Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
7108406 | CIF | C103 H85.5 Ag2 Au6 B4 F16 N6.5 P6 S2 | F d d 2 | 47.6833; 72.663; 13.6472 90; 90; 90 | 47285 | Li Qu; Jingui Qin A simple nickel bis(dithiolene) complex as an excellent n-type molecular semiconductor for field-effect transistors Chem.Commun., 2012, 48, 9965 |
7119979 | CIF | C72 H124 Mo12 N5 O45 P Zn4 | I 41/a c d :2 | 29.4436; 29.4436; 54.543 90; 90; 90 | 47285 | Wang, Yuan-Yuan; Zhang, Mi; Li, Shun-Li; Zhang, Shu-Ran; Xie, Wei; Qin, Jun-Sheng; Su, Zhong-Min; Lan, Ya-Qian Diamondoid-structured polymolybdate-based metal-organic frameworks as high-capacity anodes for lithium-ion batteries. Chemical communications (Cambridge, England), 2017, 53, 5204-5207 |
7049855 | CIF | In140 O32 S200 | I 41/a c d | 29.475; 29.475; 54.45 90; 90; 90 | 47305 | Zhang, Jiaxu; Liu, Xiaozhuang; Ding, Yayun; Xue, Chaozhuang; Wu, Tao Three new metal chalcogenide open frameworks built through co-assembly and/or hybrid assembly between supertetrahedral T5-InOS and T3-InS nanoclusters Dalton Transactions, 2019 |
1562006 | CIF | C195.5 H248 N19 O67 Zr6 | C 2 2 21 | 25.1903; 29.0888; 64.585 90; 90; 90 | 47325 | Gong, Wei; Liu, Yan; Cui, Yong Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons. Faraday discussions, 2021, 231, 168-180 |
7132786 | CIF | C210 H228 Ag3 B F4 N36 O24 | R 3 2 :H | 38.1751; 38.1751; 37.5163 90; 90; 120 | 47349 | Bajpayee, Nikhil; Pophali, Salil; Vijayakanth, Thangavel; Nandi, Shyamapada; Desai, Aamod V.; Kumar, Vinod; Jain, Rahul; Bera, Santu; Shimon, Linda J. W.; Misra, Rajkumar Metal-driven folding and assembly of a minimal β-sheet into a 3D-porous honeycomb framework. Chemical communications (Cambridge, England), 2024, 60, 2621-2624 |
7215228 | CIF | C28 H16 Cu2 N16 O4 Si | I a -3 d | 36.1906; 36.1906; 36.1906 90; 90; 90 | 47401 | Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P. Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors CrystEngComm, 2014 |
7216826 | CIF | C40 H46 I N11 O10 Zn | R -3 c :H | 44.006; 44.006; 28.267 90; 90; 120 | 47406 | Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction CrystEngComm, 2014, 16, 6335 |
1529089 | CIF | C168 H156 Cu3 F0 N12 O27 S0 | C 1 2/c 1 | 57.029; 34.131; 24.4704 90; 95.496; 90 | 47412 | Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J. Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies Chem. Sci., 2015, 6, 5779 |
7112918 | CIF | C80 H120 Cl13 Rh7 Zn18 | I 41/a :2 | 34.1449; 34.1449; 40.6732 90; 90; 90 | 47420 | Molon, Mariusz; Cadenbach, Thomas; Bollermann, Timo; Gemel, Christian; Fischer, Roland A. One electron organozinc ligands in metal rich molecules by Ga/Zn exchange: from Cp*Rh(GaCp*)2 to Cp*Rh(ZnR)4 units. Chemical communications (Cambridge, England), 2010, 46, 5677-5679 |
7227204 | CIF | C36 H124 Mo24 N24 O116 Sb4 | F d -3 m | 36.2075; 36.2075; 36.2075 90; 90; 90 | 47467 | Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties CrystEngComm, 2017, 19, 207 |
4514568 | CIF | C11 H6 In0.5 N0.5 O2.67 | P m -3 n | 36.2108; 36.2108; 36.2108 90; 90; 90 | 47480.4 | Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Liu, Chulong; Lin, Quanjie; Chen, Shimin; Xiang, Shengchang; Zhang, Zhangjing Enhancement of Intrinsic Proton Conductivity and Aniline Sensitivity by Introducing Dye Molecules into the MOF Channel. ACS applied materials & interfaces, 2019, 11, 16490-16495 |
4108165 | CIF | H978.5 Mo151 N26.25 O628.75 | P -1 | 30.163; 34.0804; 46.7339 93.9918; 94.4527; 95.37 | 47542.5 | Sayaka Shishido; Tomoji Ozeki The pH Dependent Nuclearity Variation of {Mo154-x}-type Polyoxomolybdates and Tectonic Effect on Their Aggregations Journal of the American Chemical Society, 2008, 130, 10588-10595 |
1563792 | CIF | C105 H72 O33 Pb11 | F d d d :2 | 26.6681; 31.3068; 56.946 90; 90; 90 | 47544 | Xiao, Jun-Xia; Ma, De-Yun Syntheses, structures, luminescent and catalytic properties of two 3D metal-organic frameworks Inorganica Chimica Acta, 2018, 483, 6-11 |
7112100 | CIF | C84 H108 Cl Mn6 N6 Na O24 | I a -3 d | 36.229; 36.229; 36.229 90; 90; 90 | 47552 | Brechin, Euan K.; Sanz, Sergio; Frost, Jamie M.; Lusby, Paul J.; Piligkos, Stergios; Pitak, Mateusz B.; Coles, Simon J. 'Converting' an hexametallic MnIII wheel to a dodecametallic MnIII wheel via ligand oximation Chem.Commun., 2014, 50, 3310 |
7126818 | CIF | C242 H146 Mo12 N16 O54 | C 1 2/c 1 | 59.221; 23.4873; 41.898 90; 125.318; 90 | 47552 | Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D. Design and synthesis of aryl-functionalized carbazole-based porous coordination cages. Chemical communications (Cambridge, England), 2020, 56, 9352-9355 |
4105205 | CIF | C84 H256 Na14 O149 V7 | R 3 2 :H | 34.444; 34.444; 46.286 90; 90; 120 | 47556 | Norihisa Hoshino; Motohiro Nakano; Hiroyuki Nojiri; Wolfgang Wernsdorfer; Hiroki Oshio Templating Odd Numbered Magnetic Rings: Oxovanadium Heptagons Sandwiched by β-Cyclodextrins Journal of the American Chemical Society, 2009, 131, 15100-15101 |
7236295 | CIF | C96 H42 O16 Zr3 | R -3 m :H | 28.1333; 28.1333; 69.411 90; 90; 120 | 47577 | Chen, Dashu; Xing, Hongzhu; Wang, Chungang; Su, Zhongmin Highly efficient visible-light-driven CO2 reduction to formate by a new anthracene-based zirconium MOF via dual catalytic routes Journal of Materials Chemistry A, 2016, 4, 2657 |
1569409 | CIF | C534 H732 Ca38 N24 Na24 O290 | I m -3 m | 36.2373; 36.2373; 36.2373 90; 90; 90 | 47585 | Sikligar, Kanishka; Kelley, Steven P.; Wagle, Durgesh V.; Ishtaweera, Piyuni; Baker, Gary A.; Atwood, Jerry L. Nanocapsules of unprecedented internal volume seamed by calcium ions. Chemical science, 2023, 14, 9063-9067 |
4022906 | CIF | C266.67 H220 Cl40 I2.67 N5.33 O32 P10.67 | P c a 21 | 28.2853; 32.5755; 51.646 90; 90; 90 | 47587 | Rita De Zorzi; Béatrice Dubessy; Jean-Christophe Mulatier; Silvano Geremia; Lucio Randaccio; Jean-Pierre Dutasta Structure of a 4:1:4 Supramolecular Assembly of Neutral TiiiiPO Cavitands and Tetrakis(N-methylpyridinium)porphyrin Iodide Journal of Organic Chemistry, 2007, 72, 4528-4531 |
7236331 | CIF | C928 H496 Cu96 N32 O456 | F m -3 m | 36.24; 36.24; 36.24 90; 90; 90 | 47595 | Liu, Jianqiang; Liu, Guoliang; Gu, Chuying; Liu, Weicong; Xu, Jingwen; Li, Baohong; Wang, Wenjing Rational synthesis of a novel 3,3,5-c polyhedral metal‒organic framework with high thermal stability and hydrogen storage capability Journal of Materials Chemistry A, 2016, 4, 11630 |
4349879 | CIF | C35 H17 Cu2 N3 O11 | I m -3 m | 36.244; 36.244; 36.244 90; 90; 90 | 47611 | Zheng, Baishu; Luo, Xin; Wang, Zhaoxu; Zhang, Shaowei; Yun, Ruirui; Huang, Lu; Zeng, Wenjiang; Liu, Wenlong An unprecedented water stable acylamide-functionalized metal‒organic framework for highly efficient CH4/CO2 gas storage/separation and acid‒base cooperative catalytic activity Inorganic Chemistry Frontiers, 2018, 5, 2355 |
1544788 | CIF | C697 H897 Ag115 P12 S81 | P -1 | 29.4745; 35.8121; 48.4263 86.379; 75.637; 74.164 | 47638.4 | Bestgen, Sebastian; Fuhr, Olaf; Breitung, Ben; Kiran Chakravadhanula, Venkata Sei; Guthausen, Gisela; Hennrich, Frank; Yu, Wen; Kappes, Manfred M.; Roesky, Peter W.; Fenske, Dieter [Ag115S34(SCH2C6H4tBu)47(dpph)6]: synthesis, crystal structure and NMR investigations of a soluble silver chalcogenide nanocluster Chem. Sci., 2017, 8, 2235 |
7032949 | CIF | C242 H235.5 Er F27 Ga2 N68.5 O27 S9 | P 1 21/c 1 | 29.3602; 61.334; 26.7917 90; 98.955; 90 | 47657.8 | Zare, Davood; Suffren, Yan; Guénée, Laure; Eliseeva, Svetlana V.; Nozary, Homayoun; Aboshyan-Sorgho, Lilit; Petoud, Stéphane; Hauser, Andreas; Piguet, Claude Smaller than a nanoparticle with the design of discrete polynuclear molecular complexes displaying near-infrared to visible upconversion. Dalton transactions (Cambridge, England : 2003), 2015, 44, 2529-2540 |
4134394 | CIF | C713.58 H804.32 N114.89 O350.35 Pd24 | I -4 2 d | 40.908; 40.908; 28.479 90; 90; 90 | 47659 | Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition. Journal of the American Chemical Society, 2020, 142, 5504-5508 |
7021264 | CIF | C694 H561 B32 Cd16 F128 N155 | P -1 | 34.45; 36.508; 44.278 75.08; 73.819; 64.522 | 47669 | Stephenson, Andrew; Sykes, Daniel; Ward, Michael D. Cu12 and Cd16 coordination cages and their Cu3 and Cd3 subcomponents, and the role of inter-ligand π-stacking in stabilising cage complexes. Dalton transactions (Cambridge, England : 2003), 2013, 42, 6756-6767 |
1529321 | CIF | C56 H68 N4 O13 | F 4 3 2 | 36.2659; 36.2659; 36.2659 90; 90; 90 | 47697.5 | Barker, Emily C.; Goh, Ching Yong; Jones, Franca; Mocerino, Mauro; Skelton, Brian W.; Becker, Thomas; Ogden, Mark I. Investigating hydrogel formation using in situ variable-temperature scanning probe microscopy Chem. Sci., 2015, 6, 6133 |
7028500 | CIF | C70 H100 Cl2 N6 Ni3 O4 S3 | R 3 :H | 24.7936; 24.7936; 89.645 90; 90; 120 | 47724 | Feldscher, Bastian; Theil, Hubert; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten A streamlined synthesis of extended thiophloroglucinol ligands and their trinuclear Ni(II)3 complexes. Dalton transactions (Cambridge, England : 2003), 2014, 43, 4102-4114 |
7246492 | CIF | C162 H165 N25 O18 S4 | R -3 c :H | 21.9765; 21.9765; 114.166 90; 90; 120 | 47751.2 | Ami, Takahiro; Oka, Kouki; Tsuchiya, Keiho; Kosaka, Wataru; Miyasaka, Hitoshi; Tohnai, Norimitsu The introduction of a base component to porous organic salts and their CO2 storage capability CrystEngComm, 2023, 25, 2321-2325 |
4102806 | CIF | C85 H58 Fe N10 O8 | R -3 :H | 50.7473; 50.7473; 21.4124 90; 90; 120 | 47755 | Ismail Hijazi; Thierry Roisnel; Pascale Even-Hernandez; Eric Furet; Jean-François Halet; Olivier Cador; Bernard Boitrel Characterization of a Six-Coordinate Ferrous High-Spin Heme with Both Intramolecular Axial Carboxylic Acid and Pyridine Journal of the American Chemical Society, 2010, 132, 10652-10653 |
4517317 | CIF | C42 H22 Cl0 Fe3 N0 O16 | R -3 c :H | 27.45; 27.45; 73.194 90; 90; 120 | 47762.9 | Xue, Yingying; Zhang, Jian-Wei; Li, Yongpeng; Li, Haipeng; Wang, Ying; Li, Shuni; Jiang, Yucheng; Hu, Mancheng; Zhai, Quanguo The mimic of ferroalloy to develop a bifunctional Fe-organic framework platform for enhanced gas sorption and efficient oxygen evolution electrocatalysis. ACS applied materials & interfaces, 2019 |
1559132 | CIF | C93 H110 F12 N4 O28 Rh4 S8 | C 1 2/c 1 | 71.953; 17.886; 37.342 90; 96.315; 90 | 47766 | Lu, Ye; Liu, Dong; Lin, Yue-Jian; Jin, Guo-Xin A Hierarchical Assembly Strategy for Near-Infrared Photothermal Conversion: Unconventional Heterogeneous Metalla[2]catenanes Chemical Science, 2020 |
4107540 | CIF | C120 H108 N18 O30 Zn3 | R -3 c :H | 25.278; 25.278; 86.34 90; 90; 120 | 47778 | Aleema Westcott; Julie Fisher; Lindsay P. Harding; Pierre Rizkallah; Michaele J. Hardie Self-Assembly of a 3-D Triply Interlocked Chiral [2]Catenane Journal of the American Chemical Society, 2008, 130, 2950-2951 |
4315911 | CIF | C216 H736 Mn12 Na12 O332 | C 1 2/c 1 | 30.624; 51.439; 32.37 90; 110.29; 90 | 47827 | Brendan F. Abrahams; Nicholas J. FitzGerald; Richard Robson A Doughnut-Like (MnIII)12 Metallocycle Formed by a Rigid Angular Bis-Catecholate with a Nanometer-Sized Central Hole Inorganic Chemistry, 2010, 49, 5953-5956 |
7007063 | CIF | C100 H90 Ag5 B4 F16 N20 O10 | I 41/a :2 | 46.8568; 46.8568; 21.7997 90; 90; 90 | 47862.5 | Price, Jason R.; Lan, Yanhua; Jameson, Geoffrey B.; Brooker, Sally Control of molecular architecture by steric and electronic factors: dinuclear side-by-side vs. tetranuclear [2 x 2] grid-type silver(I) complexes. Dalton transactions (Cambridge, England : 2003), 2006, 1491-1494 |
7715112 | CIF | C316 H272 Cl56 Eu4 F36 N60 O48 S12 | C 2 2 21 | 21.6885; 51.788; 42.6164 90; 90; 90 | 47867 | Guo, Xiao-Qing; Zhou, Li-Peng; Hu, Shao-Jun; Sun, Qing-Fu Subtle adjustments for constructing multi-nuclear luminescent lanthanide organic polyhedra with triazole-based chelates Dalton Transactions, 2024, 53, 4772-4780 |
4507533 | CIF | C20 H16 N4 O4 Zn | F d -3 c :2 | 36.3142; 36.3142; 36.3142 90; 90; 90 | 47888 | Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates Crystal Growth & Design, 2013, 13, 1277 |
7702368 | CIF | C204 H510 Cu140 P34 Se70 | C 1 2/c 1 | 34.116; 48.433; 30.942 90; 110.47; 90 | 47898 | Zhu, Nianyong; Fenske, Dieter Novel Cu‒Se clusters with Se‒layer structures: [Cu32Se7(SenBu)18(PiPr3)6], [Cu50Se20(SetBu)10(PiPr3)10], [Cu73Se35(SePh)3(PiPr3)21], [Cu140Se70(PEt3)34] and [Cu140Se70(PEt3)36] Journal of the Chemical Society, Dalton Transactions, 1999, 1067 |
7200378 | CIF | C72 H102 Ag6 F36 N6 P6 S12 | I a -3 d | 36.322; 36.322; 36.322 90; 90; 90 | 47919 | Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures CrystEngComm, 2009, 11, 43 |
1562007 | CIF | C135 H78 O40 Zr6 | C 2 2 21 | 25.626; 30.235; 61.873 90; 90; 90 | 47939 | Gong, Wei; Liu, Yan; Cui, Yong Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons. Faraday discussions, 2021, 231, 168-180 |
4135222 | CIF | C315 H543 Cr27 F24 N6 O109 S3 | C 2 2 21 | 30.139; 52.7563; 30.1676 90; 90; 90 | 47967.2 | Lockyer, Selena J.; Nawaz, Selina; Brookfield, Adam; Fielding, Alistair J.; Vitorica-Yrezabal, Inigo J; Timco, Grigore A.; Burton, Neil A.; Bowen, Alice M.; Winpenny, Richard E. P.; McInnes, Eric J. L. Conformational flexibility of hybrid [3]- and [4]-rotaxanes. Journal of the American Chemical Society, 2020 |
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 |
4128100 | CIF | C68 H77 Co2 N4 O6 | I -4 c 2 | 30.049; 30.049; 53.137 90; 90; 90 | 47980 | Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework. Journal of the American Chemical Society, 2019, 141, 6822-6826 |
4348833 | CIF | C120 H12 Cu12 F72 N24 | F d -3 c :2 | 36.34; 36.34; 36.34 90; 90; 90 | 47990 | Jayaratna, Naleen B.; Olmstead, Marilyn M.; Kharisov, Boris I.; Dias, H. V. Rasika Coinage Metal Pyrazolates [(3,5-(CF3)2Pz)M]3 (M = Au, Ag, Cu) as Buckycatchers. Inorganic chemistry, 2016, 55, 8277-8280 |
4132903 | CIF | In136 S216 | I 41/a c d :2 | 29.569; 29.569; 54.901 90; 90; 90 | 48001 | Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly. Journal of the American Chemical Society, 2018, 140, 11189-11192 |
4517563 | CIF | C231 H144 O32 Zr6 | R -3 m :H | 35.6432; 35.6432; 43.654 90; 90; 120 | 48029 | Duan, Zhigang; Li, Yue; Xiao, Xue; Huang, Xiaoli; Li, Xiaoteng; Li, Yiyang; Zhang, Chong; Zhang, Hang; Li, Lin; Lin, Zhihua; Zhao, Yonggang; Huang, Wei Interpenetrated Metal-Organic Frameworks with <b>ftw</b> Topology and Versatile Functions. ACS applied materials & interfaces, 2020, 12, 18715-18722 |
1567344 | CIF | C104 H120 Cl4 F2 N8 O2 S4 | R 3 c :H | 41.303; 41.303; 32.517 90; 90; 120 | 48040 | Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells Energy & Environmental Science, 2022, 15, 3519-3533 |
4120080 | CIF | C199.5 H259.5 Cl58.5 N12 O12 | I -4 | 33.479; 33.479; 42.914 90; 90; 90 | 48100 | Jamie L. Culshaw; Ge Cheng; Marc Schmidtmann; Tom Hasell; Ming Liu; Dave J. Adams; Andrew I. Cooper Dodecaamide Cages: Organic 12-Arm Building Blocks for Supramolecular Chemistry Journal of the American Chemical Society, 2013, 135, 10007-10010 |
4318262 | CIF | C72 H90 B3 F12 N12 O5 Pd3 | R -3 :H | 57.982; 57.982; 16.5311 90; 90; 120 | 48130.3 | Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt Molecular Triangle of Palladium(II) and Its Anion Binding Properties Inorganic Chemistry, 2002, 41, 3967-3974 |
4003100 | CIF | C72 H33 F N6 Ni3 O12 | I -4 3 m | 36.379; 36.379; 36.379 90; 90; 90 | 48145 | Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks Chemistry of Materials, 2018, 30, 8332 |
4329084 | CIF | C84 H48 Ni8 O118.72 P16 U12 | F -4 3 c | 36.38; 36.38; 36.38 90; 90; 90 | 48149 | Pius O. Adelani; Allen G. Oliver; Thomas E. Albrecht-Schmitt Uranyl Heteropolyoxometalate: Synthesis, Structure, and Spectroscopic Properties Inorganic Chemistry, 2012, 51, 4885-4887 |
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