition reaction of CO2to epoxides RSC Adv., 2016, 6, 97800 |
7224666 | CIF | C13 H72 As2 K7 N3 Na10 O115 Sn4 W22 | P -1 | 11.9822; 22.5; 25.497 69.912; 82.904; 86.609 | 6405.3 | Ji, Li-Ping; Du, Jing; Li, Jian-Sheng; Zhang, Lan-Cui; Sang, Xiao-Jing; Yang, He; Cui, Hong-Juan; Zhu, Zai-Ming A new boat-like tungstoarsenate functionalized by carboxyethyltin and its catalytic properties RSC Adv., 2016, 6, 28956 |
7226335 | CIF | C14 H11 N O4 | P 1 21/c 1 | 8.093; 13.179; 11.412 90; 91.431; 90 | 1216.8 | Vaz, Wesley F.; Custodio, Jean M. F.; Silveira, Rafael G.; Castro, Adailton N.; Campos, Carlos E. M.; Anjos, Murilo M.; Oliveira, Guilherme R.; Valverde, Clodoaldo; Baseia, Basílio; Napolitano, Hamilton B. Synthesis, characterization, and third-order nonlinear optical properties of a new neolignane analogue RSC Adv., 2016, 6, 79215 |
7236037 | CIF | C14 H12 N2 O4 | P 1 21/c 1 | 8.9865; 9.5514; 14.1428 90; 90.203; 90 | 1213.92 | Sutradhar, Manas; Alegria, Elisabete C. B. A.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L. Iron(iii) and cobalt(iii) complexes with both tautomeric (keto and enol) forms of aroylhydrazone ligands: catalysts for the microwave assisted oxidation of alcohols RSC Advances, 2016, 6, 8079 |
7236258 | CIF | C14 H15 Cl2 N O4 | P 1 21/c 1 | 14.5283; 6.1794; 17.9542 90; 101.022; 90 | 1582.13 | Sharma, Chiranjeev; Singh, Ashawani K.; Joy, Jyothish; Jemmis, Eluvathingal D.; Awasthi, Satish K. Experimental and theoretical study of intramolecular O⋯O interaction in structurally rigid β-keto carboxylic esters RSC Advances, 2016, 6, 91689 |
7223947 | CIF | C14 H16 Cl N O | P 21 21 21 | 7.6652; 7.8614; 20.6346 90; 90; 90 | 1243.42 | Lin, Chia-Hsin; Hong, Bor-Cherng; Lee, Gene-Hsiang Asymmetric synthesis of functionalized pyrrolizidines by an organocatalytic and pot-economy strategy RSC Adv., 2016, 6, 8243 |
7236239 | CIF | C14 H16 N2 O4 | P 21 21 21 | 10.0012; 10.368; 12.5874 90; 90; 90 | 1305.2 | Nazarian, Zohreh; Forsyth, Craig Double cyclization of O-acylated hydroxyamides generates 1,6-dioxa-3,9-diazaspiro[4.4]nonanes a new class of oxy-oxazolidinones RSC Advances, 2016, 6, 55534 |
7225890 | CIF | C14 H18 Br Cl N4 O8 | P 1 | 8.1185; 8.2996; 8.8998 100.911; 106.931; 117.952 | 467.58 | Spaniol, Jacqueline M.; Wheeler, Kraig A. Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition RSC Adv., 2016, 6, 64921 |
7226951 | CIF | C14 H18 O4 Pd | P -1 | 7.2285; 7.6427; 7.6586 62.479; 67.121; 63.114 | 325.9 | Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H. Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application RSC Adv., 2016, 6, 102557 |
7224167 | CIF | C14 H2 N3 O5 | P -1 | 6.9555; 9.2797; 11.0293 97.828; 99.815; 100.154 | 680.26 | Oruganti, Madhavi; Khade, Pavan; Das, Uttam Kumar; Trivedi, Darshak R. The hierarchies of hydrogen bonds in salts/cocrystals of isoniazid and its Schiff base ‒ a case study RSC Adv., 2016, 6, 15868 |
7226584 | CIF | C14 H24 Cu N2 S4 | P 1 21/c 1 | 8.4525; 18.6204; 12.1412 90; 106.579; 90 | 1831.45 | Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L. Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties RSC Advances, 2016, 6, 93867-93880 |
7226583 | CIF | C14 H24 N2 S4 | P 1 21/c 1 | 12.7159; 6.4218; 22.3157 90; 104.133; 90 | 1767.1 | Bharty, M. K.; Nath, Paras; Singh, Nand Kishor; Maiti, Biswajit; Bharty, A.; Butcher, R. J; Wikaira, Jan L. Ag(I), Cu(II), Co(III), Hg(II) complexes and metal assisted products derived from 4-methyl-piperidine-carbodithioate: Synthesis, structures, thermal analysis, redox behaviour and fluorescence properties RSC Advances, 2016, 6, 93867-93880 |
7223950 | CIF | C14 H25 Cl N2 Se Sn | P 1 21/c 1 | 9.192; 12.655; 15.99 90; 92.278; 90 | 1858.6 | Tyagi, Adish; Kedarnath, G.; Wadawale, Amey; Shah, Alpa Y.; Jain, Vimal K.; Vishwanadh, B. Diorganotin(iv) 4,6-dimethyl-2-pyrimidyl selenolates: synthesis, structures and their utility as molecular precursors for the preparation of SnSe2nano-sheets and thin films RSC Adv., 2016, 6, 8367 |
7226964 | CIF | C140 H228 Cl O144 S20 Yb7 | P -1 | 15.3316; 19.0247; 21.5272 78.723; 71.13; 73.949 | 5670.9 | Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L. Functional heterocyclic molecular inclusion in p-sulfonatocalix[5]arene and lanthanide(iii) complexes RSC Adv., 2016, 6, 102695 |
7236189 | CIF | C15 H10 B F2 N O2 | P 1 21/n 1 | 7.1854; 12.877; 13.705 90; 93.63; 90 | 1265.5 | Zhang, Zhenqi; Wu, Zhu; Sun, Jingbo; Xue, Pengchong; Lu, Ran Multi-color solid-state emission of β-iminoenolate boron complexes tuned by methoxyl groups: aggregation-induced emission and mechanofluorochromism RSC Advances, 2016, 6, 43755 |
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