Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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7226497 | CIF | C15 H12 Cl2 O3 | P b c a | 7.1786; 20.0394; 20.1954 90; 90; 90 | 2905.2 | 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 |
7226401 | CIF | C15 H13 N3 O4 S | P 1 21/c 1 | 7.034; 14.9894; 13.8939 90; 96.387; 90 | 1455.82 | Du, Jonathan J.; Váradi, Linda; Williams, Peter A.; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E. An analysis of the experimental and theoretical charge density distributions of the piroxicam‒saccharin co-crystal and its constituents RSC Adv., 2016, 6, 81578 |
7226202 | CIF | C15 H14 O5 | P 1 21/n 1 | 3.8416; 25.1212; 12.9636 90; 92.567; 90 | 1249.8 | Rao, Maddali L. N.; Ramakrishna, Boddu S. Rh-catalyzed direct synthesis of 2,2′-dihydroxybenzophenones and xanthones RSC Adv., 2016, 6, 75505 |
7236257 | CIF | C15 H15 Cl F N O3 | P 1 21/n 1 | 10.3931; 11.4141; 12.5948 90; 100.798; 90 | 1467.64 | 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 |
7226069 | CIF | C15 H16 N O P S3 | P 1 21/n 1 | 7.4515; 11.579; 19.631 90; 97.168; 90 | 1680.5 | Groves, Brandon R.; Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison Thionation reactions of 2-pyrrole carboxylates RSC Adv., 2016, 6, 69691 |
7236260 | CIF | C15 H18 Cl N O4 | P 21 21 21 | 6.2728; 9.4396; 26.241 90; 90; 90 | 1553.8 | 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 |
7226071 | CIF | C15 H19 B F2 N2 | P 1 21/n 1 | 7.2351; 16.6785; 11.8701 90; 98.682; 90 | 1416 | Groves, Brandon R.; Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison Thionation reactions of 2-pyrrole carboxylates RSC Adv., 2016, 6, 69691 |
7224892 | CIF | C15 H21 Mn N5 O2 S2 | P 1 | 10.1382; 11.3567; 14.0782 103.348; 110.85; 101.57 | 1400.79 | 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 |
7225035 | CIF | C15 H21 N O2 | P 1 21 1 | 12.3508; 12.2285; 17.9527 90; 94.4756; 90 | 2703.16 | Zhang, Li-Hua; Feng, Bao-Min; Chen, Gang; Li, Sheng-Ge; Sun, Yi; Wu, Hong-Hua; Bai, Jiao; Hua, Hui-Ming; Wang, Hai-Feng; Pei, Yue-Hu Sporulaminals A and B: a pair of unusual epimeric spiroaminal derivatives from a marine-derived fungus Paraconiothyrium sporulosum YK-03 RSC Adv., 2016, 6, 42361 |
7226953 | CIF | C15 H25 O2.5 Pd | C 1 2/c 1 | 24.443; 5.4443; 23.838 90; 111.49; 90 | 2951.7 | 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 |
7226580 | CIF | C15 H26 N2 S4 | P -1 | 8.8763; 10.0172; 11.405 87.26; 74.873; 76.569 | 952.1 | 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 |
7236270 | CIF | C15 H5 Cl4 N2 O3 Re | P 1 21/c 1 | 6.6848; 20.9252; 12.6551 90; 100.71; 90 | 1739.4 | Świtlicka, Anna; Klemens, Tomasz; Machura, Barbara; Schab-Balcerzak, Ewa; Laba, Katarzyna; Lapkowski, Mieczyslaw; Grucela, Marzena; Nycz, Jacek; Szala, Marcin; Kania, Magdalena Rhenium(i) complexes with phenanthrolines bearing electron-withdrawing Cl and electron-donating CH3 substituents ‒ synthesis, photophysical, thermal, and electrochemical properties with electroluminescence ability RSC Advances, 2016, 6, 112908 |
7236190 | CIF | C16 H12 B F2 N O3 | P 1 21/n 1 | 7.7022; 8.6623; 21.644 90; 99.29; 90 | 1425.1 | 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 |
7236191 | CIF | C16 H12 B F2 N O3 | P 1 21/n 1 | 7.1557; 8.6916; 22.455 90; 92.46; 90 | 1395.3 | 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 |
7236192 | CIF | C16 H12 B F2 N O3 | P 1 21/n 1 | 7.1368; 15.475; 13.122 90; 103.1; 90 | 1411.5 | 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 |
7226612 | CIF | C16 H12 Cl N O2 S | C 1 c 1 | 23.6442; 4.2788; 14.2732 90; 90.614; 90 | 1443.92 | Parthiban, C.; Ciattini, Samuele; Chelazzi, Laura; Elango, Kuppanagounder P. Selective colorimetric sensing of fluoride in an aqueous solution by amino-naphthoquinone and its Co(ii), Ni(ii), Cu(ii) and Zn(ii) complexes ‒ effect of complex formation on sensing behaviour RSC Adv., 2016, 6, 91265 |
7236252 | CIF | C16 H13 B F2 N2 O2 | P 1 21/c 1 | 10.1732; 7.3747; 19.0117 90; 94.747; 90 | 1421.4 | Mtiraoui, Hasan; Gharbi, Rafik; Msaddek, Moncef; Bretonnière, Yann; Andraud, Chantal; Renard, Pierre-Yves; Sabot, Cyrille Solution and solid-state fluorescence of 2-(2′-hydroxyphenyl)-1,5-benzodiazepin-2-one (HBD) borate complexes RSC Advances, 2016, 6, 86352 |
7226398 | CIF | C16 H15 N O5 | P 1 21/c 1 | 8.3195; 13.6469; 12.8427 90; 90; 90 | 1458.1 | Bautista Maezono, Shizuka Mei; Poudel, Tej Narayan; Xia, Likai; Lee, Yong Rok A green synthetic approach to synthesizing diverse 2-pyridones for their exceptional UV shielding functions RSC Adv., 2016, 6, 82321 |
7223607 | CIF | C16 H16 N2 O5 | P -1 | 7.3305; 10.614; 11.3269 67.359; 80.119; 81.565 | 798.16 | da Silva, Michael J. V.; Silva, Raí G. M.; Melo, Ulisses Z.; Gonçalves, Davana S.; Back, Davi F.; Moura, Sidnei; Pontes, Rodrigo M.; Basso, Ernani A.; Gauze, Gisele F.; Rosa, Fernanda A. Theoretical and experimental investigation of the polyeletrophilic β-enamino diketone: straightforward and highly regioselective synthesis of 1,4,5-trisubstituted pyrazoles and pyrazolo[3,4-d]pyridazinones RSC Adv., 2016, 6, 290 |
7224164 | CIF | C16 H17 N3 O5 | P 1 21/c 1 | 15.2726; 11.581; 9.1189 90; 95.023; 90 | 1606.68 | 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 |
7225172 | CIF | C16 H17 O6.5 | P 1 21 1 | 7.0996; 17.4669; 11.5838 90; 96.25; 90 | 1427.95 | Luo, Qi; Di, Lei; Yang, Xiao-Hua; Cheng, Yong-Xian Applanatumols A and B, meroterpenoids with unprecedented skeletons from Ganoderma applanatum RSC Adv., 2016, 6, 45963 |
7224166 | CIF | C16 H18 N4 O3 | P 1 21/c 1 | 8.7707; 20.4025; 9.1687 90; 100.514; 90 | 1613.14 | 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 |
7236259 | CIF | C16 H21 N O6 | P 1 21/c 1 | 4.5426; 16.585; 22.273 90; 92.979; 90 | 1675.8 | 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 |
7226952 | CIF | C16 H22 O4 Pd | P b c a | 14.4316; 6.5451; 15.6537 90; 90; 90 | 1478.59 | 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 |
7224981 | CIF | C16 H28 N6 | P -1 | 6.912; 8.356; 8.844 110.9; 97.94; 111.5 | 422.2 | Hornung, Julius; Hübner, Olaf; Kaifer, Elisabeth; Himmel, Hans-Jörg Bent and twisted: the electronic structure of 2-azapropenylium ions obtained by guanidine oxidation RSC Adv., 2016, 6, 39323 |
7236206 | CIF | C16 H8 S3 | C 1 2/c 1 | 15.042; 11.404; 32.856 90; 95.094; 90 | 5614 | Huang, Wei; Zhu, Haoyun; Huang, Yuli; Yang, Junwei; Wang, Weizhi Controllable synthesis of conjugated thio-phenylethyne-based compounds with different chain lengths RSC Advances, 2016, 6, 40343 |
7236271 | CIF | C17 H10 Cl2 N3 O3 Re | P -1 | 8.3105; 9.7851; 12.3202 84.319; 85.261; 67.529 | 920.16 | Świtlicka, Anna; Klemens, Tomasz; Machura, Barbara; Schab-Balcerzak, Ewa; Laba, Katarzyna; Lapkowski, Mieczyslaw; Grucela, Marzena; Nycz, Jacek; Szala, Marcin; Kania, Magdalena Rhenium(i) complexes with phenanthrolines bearing electron-withdrawing Cl and electron-donating CH3 substituents ‒ synthesis, photophysical, thermal, and electrochemical properties with electroluminescence ability RSC Advances, 2016, 6, 112908 |
7236043 | CIF | C17 H13 F3 N4 O | P -1 | 14.1362; 14.3909; 18.0057 66.933; 67.968; 89.57 | 3081.9 | Sosnovskikh, Vyacheslav Y.; Safrygin, Alexander V.; Irgashev, Roman A.; Ezhikova, Marina A.; Kodess, Mikhail I. Synthesis of 4-arylamino-3-(trifluoromethyl)pyridazines and pyridazino[3,4-b]quinoxalines (as by-products) from 3-aroylmethyl-2-(trifluoromethyl)quinoxalines and hydrazine hydrate RSC Advances, 2016, 6, 30056 |
7236193 | CIF | C17 H14 B F2 N O4 | P 1 21/n 1 | 8.6901; 8.0756; 22.705 90; 100.06; 90 | 1568.9 | 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 |
7236194 | CIF | C17 H14 B F2 N O4 | P 1 21/c 1 | 7.7008; 11.481; 18.166 90; 104.52; 90 | 1554.8 | 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 |
7236234 | CIF | C17 H18 O3 | P 1 21/c 1 | 11.954; 9.278; 12.604 90; 93.422; 90 | 1395.4 | Hu, Jiadong; Xu, Dongyang; Zhang, Qiang; Shang, Yang; Shi, Mumin; Huangfu, Yucui; Liu, Leilei; Rong liang, Rong liang; Lai, Yisheng; He, Yupeng; Gao, Jin-ming; Xie, Weiqing Tandem allylic alcohol isomerization/oxo-Michael addition reaction promoted by Re2O7 RSC Advances, 2016, 6, 52583 |
7236245 | CIF | C17 H24 N4 O2 S2 | P 1 21/c 1 | 8.4757; 23.0572; 9.7935 90; 103.534; 90 | 1860.8 | Leeza Zaidi, Saadia; Agarwal, Subhash M.; Chavalitshewinkoon-Petmitr, Porntip; Suksangpleng, Thidarat; Ahmad, Kamal; Avecilla, Fernando; Azam, Amir Thienopyrimidine sulphonamide hybrids: design, synthesis, antiprotozoal activity and molecular docking studies RSC Advances, 2016, 6, 90371 |
7227171 | CIF | C17.05 H16.14 I N O S | P 1 21/c 1 | 7.4292; 10.7679; 20.5682 90; 90; 90 | 1645.39 | Mekhzoum, M. E. M.; Essassi, E. M.; Qaiss, A.; Bouhfid, R. Fluorescent bio-nanocomposites based on chitosan reinforced hemicyanine dye-modified montmorillonite RSC Adv., 2016, 6, 111472 |
7226965 | CIF | C179 H236 Cl2 O135 S20 Yb4.67 | P -1 | 17.214; 18.887; 20.574 77.93; 70.96; 75.49 | 6062 | 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 |
7223991 | CIF | C18 H10 N4 | C 1 2/c 1 | 22.8914; 5.7531; 23.238 90; 113.464; 90 | 2807.3 | Bhowmick, Sourav; Chakraborty, Sourav; Marri, Subba R.; Behera, J. N.; Das, Neeladri Pyrazine-based donor tectons: synthesis, self-assembly and characterization RSC Adv., 2016, 6, 8992 |
7224681 | CIF | C18 H12 Cl F3 O3 | P 21 21 21 | 7.997; 11.806; 17.95 90; 90; 90 | 1694.7 | He, Xiang-Hong; Yang, Lei; Huang, Wei; Zhao, Qian; Pan, Xiao-Li; Jiang, Dao-Feng; Yang, Ming-Cheng; Peng, Cheng; Han, Bo Catalytic cross-benzoin/Michael/acetalization cascade for asymmetric synthesis of trifluoromethylated γ-butyrolactones RSC Adv., 2016, 6, 28960 |
7236269 | CIF | C18 H12 Cl3 N2 O3 Re | P 1 21/n 1 | 10.8752; 32.4799; 10.9891 90; 98.199; 90 | 3842 | Świtlicka, Anna; Klemens, Tomasz; Machura, Barbara; Schab-Balcerzak, Ewa; Laba, Katarzyna; Lapkowski, Mieczyslaw; Grucela, Marzena; Nycz, Jacek; Szala, Marcin; Kania, Magdalena Rhenium(i) complexes with phenanthrolines bearing electron-withdrawing Cl and electron-donating CH3 substituents ‒ synthesis, photophysical, thermal, and electrochemical properties with electroluminescence ability RSC Advances, 2016, 6, 112908 |
7226518 | CIF | C18 H14 B F2 N O S | P b c a | 10.661; 11.234; 25.712 90; 90; 90 | 3079.4 | Shanmugapriya, Jayabalan; Rajaguru, Kandasamy; Sivaraman, Gandhi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai Boranil dye based “turn-on” fluorescent probes for detection of hydrogen peroxide and their cell imaging application RSC Adv., 2016, 6, 85838 |
7224752 | CIF | C18 H17 N3 O4 | P -1 | 12.0002; 12.0002; 24.7801 93.67; 93.67; 103.706 | 3448.2 | Sharma, Pankaj; Gupta, Monika; Kant, Rajni; Gupta, Vivek K. One-pot synthesis of various 2-amino-4H-chromene derivatives using a highly active supported ionic liquid catalyst RSC Adv., 2016, 6, 32052 |
7227087 | CIF | C18 H18 Cl N O | P -1 | 5.8282; 10.3586; 13.2061 77.465; 86.009; 76.595 | 756.91 | Young, Jonathon; Schäfer, Christian; Solan, Agnes; Baldrica, Anthony; Belcher, Miranda; Nişanci, Bilal; Wheeler, Kraig A.; R. Trivedi, Evan; Török, Béla; Dembinski, Roman Regioselective “hydroamination” of alk-3-ynones with non-symmetrical o-phenylenediamines. Synthesis of diversely substituted 3H-1,5-benzodiazepines via (Z)-3-amino-2-alkenones RSC Adv., 2016, 6, 107081 |
7227172 | CIF | C18 H18 I N O S | P -1 | 7.7022; 10.3394; 11.3339 97.09; 99.284; 91.95 | 882.61 | Mekhzoum, M. E. M.; Essassi, E. M.; Qaiss, A.; Bouhfid, R. Fluorescent bio-nanocomposites based on chitosan reinforced hemicyanine dye-modified montmorillonite RSC Adv., 2016, 6, 111472 |
7224852 | CIF | C18 H20 Ag2 N10 O6.25 | C 1 2/c 1 | 22.5787; 9.4591; 12.7032 90; 118.015; 90 | 2395.2 | Ding, Bin; Guo, Chao; Liu, Shi Xin; Cheng, Yue; Wu, Xiang Xia; Su, Xiu Mei; Liu, Yuan Yuan; Li, Yan A unique multi-functional cationic luminescent metal‒organic nanotube for highly sensitive detection of dichromate and selective high capacity adsorption of Congo red RSC Adv., 2016, 6, 33888 |
7236272 | CIF | C18 H20 N5 O14 Y Zn | P 1 21/n 1 | 7.8023; 19.2183; 16.1293 90; 91.994; 90 | 2417.07 | Long, Jérôme; Mamontova, Ekaterina; Freitas, Vania; Luneau, Dominique; Vieru, Veacheslav; Chibotaru, Liviu F.; Ferreira, Rute A. S.; Félix, Gautier; Guari, Yannick; Carlos, Luis D.; Larionova, Joulia Study of the influence of magnetic dilution over relaxation processes in a Zn/Dy single-ion magnet by correlation between luminescence and magnetism RSC Advances, 2016, 6, 108810 |
7223771 | CIF | C18 H22 K N O5 S | P 1 21/c 1 | 23.671; 8.6038; 9.53 90; 99.236; 90 | 1915.7 | Cardona, Maria A.; Mallia, Carl J.; Baisch, Ulrich; Magri, David C. Water-soluble amino(ethanesulfonate) and [bis(ethanesulfonate)] anthracenes as fluorescent photoinduced electron transfer (PET) pH indicators and Fe3+chemosensors RSC Adv., 2016, 6, 3783 |
7224546 | CIF | C18 H24 Cl Cu N5 O4 S | C 1 2/c 1 | 24.526; 10.497; 16.882 90; 95.056; 90 | 4329 | 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 |
7224162 | CIF | C183 H190 N24 O64 S8 | C 1 2/c 1 | 21.5619; 11.3649; 18.9777 90; 93.367; 90 | 4642.4 | Lega, Dmitry A.; Gorobets, Nikolay Yu.; Chernykh, Valentine P.; Shishkina, Svetlana V.; Shemchuk, Leonid A. Peculiarities of 2-amino-3-R-4-aryl-4H-pyranes multicomponent synthesis derived from 1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide RSC Adv., 2016, 6, 16087 |
7226490 | CIF | C185 H183.72 N15 O39 | P 1 21/c 1 | 24.9088; 7.7954; 22.8886 90; 103.302; 90 | 4325.1 | Liang, Lijuan; Zhao, Liancheng; Zeng, Xianshun Synthesis, optical, and chemical properties of a π-extended rhodol derivative and its derivatives with selectivity and sensitivity for sensing Hg2+in aqueous media RSC Adv., 2016, 6, 85165 |
7225591 | CIF | C19 H12 F N3 | P 1 21/n 1 | 12.6875; 6.8467; 33.0184 90; 95.813; 90 | 2853.48 | Harsha, Kachigere B.; Rangappa, Kanchugarkoppal S. One-step approach for the synthesis of functionalized quinoxalines mediated by T3P®‒DMSO or T3P® via a tandem oxidation‒condensation or condensation reaction RSC Adv., 2016, 6, 57154 |
7236253 | CIF | C19 H14 N2 | P 21 21 21 | 7.9203; 10.4738; 16.8627 90; 90; 90 | 1398.86 | Chen, Zhengwang; Wen, Yuelu; Luo, Guotian; Ye, Min; Wang, Qinghao Transition-metal-free C‒C bond cleavage and formation: efficient synthesis of 2,3-diarylimidazo[1,2-α]pyridines from 2-aminopyridines and alkynoates RSC Advances, 2016, 6, 86464 |
7225342 | CIF | C19 H15 O P | P b c a | 10.1947; 8.73; 34.4274 90; 90; 90 | 3064 | Xue, Pengchong; Wang, Panpan; Chen, Peng; Ding, Jipeng; Lu, Ran Enhanced room-temperature phosphorescence of triphenylphosphine derivatives without metal and heavy atoms in their crystal phase RSC Adv., 2016, 6, 51683 |
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