Crystallography Open Database

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7236216 CIFC H2 Ag2 N8P b a m16.3005; 6.3588; 6.4725
90; 90; 90
670.89Qu, 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 CIFC10 H15 Cl Cu N4 O3 SP -17.685; 9.476; 10.132
99.684; 102.043; 94.185
706.8Mohamed 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 CIFC10 H15 N O SP -17.215; 8.581; 9.903
103.094; 93.329; 112.892
542.8Groves, Brandon R.; Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison
Thionation reactions of 2-pyrrole carboxylates
RSC Adv., 2016, 6, 69691
7226484 CIFC10 H17 K2 N O8 S2P n m a8.2498; 22.5592; 8.7439
90; 90; 90
1627.32Cardona, 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 CIFC10 H20 Bi I N2 S4P 1 21/c 111.845; 18.266; 8.659
90; 106.904; 90
1792.5Arda, 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 CIFC10 H22 N Na O7 S2C 1 2/c 129.6781; 10.9086; 9.8067
90; 104.142; 90
3078.7Hosseini-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 CIFC10 H28 Dy N2 Na O16F d d 235.4573; 19.4184; 12.0642
90; 90; 90
8306.5Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee
Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks
RSC Advances, 2016, 6, 72510
7236232 CIFC10 H28 Eu N2 Na O16F d d 235.4574; 19.4184; 12.0642
90; 90; 90
8306.5Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee
Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks
RSC Advances, 2016, 6, 72510
7236254 CIFC10 H28 Li N O9 S2C 1 c 114.437; 15.0453; 9.43
90; 122.287; 90
1731.6Hosseini-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 CIFC10 H28 N2 Na O16 TbF d d 235.306; 19.2934; 12.0542
90; 90; 90
8211Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee
Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks
RSC Advances, 2016, 6, 72510
7236230 CIFC10 H28 N2 Na O16 YF d d 219.2891; 35.214; 12.0446
90; 90; 90
8181.3Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee
Enchaining EDTA-chelated lanthanide molecular magnets into ordered 1D networks
RSC Advances, 2016, 6, 72510
7226180 CIFC11 H14 O3 SP 21 21 217.7606; 10.8844; 12.686
90; 90; 90
1071.58Mangalum, 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 CIFC11 H15 N2 O4P 1 21/c 19.0364; 18.7601; 7.32887
90; 105.84; 90
1195.24Udagawa, 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 CIFC11 H23 N O5 PP 1 21/c 110.3979; 13.6246; 13.7301
90; 130.745; 90
1473.65Audran, 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 CIFC11 H8 Cl4 O3P -16.5579; 7.6349; 15.6331
84.549; 86.322; 78.859
763.67Zeng, 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 CIFC112 H174 Na6 Ni4 O42 Si12P -114.7272; 15.6359; 16.932
113.914; 96.98; 95.989
3486.8Anisimov, 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 CIFC113 H84 N10 O6 P4 Ru2P -19.5781; 20.6594; 25.4364
109.328; 94.237; 101.367
4603.5Shen, 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 CIFC12 H10 O4 S2P -13.9254; 6.0049; 13.818
77.96; 88.838; 72.527
303.54Muthumari, Subramanian; Ramesh, Rengan
Highly efficient palladium(ii) hydrazone based catalysts for the Suzuki coupling reaction in aqueous medium
RSC Adv., 2016, 6, 52101
7236188 CIFC12 H12 Cu N2 O6 SI 1 2/c 17.0081; 13.8198; 14.2897
90; 99.282; 90
1365.84Kamath, 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 CIFC12 H14 Br N O5P 21 21 215.837; 9.2077; 25.6068
90; 90; 90
1376.25Lin, 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 CIFC12 H20 B F7 N2 SP 1 21/n 17.926; 15.738; 13.422
90; 100.404; 90
1646.7Mizuta, 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 CIFC12 H40 Ge2 N8 O2 S6 V2R -3 c :H38.284; 38.284; 11.17
90; 90; 120
14178Qian, 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 CIFC12 H9 Br N2 OP 1 21/n 14.5103; 19.8005; 12.1942
90; 95.592; 90
1083.83Safin, 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 CIFC12 H9 Br N2 OP c a 216.1946; 7.0152; 25.1
90; 90; 90
1090.75Safin, 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 CIFC12 H9 N5 O8P 1 21/n 114.29; 7.43; 14.697
90; 116.638; 90
1394.8Jauhar, 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 CIFC120 H92 Cl4 N14 O2 Rh2P -112.499; 14.522; 14.653
92.88; 101.13; 109.11
2447.3Xue, 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 CIFC129 H210 O24 Si24P -118.511; 19.755; 26.771
71.01; 88.51; 62.94
8157Anisimov, 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 CIFC13 H11 N3 SeR -3 :H31.935; 31.935; 6.3894
90; 90; 120
5643.2Sharma, 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 CIFC13 H12 N2 OP n a 219.1004; 10.5785; 11.775
90; 90; 90
1133.6Singh, 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 CIFC13 H14 B Cl N4 O4P -17.51; 9.471; 11.878
85.63; 79.47; 68.96
775.2TalwelkarShimpi, 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 CIFC13 H14 B I N4 O4P -17.475; 9.623; 11.957
87.25; 80.94; 71.63
806.1TalwelkarShimpi, 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 CIFC13 H15 B N4 O5P 1 21/c 112.858; 8.2154; 14.199
90; 98.03; 90
1485.2TalwelkarShimpi, 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 CIFC13 H17 Hg N S2P 1 21/n 18.799; 15.123; 11.633
90; 108.238; 90
1470.2Bharty, 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 CIFC13 H21 I2 Mn N3 O2P 1 21/n 114.6223; 16.5304; 15.2077
90; 98.781; 90
3632.8Drahoš, 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 CIFC13 H21 Mn N9 O2P 1 21/n 19.8283; 12.8416; 13.4703
90; 100.3; 90
1672.7Drahoš, 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 CIFC13 H22 N2 O2P 1 21/c 112.976; 9.0107; 12.2487
90; 102.498; 90
1398.22Kim, 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 TiO moieties and its application as a catalyst for the cycloaddition reaction of CO2to epoxides
RSC Adv., 2016, 6, 97800
7224666 CIFC13 H72 As2 K7 N3 Na10 O115 Sn4 W22P -111.9822; 22.5; 25.497
69.912; 82.904; 86.609
6405.3Ji, 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 CIFC14 H11 N O4P 1 21/c 18.093; 13.179; 11.412
90; 91.431; 90
1216.8Vaz, 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 CIFC14 H12 N2 O4P 1 21/c 18.9865; 9.5514; 14.1428
90; 90.203; 90
1213.92Sutradhar, 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 CIFC14 H15 Cl2 N O4P 1 21/c 114.5283; 6.1794; 17.9542
90; 101.022; 90
1582.13Sharma, 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 CIFC14 H16 Cl N OP 21 21 217.6652; 7.8614; 20.6346
90; 90; 90
1243.42Lin, 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 CIFC14 H16 N2 O4P 21 21 2110.0012; 10.368; 12.5874
90; 90; 90
1305.2Nazarian, 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 CIFC14 H18 Br Cl N4 O8P 18.1185; 8.2996; 8.8998
100.911; 106.931; 117.952
467.58Spaniol, Jacqueline M.; Wheeler, Kraig A.
Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition
RSC Adv., 2016, 6, 64921
7226951 CIFC14 H18 O4 PdP -17.2285; 7.6427; 7.6586
62.479; 67.121; 63.114
325.9Assim, 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 CIFC14 H2 N3 O5P -16.9555; 9.2797; 11.0293
97.828; 99.815; 100.154
680.26Oruganti, 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 CIFC14 H24 Cu N2 S4P 1 21/c 18.4525; 18.6204; 12.1412
90; 106.579; 90
1831.45Bharty, 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 CIFC14 H24 N2 S4P 1 21/c 112.7159; 6.4218; 22.3157
90; 104.133; 90
1767.1Bharty, 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 CIFC14 H25 Cl N2 Se SnP 1 21/c 19.192; 12.655; 15.99
90; 92.278; 90
1858.6Tyagi, 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 CIFC140 H228 Cl O144 S20 Yb7P -115.3316; 19.0247; 21.5272
78.723; 71.13; 73.949
5670.9Ling, 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 CIFC15 H10 B F2 N O2P 1 21/n 17.1854; 12.877; 13.705
90; 93.63; 90
1265.5Zhang, 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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