Crystallography Open Database
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Searching space group like 'I 2 3'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9011269 | CIF | Bi12.672 O19.32 Zn0.33 | I 2 3 | 10.207; 10.207; 10.207 90; 90; 90 | 1063.39 | Radaev, S. F.; Muradyan, L. A.; Simonov, V. I. Atomic structure and crystal chemistry of sillenites: Bi12(Bi3+0.50Fe3+0.50)O19.50 and Bi12(Bi3+0.50Fe3+0.50)O19.33 Note: anisoB's from ICSD Note: z(Bi) corrected Acta Crystallographica, Section B, 1991, 47, 1-6 |
| 9011268 | CIF | Bi12.5 Fe0.5 O19.48 | I 2 3 | 10.184; 10.184; 10.184 90; 90; 90 | 1056.22 | Radaev, S. F.; Muradyan, L. A.; Simonov, V. I. Atomic structure and crystal chemistry of sillenites: Bi12(Bi3+0.50Fe3+0.50)O19.50 and Bi12(Bi3+0.50Fe3+0.50)O19.33 Note: anisoB's from ICSD Acta Crystallographica, Section B, 1991, 47, 1-6 |
| 9011117 | CIF | Ag5 Hg7.55 | I 2 3 | 10.0506; 10.0506; 10.0506 90; 90; 90 | 1015.26 | Fairhurst, C. W.; Cohen, J. B. The crystal structure of two compounds found in dental amalgam: Ag2Hg3 and Ag3Sn Acta Crystallographica, Section B, 1972, 28, 371-378 |
| 9001252 | CIF | Be6 Ca1.374 H34 K0.3 Li2.9 Na0.048 O33.5 P6 | I 2 3 | 13.781; 13.781; 13.781 90; 90; 90 | 2617.23 | Rouse, R. C.; Peacor, D. R.; Merlino, S. Crystal structure of pahasapaite, a beryllophosphate mineral with a distorted zeolite rho framework American Mineralogist, 1989, 74, 1195-1202 |
| 8103960 | CIF | Ge7 K2.235 O19.25 | I 2 3 | 15.418; 15.418; 15.418 90; 90; 90 | 3665.09 | Bialek, R.; Gramlich, V. The superstructure of K3HGe7O16 * 4H2O Zeitschrift fuer Kristallographie (149,1979-), 1992, 198, 67-77 |
| 7709581 | CIF | C416.3 H662.05 Cl Mn6 Mo36 N86.22 Na16 O250.36 | I 2 3 | 30.9645; 30.9645; 30.9645 90; 90; 90 | 29689 | Guan, Weiming; Li, Bao; Wu, Lixin Chiral hexamers of organically modified polyoxometalates via ionic complexation Dalton Transactions, 2022 |
| 7709579 | CIF | C407.5 H621.85 Cl Mn6 Mo36 N81.95 Na16 O236.9 | I 2 3 | 30.8142; 30.8142; 30.8142 90; 90; 90 | 29258.5 | Guan, Weiming; Li, Bao; Wu, Lixin Chiral hexamers of organically modified polyoxometalates via ionic complexation Dalton Transactions, 2022 |
| 7702636 | CIF | C18 H48 Br3 F6 P7 Se4 W3 | I 2 3 | 21.0599; 21.0599; 21.0599 90; 90; 90 | 9340.5 | Llusar, Rosa; Uriel, Santiago; Vicent, Cristian Transition metal incorporation into seleno-bridged cubane type clusters of molybdenum and tungsten. X-Ray crystal structures of the first [Mo3CuSe4] derivatives† Journal of the Chemical Society, Dalton Transactions, 2001, 2813 |
| 7702635 | CIF | C18 H48 Cl3 F6 Mo3 P7 Se4 | I 2 3 | 20.9212; 20.9212; 20.9212 90; 90; 90 | 9157.1 | Llusar, Rosa; Uriel, Santiago; Vicent, Cristian Transition metal incorporation into seleno-bridged cubane type clusters of molybdenum and tungsten. X-Ray crystal structures of the first [Mo3CuSe4] derivatives† Journal of the Chemical Society, Dalton Transactions, 2001, 2813 |
| 7700059 | CIF | C110 H122 F12 N10 P6 Ru4 | I 2 3 | 32.2832; 32.2832; 32.2832 90; 90; 90 | 33646 | Su, Shao-Dong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Yang, Yu-Ying; Wen, Yue-Hong; Wu, Xin-Tao; Yang, Song-Qiu; Sheng, Tian-Lu The MMCT excited state of a localized mixed valence cyanido-bridged Ru<sup>II</sup>-Ru-Ru<sup>II</sup> complex. Dalton transactions (Cambridge, England : 2003), 2019, 48, 9303-9309 |
| 7241823 | CIF | C114 H135 Cu12 N24 O36 | I 2 3 | 36.336; 36.336; 36.336 90; 90; 90 | 47975 | Dinca, Alina S.; Dogaru, Andreea; Ion, Adrian E.; Nica, Simona; Dumitrescu, Dan; Shova, Sergiu; Lloret, Francesc; Julve, Miguel; Andruh, Marius An original 3D coordination polymer constructed from trinuclear nodes and tetracarboxylato spacers CrystEngComm, 2021, 23, 1332-1335 |
| 7228257 | CIF | Cu2.667 Li2.667 Nb8 O24 | I 2 3 | 7.5286; 7.5286; 7.5286 90; 90; 90 | 426.72 | Mineo Sato; Yoshiki Hama Structure of new perovskite-related compounds, LiCuM3O9 (M = Nb, Ta) Journal of Materials Chemistry, 1993, 3, 233-236 |
| 7208283 | CIF | C118 H189 N17 O53 Zn9 | I 2 3 | 23.461; 23.461; 23.461 90; 90; 90 | 12913 | Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks CrystEngComm, 2012, 14, 5596 |
| 7202279 | CIF | C8 H15 N3 O2.5 S Sn | I 2 3 | 20.1191; 20.1191; 20.1191 90; 90; 90 | 8143.8 | Kovala-Demertzi, Dimitra; Wiecek, Joanna; Plakatouras, John C.; Ciunik, Zbigniew Self-assembly of dialkyltin(IV) moieties and a thiosemicarbone to a trinuclear macrocycle and the unprecedented formation of two pseudo-polymorphs with different cavities CrystEngComm, 2008, 10, 1291 |
| 7154286 | CIF | C48 H78 O86.066 S2 | I 2 3 | 29.9748; 29.9748; 29.9748 90; 90; 90 | 26932 | Volkov, Sergey; Kumprecht, Lukáš; Buděšínský, Miloš; Lepšík, Martin; Dušek, Michal; Kraus, Tomáš A γ-cyclodextrin duplex connected with two disulfide bonds: synthesis, structure and inclusion complexes. Organic & biomolecular chemistry, 2015, 13, 2980-2985 |
| 7134003 | CIF | C141 H183 Co3 Lu3 N12 O36 P9 | I 2 3 | 35.451; 35.451; 35.451 90; 90; 90 | 44554 | Liu, Yi-Fu; Gil-Ramírez, Guzmán; Nakamura, Takashi Synthesis of Macrocyclic Salen Rare-Earth Complexes and Their Framework Conversion Regulated by Coordination Sphere Engineering Chemical Communications, 2024 |
| 7124933 | CIF | C192 H240 Cl4 N36 Ni4 O16 | I 2 3 | 23.4359; 23.4359; 23.4359 90; 90; 90 | 12872 | Xi, Sai-Fei; Bao, Ling-Yu; Lin, Jian-Guo; Liu, Qing-Zhu; Qiu, Ling; Zhang, Feng-Li; Wang, Yu-Xia; Ding, Zheng-Dong; Li, Ke; Gu, Zhi-Guo Enantiomers of tetrahedral metal-organic cages: a new class of highly efficient G-quadruplex ligands with potential anticancer activities. Chemical communications (Cambridge, England), 2016, 52, 10261-10264 |
| 7124932 | CIF | C192 H240 Cl4 N36 Ni4 O16 | I 2 3 | 23.432; 23.432; 23.432 90; 90; 90 | 12865.5 | Xi, Sai-Fei; Bao, Ling-Yu; Lin, Jian-Guo; Liu, Qing-Zhu; Qiu, Ling; Zhang, Feng-Li; Wang, Yu-Xia; Ding, Zheng-Dong; Li, Ke; Gu, Zhi-Guo Enantiomers of tetrahedral metal-organic cages: a new class of highly efficient G-quadruplex ligands with potential anticancer activities. Chemical communications (Cambridge, England), 2016, 52, 10261-10264 |
| 7122137 | CIF | C54 H48.67 B2.67 Co1.33 Er N18 O10 | I 2 3 | 20.9076; 20.9076; 20.9076 90; 90; 90 | 9139.3 | Alexandropoulos, Dimitris I.; Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R. Slow magnetic dynamics in a family of mononuclear lanthanide complexes exhibiting the rare cubic coordination geometry. Chemical communications (Cambridge, England), 2018, 54, 10136-10139 |
| 7122136 | CIF | C54 H48.67 B2.67 Co1.33 N18 O10 Y | I 2 3 | 20.9091; 20.9091; 20.9091 90; 90; 90 | 9141.3 | Alexandropoulos, Dimitris I.; Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R. Slow magnetic dynamics in a family of mononuclear lanthanide complexes exhibiting the rare cubic coordination geometry. Chemical communications (Cambridge, England), 2018, 54, 10136-10139 |
| 7122135 | CIF | C54 H48.67 B2.67 Co1.33 N18 O10 Tb | I 2 3 | 20.9135; 20.9135; 20.9135 90; 90; 90 | 9147 | Alexandropoulos, Dimitris I.; Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R. Slow magnetic dynamics in a family of mononuclear lanthanide complexes exhibiting the rare cubic coordination geometry. Chemical communications (Cambridge, England), 2018, 54, 10136-10139 |
| 7122134 | CIF | C54 H48.67 B2.67 Co1.33 Dy N18 O10 | I 2 3 | 20.9059; 20.9059; 20.9059 90; 90; 90 | 9137.1 | Alexandropoulos, Dimitris I.; Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R. Slow magnetic dynamics in a family of mononuclear lanthanide complexes exhibiting the rare cubic coordination geometry. Chemical communications (Cambridge, England), 2018, 54, 10136-10139 |
| 7121964 | CIF | C228 H240 N36 Ni4 | I 2 3 | 23.8389; 23.8389; 23.8389 90; 90; 90 | 13547.5 | Bao, Ling-Yu; Hao, Si-Jia; Xi, Sai-Fei; Yan, Xiaodong; Zhang, Hai-Xia; Shen, Rui; Gu, Zhi-Guo Chiral supramolecular coordination cages as high-performance inhibitors against amyloid-β aggregation. Chemical communications (Cambridge, England), 2018, 54, 8725-8728 |
| 7121963 | CIF | C216 H216 Cl5 N36 Ni4 O20 | I 2 3 | 22.4671; 22.4671; 22.4671 90; 90; 90 | 11340.7 | Bao, Ling-Yu; Hao, Si-Jia; Xi, Sai-Fei; Yan, Xiaodong; Zhang, Hai-Xia; Shen, Rui; Gu, Zhi-Guo Chiral supramolecular coordination cages as high-performance inhibitors against amyloid-β aggregation. Chemical communications (Cambridge, England), 2018, 54, 8725-8728 |
| 7118832 | CIF | C192 H240 B4 F16 Fe0.8 N36 Ni3.2 | I 2 3 | 23.2506; 23.2506; 23.2506 90; 90; 90 | 12569.1 | Zhang, Feng-Li; Chen, Jia-Qian; Qin, Long-Fang; Tian, Lei; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo Metal-center exchange of tetrahedral cages: single crystal to single crystal and spin-crossover properties. Chemical communications (Cambridge, England), 2016, 52, 4796-4799 |
| 7118831 | CIF | C192 H240 B4 F16 N36 Ni4 | I 2 3 | 23.2474; 23.2474; 23.2474 90; 90; 90 | 12563.9 | Zhang, Feng-Li; Chen, Jia-Qian; Qin, Long-Fang; Tian, Lei; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo Metal-center exchange of tetrahedral cages: single crystal to single crystal and spin-crossover properties. Chemical communications (Cambridge, England), 2016, 52, 4796-4799 |
| 7117756 | CIF | C54 H18 N0 O41 Zn9 | I 2 3 | 23.503; 23.503; 23.503 90; 90; 90 | 12983 | Yun-Wu Li; Jian Xu; Da-Cheng Li; Jian-Min Dou; Hui Yan; Tong-Liang Hu; Xian-He Bu Two microporous MOFs constructed from different metal cluster SBUs for selective gas adsorption Chem.Commun., 2015, 51, 14211 |
| 7116546 | CIF | C144 H132 K N2 Nb2 O4 | I 2 3 | 46.878; 46.878; 46.878 90; 90; 90 | 103017 | Keith Searles; Patrick J. Carroll; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola Niobium-nitrides derived from nitrogen splitting Chem.Commun., 2015, 51, 3526 |
| 7108452 | CIF | C162 H144 Fe4 N36 O22 S4 | I 2 3 | 22.1233; 22.1233; 22.1233 90; 90; 90 | 10828 | Song Yi; Valentina Brega; Burjor Captain; Angel E. Kaifer Sulfate-templated self-assembly of new M4L6 tetrahedral metal organic cages Chem.Commun., 2012, 48, 10295 |
| 7108323 | CIF | C156 H162 Cu3 N14 O86 Zn15 | I 2 3 | 23.3483; 23.3483; 23.3483 90; 90; 90 | 12728.2 | Hui Yang; Fei Wang; Yao Kang; Jian Zhang Chiral assembly of dodecahedral cavities into porous metal-organic frameworks Chem.Commun., 2012, 48, 9424 |
| 7108322 | CIF | C79 H79 N9 O42 Zn9 | I 2 3 | 23.3024; 23.3024; 23.3024 90; 90; 90 | 12653.2 | Hui Yang; Fei Wang; Yao Kang; Jian Zhang Chiral assembly of dodecahedral cavities into porous metal-organic frameworks Chem.Commun., 2012, 48, 9424 |
| 7106101 | CIF | C58 H69 Mn9 N6 O28.5 | I 2 3 | 25.729; 25.729; 25.729 90; 90; 90 | 17032 | Ross Inglis; Fraser White; Stergios Piligkos; Wolfgang Wernsdorfer; Euan K. Brechin; Giannis S. Papaefstathiou Chiral single-molecule magnets: a partial Mn(III) supertetrahedron from achiral components Chem.Commun., 2011, 47, 3090 |
| 7106023 | CIF | C92 H92 Cl2 Lu2 N8 | I 2 3 | 24.629; 24.629; 24.629 90; 90; 90 | 14940 | Paul Benndorf; Jelena Jenter; Larissa Zielke; Peter W. Roesky Chiral Lutetium Benzamidinate Complexes Chem.Commun., 2011, 47, 2574 |
| 7106013 | CIF | C45 H51 N3 O28 Zn4 | I 2 3 | 19.2919; 19.2919; 19.2919 90; 90; 90 | 7180 | Jingui Duan; Junfeng Bai; Baishu Zheng; Yizhi Li; Wenchao Ren Controlling the Shifting Degree of Interpenetrated Metal-Organic Frameworks by Template and Temperature and Their Hydrogen Adsorption Properties Chem.Commun., 2011, 47, 2556 |
| 7062856 | CIF | C90 H48 O41 Zn11 | I 2 3 | 23.115; 23.115; 23.115 90; 90; 90 | 12350 | An, Nan; Ma, Lu-Lu; Yang, Fan; Zhang, Wen-Yan; Yang, Guo-Ping; Wang, Yao-Yu Porous Zn-MOF with two diverse cages synthesized using functionalized biphenyl tricarboxylic acid: CO2 selective adsorption and fixation New Journal of Chemistry, 2023, 47, 20807-20813 |
| 7056540 | CIF | C36 H74 Cl6 N20 O4 | I 2 3 | 18.125; 18.125; 18.125 90; 90; 90 | 5954.3 | Matyuska, Ferenc; Nagy, Nora V.; Benyei, Attila; Gajda, Tamás Control of structure, stability and catechol oxidase activity of copper(II) complexes by the denticity of tripodal platforms New J. Chem., 2017 |
| 7043285 | CIF | C12 H30 N3 Na2 O22 V6 | I 2 3 | 19.168; 19.168; 19.168 90; 90; 90 | 7042.6 | Wei, Yongge; Xiao, Zicheng; Hu, Xunliang; Hu, Xiaokang; Huang, Bo; Cheng, Min; Wu, Pingfan; Lin, Xinjun Syntheses and post-functionalization of tri-substituted polyalkoxohexavanadates containing tris(alkoxo) ligands Dalton Trans., 2017 |
| 7043282 | CIF | C12 H27 N3 O33.25 V6 | I 2 3 | 19.094; 19.094; 19.094 90; 90; 90 | 6961.3 | Wei, Yongge; Xiao, Zicheng; Hu, Xunliang; Hu, Xiaokang; Huang, Bo; Cheng, Min; Wu, Pingfan; Lin, Xinjun Syntheses and post-functionalization of tri-substituted polyalkoxohexavanadates containing tris(alkoxo) ligands Dalton Trans., 2017 |
| 7043262 | CIF | C156 H246 Cl22 Cu11 N42 O12 | I 2 3 | 26.8501; 26.8501; 26.8501 90; 90; 90 | 19357 | Matyuska, Ferenc; Szorcsik, Attila; Nagy, Nora V.; Dancs, Ágnes; Kováts, Éva; Benyei, Attila; Gajda, Tamás Tailoring the local environment around metal ions: solution chemical and structural study of some multidentate tripodal ligands Dalton Trans., 2017 |
| 7020234 | CIF | C18 H12 Bi Br3 F3 P Se | I 2 3 | 16.3328; 16.3328; 16.3328 90; 90; 90 | 4356.9 | Alhanash, Fatma B.; Barnes, Nicholas A.; Brisdon, Alan K.; Godfrey, Stephen M.; Pritchard, Robin G. Formation of M4Se4 cuboids (M = As, Sb, Bi) via secondary pnictogen-chalcogen interactions in the co-crystals MX3·Se=P(p-FC6)H4)3 (M = As, X = Br; M = Sb, X = Cl; M = Bi, X = Cl, Br). Dalton transactions (Cambridge, England : 2003), 2012, 41, 10211-10218 |
| 7020233 | CIF | C18 H12 Bi Cl3 F3 P Se | I 2 3 | 16.1403; 16.1403; 16.1403 90; 90; 90 | 4204.7 | Alhanash, Fatma B.; Barnes, Nicholas A.; Brisdon, Alan K.; Godfrey, Stephen M.; Pritchard, Robin G. Formation of M4Se4 cuboids (M = As, Sb, Bi) via secondary pnictogen-chalcogen interactions in the co-crystals MX3·Se=P(p-FC6)H4)3 (M = As, X = Br; M = Sb, X = Cl; M = Bi, X = Cl, Br). Dalton transactions (Cambridge, England : 2003), 2012, 41, 10211-10218 |
| 7020232 | CIF | C18 H12 Cl3 F3 P Sb Se | I 2 3 | 16.1817; 16.1817; 16.1817 90; 90; 90 | 4237.1 | Alhanash, Fatma B.; Barnes, Nicholas A.; Brisdon, Alan K.; Godfrey, Stephen M.; Pritchard, Robin G. Formation of M4Se4 cuboids (M = As, Sb, Bi) via secondary pnictogen-chalcogen interactions in the co-crystals MX3·Se=P(p-FC6)H4)3 (M = As, X = Br; M = Sb, X = Cl; M = Bi, X = Cl, Br). Dalton transactions (Cambridge, England : 2003), 2012, 41, 10211-10218 |
| 7020231 | CIF | C18 H12 As Br3 F3 P Se | I 2 3 | 16.2032; 16.2032; 16.2032 90; 90; 90 | 4254 | Alhanash, Fatma B.; Barnes, Nicholas A.; Brisdon, Alan K.; Godfrey, Stephen M.; Pritchard, Robin G. Formation of M4Se4 cuboids (M = As, Sb, Bi) via secondary pnictogen-chalcogen interactions in the co-crystals MX3·Se=P(p-FC6)H4)3 (M = As, X = Br; M = Sb, X = Cl; M = Bi, X = Cl, Br). Dalton transactions (Cambridge, England : 2003), 2012, 41, 10211-10218 |
| 7017217 | CIF | C216 H174 B8 Cd4 F26 N36 | I 2 3 | 35.7585; 35.7585; 35.7585 90; 90; 90 | 45723.3 | Hall, Benjamin R.; Manck, Lauren E.; Tidmarsh, Ian S.; Stephenson, Andrew; Taylor, Brian F.; Blaikie, Emma J.; Griend, Douglas A Vander; Ward, Michael D. Structures, host-guest chemistry and mechanism of stepwise self-assembly of M(4)L(6) tetrahedral cage complexes. Dalton transactions (Cambridge, England : 2003), 2011, 40, 12132-12145 |
| 7001726 | CIF | C18 H30 N6 Si2 | I 2 3 | 16.497; 16.497; 16.497 90; 90; 90 | 4489.7 | Armbruster, Felix; Fernández, Ignacio; Breher, Frank Syntheses, structures, and reactivity of poly(pyrazolyl)silanes, -disilanes, and the ambidentate κ1Si/κ3N-coordinating tris(3,5-dimethylpyrazolyl)silanide ligand [Si(3,5-Me2pz)3]− (MeTpsd) Dalton Transactions, 2009, 5612-5626 |
| 6000561 | CIF | As24 Be24 D4 O98.3 Rb24 | I 2 3 | 14.001; 14.001; 14.001 90; 90; 90 | 2744.59 | Parise, J. B.; Corbin, D. R.; Gier, T. E.; Harlow, R. L.; Abrams, L.; Vondreele, R. B. Flexibility of the rho framework - a comparison of the Rb-exchanged zeolite and the novel composition RB24BE24AS24O96.3.2 D2O Zeolites, 1992, 12, 360-368 |
| 6000531 | CIF | Cs3 Ge7 H5.6 O18.3 | I 2 3 | 15.5666; 15.5666; 15.5666 90; 90; 90 | 3772.08 | Roberts, M. A.; Fitch, A. N. The crystal structures of hydrated and partially dehydrated M(3)HGe(7)O(16).nH(2)O, (M=K, Rb, Cs), determined from powder diffraction data using synchrotron radiation Zeitschrift für Kristallographie, 1996, 211, 378-387 |
| 6000530 | CIF | Ge7 H7.2 O19.1 Rb3 | I 2 3 | 15.46; 15.46; 15.46 90; 90; 90 | 3695.1 | Roberts, M. A.; Fitch, A. N. The crystal structures of hydrated and partially dehydrated M(3)HGe(7)O(16).nH(2)O, (M=K, Rb, Cs), determined from powder diffraction data using synchrotron radiation Zeitschrift für Kristallographie, 1996, 211, 378-387 |
| 6000529 | CIF | Ge7 H7.2 K3 O19.1 | I 2 3 | 15.3496; 15.3496; 15.3496 90; 90; 90 | 3616.52 | Roberts, M. A.; Fitch, A. N. The crystal structures of hydrated and partially dehydrated M(3)HGe(7)O(16).nH(2)O, (M=K, Rb, Cs), determined from powder diffraction data using synchrotron radiation Zeitschrift für Kristallographie, 1996, 211, 378-387 |
| 4513326 | CIF | B4 H8.52 K2.67 Na1.33 O31.26 P6 V2 | I 2 3 | 19.985; 19.985; 19.985 90; 90; 90 | 7982 | Sun, Wei; Huang, Ya-Xi; Nokhrin, Sergiy; Pan, Yuanming; Mi, Jin-Xiao Hydrothermal Synthesis of Open-Framework Borophosphates with Tunable Micropore Sizes, Crystal Morphologies, and Thermal Stabilities Crystal Growth & Design, 2015, 15, 3594 |
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