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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
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
4021983	CIF	C93 H105 B3	I -4 3 d	36.383; 36.383; 36.383 90; 90; 90	48160	Mao-Sen Yuan; Qi Fang; Zhi-Qiang Liu; Jian-Ping Guo; Hong-Yu Chen; Wen-Tao Yu; Gang Xue; Dian-Sheng Liu Acceptor or Donor (Diaryl B or N) Substituted Octupolar Truxene: Synthesis, Structure, and Charge-Transfer-Enhanced Fluorescence Journal of Organic Chemistry, 2006, 71, 7858-7861
4318863	CIF	C168 H180 Gd4 N12 O60	F d -3 :2	36.392; 36.392; 36.392 90; 90; 90	48197	Yong Cui; Helen L. Ngo; Wenbin Lin Self-Assembly of Nanoscale, Porous T-Symmetric Molecular Adamantanoids Inorganic Chemistry, 2002, 41, 5940-5942
7212015	CIF	C48 H72 Br4 Cu31 N96 O32 S32	F -4 3 c	36.3997; 36.3997; 36.3997 90; 90; 90	48227.4	Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell CrystEngComm, 2010, 12, 55
7125122	CIF	C94 H168 Au9 Co6 N18 Na2 O50 S18 Zn	P 61 2 2	44.2485; 44.2485; 28.4446 90; 90; 120	48231.1	Surinwong, Sireenart; Yoshinari, Nobuto; Kojima, Tatsuhiro; Konno, Takumi A drastic change in the superhydrophilic crystal porosities of metallosupramolecular structures via a slight change in pH. Chemical communications (Cambridge, England), 2016, 52, 12893-12896
7017401	CIF	C115 H163 Ba Cu4 N8 O22	C 1 2/c 1	41.415; 42.163; 28.256 90; 101.949; 90	48271	Barreira-Fontecha, Julia; Kulmaczewski, Rafal; Ma, Xiaomei; McKee, Vickie Double template effect in [4 + 4] Schiff base macrocycle formation; an ESI-MS study. Dalton transactions (Cambridge, England : 2003), 2011, 40, 12040-12043
7216078	CIF	C38 H51.12 O9.56	P n -3 n :2	36.412; 36.412; 36.412 90; 90; 90	48276	Tedesco, Consiglia; Immediata, Ivano; Gregoli, Luisa; Vitagliano, Luigi; Immirzi, Attilio; Neri, Placido Interconnected water channels and isolated hydrophobic cavities in a calixarene-based, nanoporous supramolecular architecture CrystEngComm, 2005, 7, 449
1556875	CIF	C311.2 H387.9 B90.2 F18 Fe4 N55.5 O36 S6	C 1 c 1	33.357; 32.3478; 45.8124 90; 102.32; 90	48294.4	Lu, Zhenpin; Ronson, Tanya K.; Nitschke, Jonathan R. Reversible reduction drives anion ejection and C60 binding within an FeII4L6 cage Chemical Science, 2020, 11, 1097-1101
7125058	CIF	C204 H351 N130 O191 Pd20	C 1 2/c 1	48.457; 27.761; 37.941 90; 108.713; 90	48341	Wang, Shitao; Sawada, Tomohisa; Fujita, Makoto Capsule-bowl conversion triggered by a guest reaction. Chemical communications (Cambridge, England), 2016, 52, 11653-11656
4126096	CIF	C51 H34 Fe3 N6 O13	R -3 c	27.696; 27.696; 72.829 90; 90; 120	48380	Zhang, Feng-Ming; Dong, Long-Zhang; Qin, Jun-Sheng; Guan, Wei; Liu, Jiang; Li, Shun-Li; Lu, Meng; Lan, Ya-Qian; Su, Zhong-Min; Zhou, Hong-Cai Effect of Imidazole Arrangements on Proton-Conductivity in Metal-Organic Frameworks. Journal of the American Chemical Society, 2017, 139, 6183-6189
4348551	CIF	C193 H227 Cl6 N20 O110.5 V30	F m -3 m	36.44; 36.44; 36.44 90; 90; 90	48388	Zhang, Yuteng; Wang, Xinlong; Li, Shuangbao; Song, Baiqiao; Shao, Kuizhan; Su, Zhongmin Ligand-Directed Assembly of Polyoxovanadate-Based Metal-Organic Polyhedra. Inorganic chemistry, 2016, 55, 8770-8775
4328393	CIF	C40 K13 O368 U50	C m c m	28.152; 42.662; 40.296 90; 90; 90	48396	Jie Ling; Jie Qiu; Peter C. Burns Uranyl Peroxide Oxalate Cage and Core-Shell Clusters Containing 50 and 120 Uranyl Ions Inorganic Chemistry, 2012, 51, 2403-2408
7116529	CIF	C26 H126 Cu6 Er2 N24 O97 Si2 W22	F d d 2	43.425; 43.548; 25.625 90; 90; 90	48459	Fei-Yan Yi; Wei Zhu; Song Dang; Jian-Ping Li; Dai Wu; Yun-hui Li; Zhong-Ming Sun Polyoxometalates-based heterometallic organic-inorganic hybrid materials for rapid adsorption and selective separation of methylene blue from aqueous solutions Chem.Commun., 2015, 51, 3336
7242306	CIF	C24 H18 O4	F d -3 c :2	36.4661; 36.4661; 36.4661 90; 90; 90	48491.8	Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M. Interplay between the crystal stability and the energy of the molecular conformation CrystEngComm, 2021, 23, 2683-2694
4510587	CIF	C10 H2 Cu O5 S2	F m -3 m	36.479; 36.479; 36.479 90; 90; 90	48543	Huang, Yumei; Zhang, Bingguang; Duan, Jingui; Liu, Wenlong; Zheng, Xiaofang; Wen, Lili; Ke, Xiaohuan; Li, Dongfeng Two Copper(II) Metal‒Organic Frameworks with Nanoporous Channels and Vacant Coordination Sites Crystal Growth & Design, 2014, 14, 2866
7228692	CIF	C97 H144 N6 O44 Tb6	R -3	26.742; 26.742; 78.391 90; 90; 120	48549	li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties CrystEngComm, 2017
4318264	CIF	C74.25 H94.5 Cl3 N12 O17.75 Pd3	R -3 :H	58.3769; 58.3769; 16.4532 90; 90; 120	48558.3	Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt Molecular Triangle of Palladium(II) and Its Anion Binding Properties Inorganic Chemistry, 2002, 41, 3967-3974
1557441	CIF	C190 H252 Ba2 F30 N24 O60 Rh6 S14	C 1 2/c 1	72.911; 20.9282; 33.246 90; 106.419; 90	48661	Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin s-Block metal ions induce structural transformations between figure-eight and double trefoil knots Chemical Science, 2020, 11, 1226-1232
7019049	CIF	C266.5 H195 Cl29 Cu12 N96 O84	R -3 c :H	25.626; 25.626; 85.61 90; 90; 120	48687	Zhao, Qiang; Liu, Xiu-Ming; Song, Wei-Chao; Bu, Xian-He Valence-induced assembly of Cu(I)-Cu(II) ions into different discrete coordination architectures by a disk-shaped polypyridyl ligand. Dalton transactions (Cambridge, England : 2003), 2012, 41, 6683-6688
7032991	CIF	C288 H192 N48 O24 Pd6	R -3 :H	45.1264; 45.1264; 27.6353 90; 90; 120	48736.7	Noh, Tae Hwan; Hong, Woosik; Lee, Haeri; Jung, Ok-Sang Indistinguishability and distinguishability between amide and ester moieties in the construction and properties of M6L8 octahedral nanocages. Dalton transactions (Cambridge, England : 2003), 2015, 44, 787-794
7110421	CIF	C109.5 H116.25 Cu3 F18 N12.75 P3	I 21 3	36.533; 36.533; 36.533 90; 90; 90	48759	Constable, Edwin C.; Housecroft, Catherine E.; Kulke, Torsten; Baum, Gerhard; Fenske, Dieter Chiral 1,2-ethanediyl-spaced quaterpyridines give a library of cyclic and double helicates with copper(I) Chemical Communications, 1999, 195
1552275	CIF	C70 H132 Ag17 N14 S28	I -4 3 d	36.5504; 36.5504; 36.5504 90; 90; 90	48828.8	Wu, Tong; Yin, Di; Hu, Xun; Yang, Bo; Liu, Hong; Xie, Yun-Peng; Liu, Shi-Xi; Ma, Lulu; Gao, Guang-Gang A disulfur ligand stabilization approach to construct a silver(i)-cluster-based porous framework as a sensitive SERS substrate. Nanoscale, 2019, 11, 16293-16298
7228693	CIF	C97 H144 Gd6 N6 O44	R -3	26.842; 26.842; 78.271 90; 90; 120	48838	li, bao; hu, peng; yin, lei; Mao, Nannan; Yu, Fan; Wang, Zhenxing; Zhang, Tianle A series of six-member lanthanide-rings based on 2,2-bis(hydroxymethyl)-2,2’,2’’-nitrilotriethanol : synthesis, crystal structures and magnetic properties CrystEngComm, 2017
1503826	CIF	C140.64 H73.28 N4 O	R -3 :H	46.5271; 46.5271; 26.061 90; 90; 120	48858	Clavaguera, Simon; Khan, Saeed I.; Rubin, Yves Unexpected de-arylation of a pentaaryl fullerene. Organic letters, 2009, 11, 1389-1391
4514567	CIF	C11 H7 In0.5 N0.5 O2.67	P m -3 n	36.5584; 36.5584; 36.5584 90; 90; 90	48860.9	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
7118830	CIF	C192 H240 B6.25 F25 Fe4 N38	P 63	40.6845; 40.6845; 34.133 90; 90; 120	48929	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
1571056	CIF	C310 H264 O24 S12	I a -3	36.5768; 36.5768; 36.5768 90; 90; 90	48934.7	An, Dongyue; Zhang, Rong; Zhu, Jiangyu; Wang, Teng; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi From π-conjugated macrocycles to heterocycloarenes based on benzo[2,1-<i>b</i>:3,4-<i>b</i>']dithiophene (BDTh): size- and geometry-dependent host-guest properties. Chemical science, 2024, 15, 4590-4601
7212014	CIF	C48 H72 Cl4 Cu31 N96 O32 S32	F -4 3 c	36.577; 36.577; 36.577 90; 90; 90	48936	Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell CrystEngComm, 2010, 12, 55
4118223	CIF	C160 H160 Cl9 N40 O40	P 1 21/c 1	40.8514; 37.8785; 31.65 90; 90.577; 90	48972	Yann Ferrand; Nagula Chandramouli; Amol M. Kendhale; Christophe Aube; Brice Kauffmann; Axelle Grélard; Michel Laguerre; Didier Dubreuil; Ivan Huc Long-Range Effects on the Capture and Release of a Chiral Guest by a Helical Molecular Capsule Journal of the American Chemical Society, 2012, 134, 11282-11288
4003600	CIF	C120 H120 Cl4 O40 Zr12	F m -3 m	36.587; 36.587; 36.587 90; 90; 90	48976	Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D. Ligand-Based Phase Control in Porous Zirconium Coordination Cages Chemistry of Materials, 2020
4134959	CIF	C120 H120 Cl4 O40 Zr12	F m -3 m	36.587; 36.587; 36.587 90; 90; 90	48976	Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D. A Charged Coordination Cage-Based Porous Salt. Journal of the American Chemical Society, 2020, 142, 9594-9598
7032992	CIF	C291 H183 N36 O36 Pd6	R -3 :H	45.2042; 45.2042; 27.6805 90; 90; 120	48984.9	Noh, Tae Hwan; Hong, Woosik; Lee, Haeri; Jung, Ok-Sang Indistinguishability and distinguishability between amide and ester moieties in the construction and properties of M6L8 octahedral nanocages. Dalton transactions (Cambridge, England : 2003), 2015, 44, 787-794
1550921	CIF	C5 H9.33 N1.33 O4 S20 Sn10	I -4 c 2	29.1874; 29.1874; 57.5222 90; 90; 90	49003.4	Dehnen, Stefanie Susanne; Peters, Bertram; Santner, Silke; Donsbach, Carsten; Smarsly, Bernd; Voepel, Pascal Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles Chemical Science, 2019
4340353	CIF	C336 H312 Cl2 Co24 N16 O72 S28	P 1 21/c 1	31.658; 36.128; 45.154 90; 108.341; 90	49021	Tan, Huaqiao; Du, Shangchao; Bi, Yanfeng; Liao, Wuping Two Elongated Octahedral Coordination Cages Constructed by M4-TC4A Secondary Building Units (M = Co(II) and Fe(II)) and 2,2'-Bipyridine-4,4'-dicarboxylic Acids. Inorganic chemistry, 2014, 53, 7083-7085
7128357	CIF	C108 H60 Cl6 N6 O40 Zr12	F m -3 m	36.6049; 36.6049; 36.6049 90; 90; 90	49047.6	Liu, Guoliang; Yang, Ziqi; Zhou, Mi; Wang, Yuxiang; Yuan, Daqiang; Zhao, Dan Heterogeneous postassembly modification of zirconium metal-organic cages in supramolecular frameworks. Chemical communications (Cambridge, England), 2021, 57, 6276-6279
4314574	CIF	C184 H209 N15 O43.5 Pd8 S3	C 1 2/c 1	43.49; 28.1; 40.83 90; 100.545; 90	49054	Tanya K. Ronson; Christopher Carruthers; Julie Fisher; Thierry Brotin; Lindsay P. Harding; Pierre J. Rizkallah; Michaele J. Hardie Tripodal 4-Pyridyl-Derived Host Ligands and Their Metallo-Supramolecular Chemistry: Stella Octangula and Bowl-Shaped Assemblies Inorganic Chemistry, 2010, 49, 675-685
7106572	CIF	C180 H438 Cu6 I2 N6 Na8 O102	F d -3 m :2	36.6111; 36.6111; 36.6111 90; 90; 90	49072.5	Brendan F. Abrahams; Berin A. Boughton; Nicholas J. FitzGerald; Jessica L. Holmes; Richard Robson A highly symmetric diamond-like assembly of cyclocatechylene-based tetrahedral cages Chem.Commun., 2011, 47, 7404
1568931	CIF	C88 H88 Al8 N24 O36	I 4 3 2	36.617; 36.617; 36.617 90; 90; 90	49096.2	Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian Accurate binding of porous aluminum molecular ring catalysts with the substrate. Chemical science, 2023, 14, 5396-5404
7129519	CIF	C265 H237 Cl4 N17 O10	C 1 2/c 1	83.483; 20.589; 30.137 90; 108.46; 90	49135	Jang, Hye Jin; Lee, Seungwon; An, Byung Jun; Song, Geunmoo; Jeon, Hae-Geun; Jeong, Kyu-Sung Tweezer-type binding cavity formed by the helical folding of a carbazole–pyridine oligomer Chemical Communications, 2022
7212016	CIF	C48 H72 Cu31 I4 N96 O32 S32	F -4 3 c	36.6289; 36.6289; 36.6289 90; 90; 90	49144	Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell CrystEngComm, 2010, 12, 55
7107817	CIF	C377 H416 Ce8 N82 O111	P -1	27.2839; 42.094; 46.93 67.993; 80.406; 89.908	49163	Yang Jiao; Jing Zhang; Lejie Zhang; Zhihua Lin; Cheng He; Chun-ying Duan Metal-organic polyhedra containing 36 and 24 folds of amide groups for selective luminescent recognition of natural disaccharides Chem.Commun., 2012, 48, 6022
1545534	CIF	C172 H112 Ca2 N32 O111 S8	C 1 2/c 1	34.1155; 45.9981; 33.3135 90; 109.407; 90	49307	Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers Chem. Sci., 2017, 8, 3741
4349878	CIF	C20.5 H11.83 F In1.5 O7.67	R -3 c :H	27.3963; 27.3963; 75.861 90; 90; 120	49310	Fan, Weidong; Liu, Xiuping; Wang, Xia; Li, Yue; Xing, Chengyong; Wang, Yutong; Guo, Wenyue; Zhang, Liangliang; Sun, Daofeng A fluorine-functionalized microporous In-MOF with high physicochemical stability for light hydrocarbon storage and separation Inorganic Chemistry Frontiers, 2018, 5, 2445
1568928	CIF	C94 H100 Al8 N24 O38	I 4 3 2	36.6848; 36.6848; 36.6848 90; 90; 90	49369.5	Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian Accurate binding of porous aluminum molecular ring catalysts with the substrate. Chemical science, 2023, 14, 5396-5404
7215226	CIF	C124 H240 Mn2 N48 O32 Si	I a -3 d	36.7051; 36.7051; 36.7051 90; 90; 90	49451	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
7042161	CIF	C192 H220 Ga70 N36 S112	I 41/a :2	24.003; 24.003; 85.886 90; 90; 90	49483	Vaqueiro, P.; Makin, S.; Tong, Y.; Ewing, S. J. A new class of hybrid super-supertetrahedral cluster and its assembly into a five-fold interpenetrating network. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3816-3819
1515471	CIF	C468 H298 Cl8 N16 Ni4 S4	C 1 2/c 1	25.617; 71.86; 26.909 90; 92.466; 90	49489	Song, Jianxin; Aratani, Naoki; Shinokubo, Hiroshi; Osuka, Atsuhiro A β-to-β 2,5-thienylene-bridged cyclic porphyrin tetramer: its rational synthesis and 1 : 2 binding mode with C60 Chemical Science, 2011, 2, 748
4112602	CIF	C378 H475 F24 N8 O76.5 P8 Pt4 S8	P 1 2/c 1	25.2946; 38.864; 50.4327 90; 93.234; 90	49499	Roberta Pinalli; Veronica Cristini; Valerio Sottili; Silvano Geremia; Mara Campagnolo; Andrea Caneschi; Enrico Dalcanale Cavitand-Based Nanoscale Coordination Cages Journal of the American Chemical Society, 2004, 126, 6516-6517
1547342	CIF	C116 H126 Cl6 N8 O40 Zr12	F m -3 m	36.748; 36.748; 36.748 90; 90; 90	49625	Nam, Dongsik; Huh, Jihyun; Lee, Jiyoung; Kwak, Ja Hun; Jeong, Hu Young; Choi, Kyungmin; Choe, Wonyoung Cross-linking Zr-based Metal-Organic Polyhedra via Postsynthetic Polymerization Chem. Sci., 2017
7039226	CIF	C120 H132 Cl12 N24 O18 Pd6 S6	F d d d	26.0928; 30.8329; 61.733 90; 90; 90	49665	Noh, Tae Hwan; Lee, Haeri; Kim, Doeon; Moon, Dohyun; Lee, Young-A; Jung, Ok-Sang Photoreaction of adsorbed diiodomethane: halide effects of a series of neutral palladium(ii) coordination cages. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9574-9581
7123251	CIF	C218.5 H132 Br13 Co10 F36 N44 O19.75	F d d d	24.0922; 30.1286; 68.447 90; 90; 90	49683	Liang, Liang; Luo, Dong; Zuo, Tao; Zhou, Xiao-Ping; Li, Dan Control over synthesis of homovalent and mixed-valent cubic cobalt-imidazolate cages Chemical Communications, 2019
7114190	CIF	H412 K22 Mo80 Na6 O536 S12 V22	P 42/n c m :2	38.8088; 38.8088; 32.9877 90; 90; 90	49684	Müller, Achim; Botar, Bogdan; Bögge, Hartmut; Kögerler, Paul; Berkle, Alois A potassium selective 'nanosponge' with well defined pores Chemical Communications, 2002, 2944-2945
7035511	CIF	C307.5 H516.1 Cl8 N118.5 O63.8 Zn10	R -3 m :H	28.764; 28.764; 69.369 90; 90; 120	49704	Schmieder, Phillip; Grzywa, Maciej; Denysenko, Dmytro; Hambach, Manuel; Volkmer, Dirk CFA-7: an interpenetrated metal-organic framework of the MFU-4 family. Dalton transactions (Cambridge, England : 2003), 2015, 44, 13060-13070
4003365	CIF	C276 H180 Cu24 N24 O144	I 4/m	32.5662; 32.5662; 46.87 90; 90; 90	49708	Barreda, Omar; Taggart, Garrett A.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D. Mechanochemical Synthesis of Porous Molecular Assemblies Chemistry of Materials, 2018, 30, 3975
4121437	CIF	C184 H152 Ag8 B8 F32 N32	R 3 2 :H	35.408; 35.408; 45.801 90; 90; 120	49729	Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R. Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures. Journal of the American Chemical Society, 2014, 136, 3972-3980
7062799	CIF	C20 H14 Co In N4 O8	F d -3 c :2	36.778; 36.778; 36.778 90; 90; 90	49747	Abbas, Muhammad; Marti, Anne M.; Umer, Arslan; Joy, Monu; Yang, Ya-Ching; Wang, Sue-Lein; Balkus, Kenneth J. Encapsulation of cobaltocenium ions in a zeolite-like metal–organic framework New Journal of Chemistry, 2023, 47, 21159-21167
4129522	CIF	C240.5 H259 Cl2 Cu25 P12	P b c a	33.3092; 38.3322; 38.9657 90; 90; 90	49752	Nguyen, Thuy-Ai D; Jones, Zachary R.; Goldsmith, Bryan R.; Buratto, William R.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W. A Cu25 Nanocluster with Partial Cu(0) Character. Journal of the American Chemical Society, 2015, 137, 13319-13324
4348857	CIF	C26 H16 Co N10 S2	F m -3 m	36.793; 36.793; 36.793 90; 90; 90	49808	Ning, Guo-Hong; Tian, Bingbing; Tan, Li-Min; Ding, Zijing; Herng, Tun Seng; Ding, Jun; Loh, Kian Ping Networked Spin Cages: Tunable Magnetism and Lithium Ion Storage via Modulation of Spin-Electron Interactions. Inorganic chemistry, 2016, 55, 9892-9897
4509487	CIF	C321 H228 Ag8 F48 N12 O6 S18 Sb8	R -3 c :H	27.305; 27.305; 77.304 90; 90; 120	49913	Sun, Yan-Qiong; Yang, Chen; Xu, Zhengtao; Zeller, Matthias; Hunter, Allen D. Networks of Hexagonal Hierarchy from a Self-Similar Tritopic Molecule Crystal Growth & Design, 2009, 9, 1663
4348834	CIF	C120 H12 Au12 F72 N24	F d -3 c :2	36.823; 36.823; 36.823 90; 90; 90	49930	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
7118608	CIF	C1401 H1152 B16 N125 O181 P32 Pt16 S32	P c c n	31.68; 38.34; 41.12 90; 90; 90	49945	Kaloudi-Chantzea, Antonia; Martinou, Elisabeth; Seintis, Kostas; Karakostas, Nikolaos; Giastas, Petros; Pitterl, Florian; Oberacher, Herbert; Fakis, Mihalis; Pistolis, George Formation of a highly-ordered rigid multichromophoric 3D supramolecular network by combining ionic and coordination-driven self-assembly. Chemical communications (Cambridge, England), 2016, 52, 3388-3391
4340352	CIF	C336 H312 Cl2 Fe24 N16 O72 S28	P 1 21/c 1	31.879; 36.385; 45.373 90; 108.367; 90	49948	Tan, Huaqiao; Du, Shangchao; Bi, Yanfeng; Liao, Wuping Two Elongated Octahedral Coordination Cages Constructed by M4-TC4A Secondary Building Units (M = Co(II) and Fe(II)) and 2,2'-Bipyridine-4,4'-dicarboxylic Acids. Inorganic chemistry, 2014, 53, 7083-7085
7236575	CIF	C111.82 H58 In3 N8 O24	C 1 2/c 1	38.042; 47.94; 31.301 90; 118.75; 90	50048	Li, Qing; Xue, Dong-Xu; Zhang, Yu-Feng; Zhang, Zong-Hui; Gao, Ziwei; Bai, Junfeng A dual-functional indium‒organic framework towards organic pollutant decontamination via physically selective adsorption and chemical photodegradation Journal of Materials Chemistry A, 2017, 5, 14182
4128101	CIF	C68 H77 Co2 N4 O6	I -4 c 2	30.63; 30.63; 53.381 90; 90; 90	50082	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
4121439	CIF	C228 H214 Cu8 F48 N40 O3 P8	I 41/a :2	22.896; 22.896; 95.642 90; 90; 90	50138	Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R. Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures. Journal of the American Chemical Society, 2014, 136, 3972-3980
7025983	CIF	C64.5 H68 Li2 Nd O9.13 Si4	F d d d :2	29.533; 39.637; 42.832 90; 90; 90	50139	Lorenz, Volker; Blaurock, Steffen; Hrib, Cristian G.; Edelmann, Frank T. Encapsulation of cyclooctatetraenyl dianion in an unusual organic/inorganic lanthanide triple-decker sandwich complex. Dalton transactions (Cambridge, England : 2003), 2010, 39, 6629-6631
4117643	CIF	C216 H408 Ge24 N48 Se132 Sn36	P 1 21/c 1	37.1296; 36.288; 37.2869 90; 92.074; 90	50205.9	Yumei Lin; Werner Massa; Stefanie Dehnen "Zeoball" [Sn36Ge24Se132]24-: A Molecular Anion with Zeolite-Related Composition and Spherical Shape Journal of the American Chemical Society, 2012, 134, 4497-4500
4111575	CIF	C135 H174 N52.88 O53.75 Pd6	C 1 2/c 1	70.377; 17.181; 42.159 90; 99.9; 90	50217	Shohei Tashiro; Masahide Tominaga; Masaki Kawano; Bruno Therrien; Tomoji Ozeki; Makoto Fujita Sequence-Selective Recognition of Peptides within the Single Binding Pocket of a Self-Assembled Coordination Cage Journal of the American Chemical Society, 2005, 127, 4546-4547
7103334	CIF	C81 H49 Na0.5 O20.5 Zn4.75	I 41 2 2	32.4729; 32.4729; 47.6641 90; 90; 90	50261	Hou, Lei; Zhang, Jie-Peng; Chen, Xiao-Ming; Ng, Seik Weng Two highly-connected, chiral, porous coordination polymers featuring novel heptanuclear metal carboxylate clusters. Chemical communications (Cambridge, England), 2008, 4019-4021
1570893	CIF	C126 H126 Ni9 S18	R -3 c :H	28.916; 28.916; 69.42 90; 90; 120	50268	Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties. Nanoscale, 2024, 16, 4563-4570
7103335	CIF	C81 H49 K0.5 O20.5 Zn4.75	I 41 2 2	32.441; 32.441; 47.814 90; 90; 90	50320	Hou, Lei; Zhang, Jie-Peng; Chen, Xiao-Ming; Ng, Seik Weng Two highly-connected, chiral, porous coordination polymers featuring novel heptanuclear metal carboxylate clusters. Chemical communications (Cambridge, England), 2008, 4019-4021
4104219	CIF	C348 H412.4 N198 O111.2	P 1 21/c 1	44.283; 31.672; 37.209 90; 105.33; 90	50330	David Bardelang; Karol Banaszak; Hakim Karoui; Antal Rockenbauer; Mélanie Waite; Konstantin Udachin; John A. Ripmeester; Christopher I. Ratcliffe; Olivier Ouari; Paul Tordo Probing Cucurbituril Assemblies in Water with TEMPO-like Nitroxides: A Trinitroxide Supraradical with Spin-Spin Interactions Journal of the American Chemical Society, 2009, 131, 5402-5404
7116068	CIF	C328 H413 Cd24 N22 O131 Yb6	P 1 21/c 1	35.136; 29.045; 49.536 90; 94.13; 90	50421	Xiaoping Yang; Zongping Li; Shiqing Wang; Shaoming Huang; Desmond Schipper; Richard A. Jones Self-assembly of NIR luminescent 30-metal drum-like and 12-metal rectangular d-f nanoclusters with long-chain Schiff base ligands Chem.Commun., 2014, 50, 15569
8000393	CIF	C216 H180 Au Cu24 P12	P b c a	33.383; 38.6374; 39.1118 90; 90; 90	50448	Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters. The journal of physical chemistry letters, 2019, 10, 6124-6128
4305117	CIF	C88 H60 Cu4 O24	C 1 2/c 1	41.483; 41.783; 30.968 90; 109.895; 90	50473	Liqing Ma; Jeong Yong Lee; Jing Li; Wenbin Lin 3D Metal-Organic Frameworks Based on Elongated Tetracarboxylate Building Blocks for Hydrogen Storage Inorganic Chemistry, 2008, 47, 3955-3957
7125274	CIF	C130 H130 N10	P 43 3 2	36.9585; 36.9585; 36.9585 90; 90; 90	50483	Qiao, Bo; Liu, Yun; Lee, Semin; Pink, Maren; Flood, Amar H. A high-yield synthesis and acid-base response of phosphate-templated [3]rotaxanes. Chemical communications (Cambridge, England), 2016, 52, 13675-13678
4348832	CIF	C120 H12 Ag12 F72 N24	F d -3 c :2	36.963; 36.963; 36.963 90; 90; 90	50501	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
7215227	CIF	C88 H156 Cd2 N36 O20 Si	I a -3 d	36.97447; 36.97447; 36.97447 90; 90; 90	50548.2	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
4301652	CIF	C400 H144 Cu16 N0 O128	C 1 2/c 1	41.5112; 41.4556; 31.1677 90; 109.408; 90	50588	Shuting Wu; Liqing Ma; La-Sheng Long; Lan-Sun Zheng; Wenbin Lin Three-Dimensional Metal-Organic Frameworks Based on Functionalized Tetracarboxylate Linkers: Synthesis, Strucures, and Gas Sorption Studies Inorganic Chemistry, 2009, 48, 2436-2442
4108864	CIF	C88.66667 H107.33333 Fe2 P4 Si4	I 41/a :2	44.817; 44.817; 25.2047 90; 90; 90	50625	Paul Hamon; Frederic Justaud; Olivier Cador; Philippe Hapiot; Stéphane Rigaut; Loïc Toupet; Lahcène Ouahab; Harald Stueger; Jean-René Hamon; Claude Lapinte Redox-Active Organometallics: Magnetic and Electronic Couplings through Carbon-Silicon Hybrid Molecular Connectors Journal of the American Chemical Society, 2008, 130, 17372-17383
7123434	CIF	C54 H248 Mn12 N20 Na2 O196 P8 W38	C 1 2/c 1	38.5337; 27.5478; 47.9165 90; 95.5062; 90	50629.6	Liu, Zhiwei; Wang, Wei; Tang, Jinkui; Li, Weiqi; Yin, Weiye; Fang, Xikui Chain length effect in the functionalization of polyoxometalates with α,ω-alkyldiphosphonates Chemical Communications, 2019
4079805	CIF	C107.61 H103.36 Cl4.33 Fe6 In2 N3 O15.29	R -3	67.44; 67.44; 12.8588 90; 90; 120	50648	Raja, Muthukrishna; Iyer, Ratnasabapathy G.; Gwengo, Chengeto; Reger, Daniel L.; Pellechia, Perry J.; Smith, Mark D.; Pascui, Andrea E. Design, Synthesis, and Structural Characterization of a New Class of Ferrocene-Containing Heterometallic Triple-Stranded Helicates Organometallics, 2013, 32, 95
7235142	CIF	C313 H317 N24 O149.5 S16	P 1 21 1	33.621; 38.411; 40.234 90; 102.56; 90	50715	Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B. Supramolecular stacking in a high Z′ calix[8]arene‒porphyrin assembly CrystEngComm, 2020, 22, 14-17
7235143	CIF	C313 H317 N24 O77 S16	P 1 21 1	33.621; 38.411; 40.234 90; 102.56; 90	50715	Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B. Supramolecular stacking in a high Z′ calix[8]arene‒porphyrin assembly CrystEngComm, 2020, 22, 14-17
4341277	CIF	C96 H111 B3 O14 Zn3	I a -3 d	37.0156; 37.0156; 37.0156 90; 90; 90	50717	Wang, Xiaoqing; Yang, Jie; Zhang, Liangliang; Liu, Fuling; Dai, Fangna; Sun, Daofeng Synthesis of two triarylboron-functionalized metal-organic frameworks: in situ decarboxylic reaction, structure, photoluminescence, and gas adsorption properties. Inorganic chemistry, 2014, 53, 11206-11212
7209042	CIF	C130.17 H153.42 Br1.32 Cl3.25 Co N8 O11.08	P n -3 n :2	37.017; 37.017; 37.017 90; 90; 90	50723	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals CrystEngComm, 2013, 15, 1545
7100585	CIF	Fe7 H446 K23 Mo80 Na4 O546 S12 V15	P 42/n c m :2	39.1557; 39.1557; 33.086 90; 90; 90	50726	Paul Kogerler; Bogdan Botar; Ricardo Garcia-Serres; Craig Hill; Achim Muller Ferrimagnetically ordered nanosized polyoxomolybdate-based cluster spheres Chemical Communications, 2005
7107813	CIF	C134 H329 Ag34 F6 N O45 S26 W6	P -4 21 c	37.905; 37.905; 35.309 90; 90; 90	50732	Kun Zhou; Chao Qin; Hai-Bin Li; Li-Kai Yan; Xin-Long Wang; Guo-Gang Shan; Zhong-Min Su; Chuang Xu; Xiu-Li Wang Assembly of a luminescent core-shell nanocluster featuring a Ag34S26 shell and a W6O21^6-^ polyoxoanion core Chem.Commun., 2012, 48, 5844
7227487	CIF	C24 H45 N12 Ni2 O42 Si W11	R -3	49.6795; 49.6795; 23.7404 90; 90; 120	50743	Jiao, Yan-Qing; Li, Meng-Ting; Qin, Chao; Su, Zhong-Min A noncovalently connected metal‒organic framework assembled from a Ni(iii)-supported polyoxometalate‒imidazolate hybrid CrystEngComm, 2017, 19, 1721
7122189	CIF	C63 H101 N Na2 O64 S8 Y2	R -3 :H	47.5183; 47.5183; 25.9584 90; 90; 120	50761	Ling, Irene; Kumari, Harshita; Mirzamani, Marzieh; Sobolev, Alexandre N.; Garvey, Christopher J.; Atwood, Jerry L.; Raston, Colin L. Phase dependent structural perturbation of a robust multicomponent assembled icosahedral array. Chemical communications (Cambridge, England), 2018, 54, 10824-10827
7100586	CIF	Fe11 H454 K21 Mo80 Na2 O546 S12 V11	P 42/n c m :2	39.1698; 39.1698; 33.1093 90; 90; 90	50799	Paul Kogerler; Bogdan Botar; Ricardo Garcia-Serres; Craig Hill; Achim Muller Ferrimagnetically ordered nanosized polyoxomolybdate-based cluster spheres Chemical Communications, 2005
7116067	CIF	C328 H413 Cd24 N22 Nd6 O131	P 1 21/c 1	35.277; 29.064; 49.662 90; 93.81; 90	50805	Xiaoping Yang; Zongping Li; Shiqing Wang; Shaoming Huang; Desmond Schipper; Richard A. Jones Self-assembly of NIR luminescent 30-metal drum-like and 12-metal rectangular d-f nanoclusters with long-chain Schiff base ligands Chem.Commun., 2014, 50, 15569
4130455	CIF	C201 H123 Cl6 Co27.26 N144 O9	F m -3 c	37.0668; 37.0668; 37.0668 90; 90; 90	50928	Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R. Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks. Journal of the American Chemical Society, 2016, 138, 7161-7170
4130456	CIF	C192 H96 Cl6 Co27 N144 O48	F m -3 c	37.0728; 37.0728; 37.0728 90; 90; 90	50953	Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R. Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks. Journal of the American Chemical Society, 2016, 138, 7161-7170
7131497	CIF	C470.03 H676.06 N60 O40.68 P4	P 21 21 21	31.4137; 32.1377; 50.4723 90; 90; 90	50955	Zhao, Jie; Zhang, Wenyao; Zheng, Yayun; Wang, Yue; Yang, Dong Fluorescence "ON-OFF-ON" response in the formation of a tetrahedral anionocage and encapsulation of halogenated hydrocarbons. Chemical communications (Cambridge, England), 2023, 59, 5229-5232
4114131	CIF	C351.3 H555.9 Ba2 Cl12.5 N95.4 O110.1 Si16	C 1 2 1	46.662; 24.259; 45.111 90; 93.139; 90	50988	Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes Journal of the American Chemical Society, 2003, 125, 10830-10841
2101317	CIF Paper	Cs6 O36 W11	R -3 cr {rhombohedral axes}	37.097; 37.097; 37.097 90; 90; 90	51052.4	Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B, 1995, 51, 300-307
4309223	CIF	C108 H144 Hg10 P4 Se16	F -4 3 c	37.1143; 37.1143; 37.1143 90; 90; 90	51124	Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan Controlled Synthesis of Ternary II-II'-VI Nanoclusters and the Effects of Metal Ion Distribution on Their Spectral Properties Inorganic Chemistry, 2005, 44, 5447-5458
7209038	CIF	C136.33 H155.33 Cl0.17 Co N9 O13.33	P n -3 n :2	37.1172; 37.1172; 37.1172 90; 90; 90	51135.9	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals CrystEngComm, 2013, 15, 1545
4101271	CIF	C142.75 H171.5 Mn3.84 N45.5 O97.25 Pd6	P 1 21/c 1	24.3225; 45.7184; 46.6645 90; 99.5401; 90	51173	Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage. Journal of the American Chemical Society, 2006, 128, 6558-6559
1542987	CIF	C342 H428 Cd24 Cl7 N24 O128 Tb8	P n a 21	54.106; 27.127; 34.876 90; 90; 90	51189	Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming Anisotropic lanthanide-based nano-clusters for imaging applications. Faraday discussions, 2016, 191, 465
4349988	CIF	C42 H22 In3 O16	R -3 c :H	28.188; 28.188; 74.414 90; 90; 120	51205	Zhang, Jian-Wei; Ji, Wen-Juan; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Zhang, Xian-Ming; Qu, Peng; Zhai, Quan-Guo A superstable 3p-block metal‒organic framework platform towards prominent CO2 and C1/C2-hydrocarbon uptake and separation performance and strong Lewis acid catalysis for CO2 fixation Inorganic Chemistry Frontiers, 2019, 6, 813
7019594	CIF	H432 K12 Mo102 Na2 O555 S14 V	C 1 2/c 1	44.416; 26.5633; 44.703 90; 103.82; 90	51215.4	Botar, Bogdan; Ellern, Arkady; Kögerler, Paul Mapping the formation areas of giant molybdenum blue clusters: a spectroscopic study. Dalton transactions (Cambridge, England : 2003), 2012, 41, 8951-8959
4128102	CIF	C68 H77 Co2 N4 O6	I -4 c 2	31.034; 31.034; 53.217 90; 90; 90	51254	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
4126339	CIF	C96 H239 Br12 K2 O180.5 P2 Ta6 W18	P 41 21 2	23.985; 23.985; 89.175 90; 90; 90	51301	Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials. Journal of the American Chemical Society, 2017
4305118	CIF	C88 H60 O24 Zn4	C 1 2/c 1	41.812; 41.8148; 31.1563 90; 109.607; 90	51314	Liqing Ma; Jeong Yong Lee; Jing Li; Wenbin Lin 3D Metal-Organic Frameworks Based on Elongated Tetracarboxylate Building Blocks for Hydrogen Storage Inorganic Chemistry, 2008, 47, 3955-3957
4079804	CIF	C101.36 H87.69 Cl6.39 Fe6 Ga2 N3 O13.56	R -3	68.226; 68.226; 12.7521 90; 90; 120	51406	Raja, Muthukrishna; Iyer, Ratnasabapathy G.; Gwengo, Chengeto; Reger, Daniel L.; Pellechia, Perry J.; Smith, Mark D.; Pascui, Andrea E. Design, Synthesis, and Structural Characterization of a New Class of Ferrocene-Containing Heterometallic Triple-Stranded Helicates Organometallics, 2013, 32, 95
4506122	CIF	C56 H48 Cl12 N4 O18 Rh2	I 2 3	37.1893; 37.1893; 37.1893 90; 90; 90	51434.4	Lindsay, Vincent N. G.; Charette, André B. Design and Synthesis of Chiral Heteroleptic Rhodium(II) Carboxylate Catalysts: Experimental Investigation of Halogen Bond Rigidification Effects in Asymmetric Cyclopropanation ACS Catalysis, 2012, 2, 1221
4301924	CIF	C66 H138 Br6 Cl Fe6 N6 Na O54	I a -3 d	37.1998; 37.1998; 37.1998 90; 90; 90	51478	Norihisa Hoshino; Ayuk M. Ako; Annie K. Powell; Hiroki Oshio Molecular Magnets Containing Wheel Motifs Inorganic Chemistry, 2009, 48, 3396-3407
4130101	CIF	C216 H96 Cl6 Fe27 N144 O24	F m -3 c	37.2012; 37.2012; 37.2012 90; 90; 90	51484	Reed, Douglas A.; Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Herm, Zoey R.; Grandjean, Fernande; Long, Jeffrey R. Reversible CO Scavenging via Adsorbate-Dependent Spin State Transitions in an Iron(II)-Triazolate Metal-Organic Framework. Journal of the American Chemical Society, 2016, 138, 5594-5602
7115674	CIF	C63.5 H127 Ag10 Cl7 N20 S20 Sn10	I 41/a :2	30.8293; 30.8293; 54.2835 90; 90; 90	51593.5	Jens P. Eussner; Stefanie Dehnen Bronze, silver and gold: functionalized group 11 organotin sulfide clusters Chem.Commun., 2014, 50, 11385
4302975	CIF	C42 H24 Cu3 O15	F 4 3 2	37.23; 37.23; 37.23 90; 90; 90	51603	Xi-Sen Wang; Shengqian Ma; Daqiang Yuan; Ji Woong Yoon; Young Kyu Hwang; Jong-San Chang; Xiaoping Wang; Mads Ry Jørgensen; Yu-Sheng Chen; Hong-Cai Zhou A Large-Surface-Area Boracite-Network-Topology Porous MOF Constructed from a Conjugated Ligand Exhibiting a High Hydrogen Uptake Capacity Inorganic Chemistry, 2009, 48, 7519-7521
7209044	CIF	C128 H146 Cl2 Co N8 O10	P n -3 n :2	37.23; 37.23; 37.23 90; 90; 90	51603	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals CrystEngComm, 2013, 15, 1545
7014504	CIF	C252 H112 Mn8 O16 S16	F d d 2	56.211; 29.8431; 30.793 90; 90; 90	51656	Bi, Yanfeng; Liao, Wuping; Wang, Xiaofei; Wang, Xinwu; Zhang, Hongjie Mn(4)-hinged bithiacalix[4]arenes accommodating fullerenes. Dalton transactions (Cambridge, England : 2003), 2011, 40, 1849-1851
4133064	CIF	C150 H225 Ag7.85 Au15.15 S15	R -3 c :H	28.5598; 28.5598; 73.154 90; 90; 120	51675	Li, Yingwei; Luo, Tian-Yi; Zhou, Meng; Song, Yongbo; Rosi, Nathaniel L.; Jin, Rongchao A Correlated Series of Au/Ag Nanoclusters Revealing the Evolutionary Patterns of Asymmetric Ag Doping. Journal of the American Chemical Society, 2018, 140, 14235-14243
4320293	CIF	C236 H236 Ga4 K4 N19 O36	F d d 2	46.011; 57.883; 19.405 90; 90; 90	51680	Darren W. Johnson; Kenneth N. Raymond The Self-Assembly of a [Ga4L6]12- Tetrahedral Cluster Thermodynamically Driven by Host-Guest Interactions Inorganic Chemistry, 2001, 40, 5157-5161
4125264	CIF	C54 H84 F N5 O2	R -3 :H	36.1165; 36.1165; 45.7915 90; 90; 120	51728.1	Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power. Journal of the American Chemical Society, 2016, 138, 13314
7247158	CIF	C54 H84 F N5 O2	R -3 :H	36.1165; 36.1165; 45.7915 90; 90; 120	51728.1	Zhang, Ying; Sun, Chi-Yu; Lin, Lin Coordination-directed self-assembly of nano-cages: metal ion-change, ligand-extending, shape-control and transdermal drug delivery RSC Advances, 2023, 13, 23396-23401
7127559	CIF	C430 H458 N80 O74 S9	P 1 21/c 1	39.9797; 39.0226; 35.4973 90; 110.728; 90	51795.1	Pramanik, Susnata; Kauffmann, Brice; Hecht, Stefan; Ferrand, Yann; Huc, Ivan Light-mediated chiroptical switching of an achiral foldamer host in presence of a carbohydrate guest. Chemical communications (Cambridge, England), 2021, 57, 93-96
7209041	CIF	C130.83 H155.08 Br0.88 Cl4.25 Co N8 O11.42	P n -3 n :2	37.2791; 37.2791; 37.2791 90; 90; 90	51807.9	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals CrystEngComm, 2013, 15, 1545
4338619	CIF	C341 H387 Mn14 N150 O57	R -3 c :H	33.681; 33.681; 52.778 90; 90; 120	51851	Anwar, Muhammad Usman; Lan, Yanhua; Beltran, Lianne M. C.; Clérac, Rodolphe; Pfirrmann, Sven; Anson, Christopher E.; Powell, Annie K. In Situ Ligand Transformation in the Synthesis of Manganese Complexes: Mono-, Tri- and a Barrel-shaped Tetradeca-nuclear Mn^II^~14~ Aggregate Inorganic Chemistry, 2009, 48, 5177-5186
7021266	CIF	C420 H334 Cl24 Cu12 N90 O98	P 1 21/n 1	29.779; 38.677; 45.44 90; 97.798; 90	51852	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
4335869	CIF	C71 H95.5 Mn3 N1.5 O16 S6	C 2 2 21	18.515; 57.377; 48.822 90; 90; 90	51865	Lyndsey D. Earl; Brian O. Patrick; Michael O. Wolf Synthesis, Structure, and Magnetic Properties of Bithiophene- and Terthiophene-Linked Manganese Metal-Organic Frameworks Inorganic Chemistry, 2013, 52, 10021-10030
1515861	CIF	C32 H138 Cu4 F4 N12 O33	F -4 3 c	37.295; 37.295; 37.295 90; 90; 90	51874	Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry Chemical Science, 2010, 1, 62
4316213	CIF	C108 H144 Cd4 Mn6 P4 Se16	F -4 3 c	37.295; 37.295; 37.295 90; 90; 90	51874	Andreas Eichhöfer; Oliver Hampe; Sergei Lebedkin; Florian Weigend Bistrimethylsilylamide Transition-Metal Complexes as Starting Reagents in the Synthesis of Ternary Cd-Mn-Se Cluster Complexes Inorganic Chemistry, 2010, 49, 7331-7339
1548044	CIF	C209 H369 Co Cr14 F16 N5 Ni2 O77 Ru2	P 61 2 2	24.8796; 24.8796; 96.7732 90; 90; 120	51876.7	Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny A modular design of molecular qubits to implement universal quantum gates Nature Communications, 2016, 7, 11377
4101270	CIF	C142.75 H171 Mn3.85 N45.75 O101.25 Pd6	P 1 21/c 1	24.3311; 46.3186; 46.72 90; 99.6656; 90	51905	Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage. Journal of the American Chemical Society, 2006, 128, 6558-6559
4301923	CIF	C66 H124 Br6 Cl2 Fe7 N6 O47	I a -3 d	37.3339; 37.3339; 37.3339 90; 90; 90	52037	Norihisa Hoshino; Ayuk M. Ako; Annie K. Powell; Hiroki Oshio Molecular Magnets Containing Wheel Motifs Inorganic Chemistry, 2009, 48, 3396-3407
1546259	CIF	C536 H464 Ag50 Cl4 F36 O40 P12 Sb6	P 1 21/c 1	26.6041; 34.2294; 57.2156 90; 92.508; 90	52053	Yuan, Shang-Fu; Li, Pei; Tang, Qing; Wan, Xian-Kai; Nan, Zi-Ang; Jiang, De-en; Wang, Quan-Ming Alkynyl-protected silver nanoclusters featuring an anticuboctahedral kernel Nanoscale, 2017
7129917	CIF	C112 H249.64 N50 O112.32 P9	C 2 2 21	26.9; 36.4; 53.2 90; 90; 90	52091	Saridakis, Emmanuel; Kasimati, Eleni Marina; Yannakopoulou, Konstantina; Mavridis, Irene M. A guanidino-γ-cyclodextrin superdimer generates a twin receptor for phosphate dimers assembled by anti-electrostatic hydrogen bonds Chemical Communications, 2022
4124889	CIF	C49 H89 N13 O12 Si	C 1 c 1	39.3342; 18.0326; 73.883 90; 96.068; 90	52111	Jones, Jennifer E.; Diemer, Vincent; Adam, Catherine; Raftery, James; Ruscoe, Rebecca E.; Sengel, Jason T.; Wallace, Mark I.; Bader, Antoine; Cockroft, Scott L.; Clayden, Jonathan; Webb, Simon J. Length-Dependent Formation of Transmembrane Pores by 310-Helical α-Aminoisobutyric Acid Foldamers. Journal of the American Chemical Society, 2016, 138, 688-695
4350067	CIF	C152 H52 Cl0 N12 O0 Tb	R -3 :H	37.4445; 37.4445; 42.9264 90; 90; 120	52123.2	Yang, Liguo; Wang, Xin; Zhu, Mengliang; Xiao, Tongtong; Ouyang, Zhongwen; Bian, Yongzhong; Wang, Zhenxing; Jiang, Jianzhuang Ferromagnetic coupling between 4f- and delocalized π-radical spins in mixed (phthalocyaninato)(porphyrinato) rare earth double-decker SMMs Inorganic Chemistry Frontiers, 2019, 6, 2142
7032102	CIF	C460.34 H391.51 F96 Fe8 N110.17 O94.5 S32	P 1 21/c 1	44.5214; 27.5022; 46.4109 90; 113.394; 90	52155.8	Ferguson, Alan; Staniland, Robert W.; Fitchett, Christopher M.; Squire, Marie A.; Williamson, Bryce E.; Kruger, Paul E. Variation of guest selectivity within [Fe4L4](8+) tetrahedral cages through subtle modification of the face-capping ligand. Dalton transactions (Cambridge, England : 2003), 2014, 43, 14550-14553
7209045	CIF	C130.5 H154.25 Cl5.02 Co N8 O11.25	P n -3 n :2	37.365; 37.365; 37.365 90; 90; 90	52167	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals CrystEngComm, 2013, 15, 1545
7711919	CIF	C192 H155 Cl4 O41 Zr12	P b c a	38.4705; 42.4265; 31.9924 90; 90; 90	52217	Sullivan, Meghan G.; Sokolow, Gregory E.; Jensen, Eric T.; Crawley, Matthew R.; MacMillan, Samantha N.; Cook, Timothy R. Altering the solubility of metal-organic polyhedra <i>via</i> pendant functionalization of Cp<sub>3</sub>Zr<sub>3</sub>O(OH)<sub>3</sub> nodes. Dalton transactions (Cambridge, England : 2003), 2023, 52, 338-346
7707117	CIF	C318 H366 Co30 N30 O90 S24	P a -3	37.3887; 37.3887; 37.3887 90; 90; 90	52266.2	Zhang, Kai; Du, Shao-Wu A novel series of giant cobalt-calixarene macrocycles: ring-expansion and modulation of pore apertures through recrystallization. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6181-6187
7209049	CIF	C152.5 H176.5 Co N11.5 O8.5	P n -3 n :2	37.3922; 37.3922; 37.3922 90; 90; 90	52280.9	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals CrystEngComm, 2013, 15, 1545
7110011	CIF	C30 H20 Fe N6 Se2	F m -3 m	37.4018; 37.4018; 37.4018 90; 90; 90	52321.2	Feng Shao; Jia Li; Jia-Ping Tong; Jian Zhang; Ming-Guang Chen; Zhiping Zheng; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao A boracite metal-organic framework displaying selective gas sorption and guest-dependent spin-crossover behaviour Chem.Commun., 2013, 49, 10730
4105743	CIF	C220 H296 B4 Co4 F24 Fe4 N52 O4 P4	C 1 2/c 1	49.4505; 38.6559; 29.9596 90; 113.884; 90	52365	Masayuki Nihei; Yoshihiro Sekine; Naoki Suganami; Kento Nakazawa; Akiko Nakao; Hironori Nakao; Youichi Murakami; Hiroki Oshio Controlled Intramolecular Electron Transfers in Cyanide-Bridged Molecular Squares by Chemical Modifications and External Stimuli Journal of the American Chemical Society, 2011, 133, 3592-3600
4130452	CIF	C264 H264 Cl6 Co24 N168 O24	F m -3 c	37.4139; 37.4139; 37.4139 90; 90; 90	52372	Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R. Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks. Journal of the American Chemical Society, 2016, 138, 7161-7170
7218909	CIF	C276 H198 N42 O86 Zn23	R -3 c :H	26.655; 26.655; 85.13 90; 90; 120	52381	He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties CrystEngComm, 2015, 17, 1201
7247569	CIF	C45 H69 Cu3 N6 O19 P	F 41 3 2	37.4254; 37.4254; 37.4254 90; 90; 90	52420.3	Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties CrystEngComm, 2023, 25, 6132-6136
1548395	CIF	Bi9 Mn5.571 O20.143	P 1	27.72; 27.72; 78.8 90; 90; 120	52437.7	Li, Leigang; Boullay, Philippe; Lu, Ping; Wang, Xuejing; Jian, Jie; Huang, Jijie; Gao, Xingyao; Misra, Shikhar; Zhang, Wenrui; Perez, Olivier; Steciuk, Gwladys; Chen, Aiping; Zhang, Xinghang; Wang, Haiyan Novel Layered Supercell Structure from Bi2AlMnO6 for Multifunctionalities. Nano letters, 2017, 17, 6575-6582
7110010	CIF	C30 H20 Fe N6 S2	F m -3 m	37.4447; 37.4447; 37.4447 90; 90; 90	52501.4	Feng Shao; Jia Li; Jia-Ping Tong; Jian Zhang; Ming-Guang Chen; Zhiping Zheng; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao A boracite metal-organic framework displaying selective gas sorption and guest-dependent spin-crossover behaviour Chem.Commun., 2013, 49, 10730
1545536	CIF	C205.5 H135.5 Ca6.25 N32 O82.5	P b c a	34.859; 29.286; 51.432 90; 90; 90	52506	Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers Chem. Sci., 2017, 8, 3741
7209043	CIF	C132 H157 Co N9 O8	P n -3 n :2	37.458; 37.458; 37.458 90; 90; 90	52557	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals CrystEngComm, 2013, 15, 1545
1508096	CIF	C26 H16 Co N10 S2	F m -3 m	37.461; 37.461; 37.461 90; 90; 90	52570	Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto Networked molecular cages as crystalline sponges for fullerenes and other guests. Nature chemistry, 2010, 2, 780-783
7117333	CIF	C24 H256 Cl14 Gd24 O217 Zn4	F m -3 m	37.4763; 37.4763; 37.4763 90; 90; 90	52634.5	Xiu-Ying Zheng; Shi-Qiang Wang; Wen Tang; Gui-Lin Zhuang; Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Lan-Sun Zheng Two nanosized 3d-4f clusters featuring four Ln6 octahedra encapsulating a Zn4 tetrahedron Chem.Commun., 2015, 51, 10687
7125946	CIF	C396 H378 N48 O78 Pd6 S12	R -3 :H	29.802; 29.802; 68.496 90; 90; 120	52685	Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang Molecular balloon, Pd<sub>6</sub>L<sub>8</sub> cages: recognition of alkyl sulfate surfactants. Chemical communications (Cambridge, England), 2020, 56, 2841-2844
7209050	CIF	C132 H155 Cl3 Co N9 O9	P n -3 n :2	37.4908; 37.4908; 37.4908 90; 90; 90	52695.6	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals CrystEngComm, 2013, 15, 1545
7209036	CIF	C141.17 H156.92 Cl7.75 Co N10 O8.58	P n -3 n :2	37.4921; 37.4921; 37.4921 90; 90; 90	52701	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals CrystEngComm, 2013, 15, 1545
7125948	CIF	C420 H426 N48 O78 Pd6 S12	R -3 :H	29.879; 29.879; 68.309 90; 90; 120	52813	Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang Molecular balloon, Pd<sub>6</sub>L<sub>8</sub> cages: recognition of alkyl sulfate surfactants. Chemical communications (Cambridge, England), 2020, 56, 2841-2844
4335428	CIF	C276 H208.48 Ag4 I4 N4 O4 P12	C 1 2/c 1	69.8512; 19.7868; 38.2622 90; 92.882; 90	52817	Sang Ho Lim; Seth M. Cohen Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates Inorganic Chemistry, 2013, 52, 7862-7872
7209037	CIF	C147.33 H174.33 Cl10.08 Co N9 O11.33	P n -3 n :2	37.5208; 37.5208; 37.5208 90; 90; 90	52822.2	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals CrystEngComm, 2013, 15, 1545
7104536	CIF	H426 K34 O549 S13 V32 W72	C m c a	35.3141; 38.768; 38.5949 90; 90; 90	52839	Todea, Ana Maria; Merca, Alice; Bögge, Hartmut; Glaser, Thorsten; Engelhardt, Larry; Prozorov, Ruslan; Luban, Marshall; Müller, Achim Polyoxotungstates now also with pentagonal units: supramolecular chemistry and tuning of magnetic exchange in {(M)M5}12V30 Keplerates (M = Mo, W). Chemical communications (Cambridge, England), 2009, 34, 3351-3353
7238763	CIF	C120 H90 Co6.5 N3 O29	R -3 :H	36.82; 36.82; 45.036 90; 90; 120	52876	Yoon, Jung Hee; Kim, Dongwook; Song, Xiaokai; Han, Seungwan; Shin, Jiho; Hong, Suk Bong; Lah, Myoung Soo Microporous metal‒organic framework containing cages with adjustable portal dimensions for adsorptive CO2 separation RSC Advances, 2012, 2, 11566
4132812	CIF	C48 H96 Cl3 K3 O168 Zr36	I -4 3 m	37.539; 37.539; 37.539 90; 90; 90	52899	Choi, Jong In; Chun, Hyungphil; Lah, Myoung Soo Zirconium-Formate Macrocycles and Supercage: Molecular Packing versus MOF-like Network for Water Vapor Sorption. Journal of the American Chemical Society, 2018, 140, 10915-10920
4508351	CIF	C108 H204 F90 N24 O12 P15	F d -3 m	37.5461; 37.5461; 37.5461 90; 90; 90	52929.1	Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids Crystal Growth & Design, 2013, 13, 4615
7209039	CIF	C169.08 H215.58 Co N9 O20.75	P n -3 n :2	37.5512; 37.5512; 37.5512 90; 90; 90	52950.7	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals CrystEngComm, 2013, 15, 1545
4337038	CIF	C168 H132 Cl4 O40 Zr12	F -4 3 m	37.5532; 37.5532; 37.5532 90; 90; 90	52959	Guoliang Liu; Zhanfeng Ju; Daqiang Yuan; Maochun Hong In Situ Construction of a Coordination Zirconocene Tetrahedron Inorganic Chemistry, 2013, 52, 13815-13817
7126982	CIF	H129 La9 O240 Si3 W44	F m -3 c	37.5612; 37.5612; 37.5612 90; 90; 90	52993	Liu, Jin-Hua; Lin, Li-Dan; Wang, Guo-Qiang; Li, Ling-Yun; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian All-inorganic open frameworks based on gigantic four-shell Ln@W<sub>8</sub>@Ln<sub>8</sub>@(SiW<sub>12</sub>)<sub>6</sub> clusters. Chemical communications (Cambridge, England), 2020, 56, 10305-10308
7034707	CIF	C69 H108 Cu8 N8 O29	P n -3 n	37.5708; 37.5708; 37.5708 90; 90; 90	53033.6	Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K. Turning a "useless" ligand into a "useful" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes. Dalton transactions (Cambridge, England : 2003), 2015, 44, 10177-10187
7209047	CIF	C135.5 H157.17 Co N12 O8.75	P n -3 n :2	37.5719; 37.5719; 37.5719 90; 90; 90	53038	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals CrystEngComm, 2013, 15, 1545
7115177	CIF	H480 Mo75 Na30 O550 S10 V20	C 1 2/c 1	47.065; 43.157; 26.9461 90; 104.262; 90	53046	Müller, Achim; Koop, Michael; Bögge, Hartmut; Schmidtmann, Marc; Peters, Frank; Kögerler, Paul Building blocks as disposition in solution: [{MoVIO3(H2O)}10{VIVO(H2O)}20{(MoVI/MoVI5O21)(H2O)3}10({MoVIO2(H2O)2}5/2)2 ({NaSO4}5)2]20−, a giant spherical cluster with unusual structural features of interest for supramolecular and magneto chemistry Chemical Communications, 1999, 1885
7100077	CIF	H422 K26 Mo72 Na8 O542 S12 V31	C 1 2/c 1	47.177; 42.46; 26.4971 90; 90.134; 90	53078	Botar, Bogdan; Kögerler, Paul; Hill, Craig L. [{(Mo)Mo5O21(H2O)3(SO4)}12(VO)30(H2O)20]36-: A molecular quantum spin icosidodecahedron. Chemical communications (Cambridge, England), 2005, 3138-3140
7246245	CIF	C120 H48 B12 Fe6 N36 O68 Zr6	F m -3 m	37.5848; 37.5848; 37.5848 90; 90; 90	53092.9	Shetty, Suchetha; Idrees, Karam B.; Xie, Haomiao; Alameddine, Bassam; Farha, Omar K. Synthesis of zirconium-based metal–organic frameworks with iron(ii) clathrochelate ligands CrystEngComm, 2023, 25, 1550-1555
7209048	CIF	C144.5 H184.25 Cl9.75 Co N12 O15.25	P n -3 n :2	37.603; 37.603; 37.603 90; 90; 90	53170	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals CrystEngComm, 2013, 15, 1545
7209040	CIF	C130.83 H150.25 Br2 Cl4.25 Co N8 O9.42	P n -3 n :2	37.627; 37.627; 37.627 90; 90; 90	53272	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals CrystEngComm, 2013, 15, 1545
7014505	CIF	C262 H112 Mn8 O16 S16	F d d 2	57.682; 30.0183; 30.768 90; 90; 90	53275	Bi, Yanfeng; Liao, Wuping; Wang, Xiaofei; Wang, Xinwu; Zhang, Hongjie Mn(4)-hinged bithiacalix[4]arenes accommodating fullerenes. Dalton transactions (Cambridge, England : 2003), 2011, 40, 1849-1851
1542986	CIF	C342 H428 Cd24 Cl7 N24 Nd8 O128	P n a 21	54.734; 27.619; 35.243 90; 90; 90	53277	Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming Anisotropic lanthanide-based nano-clusters for imaging applications. Faraday discussions, 2016, 191, 465
4116935	CIF HKL	C67 H79 Cl4 N9 O47.7	P 43 21 2	28.45; 28.45; 65.84 90; 90; 90	53291	Patrick J. Loll; Anthony E. Bevivino; Brian D. Korty; Paul H. Axelsen Simultaneous Recognition of a Carboxylate-Containing Ligand and an Intramolecular Surrogate Ligand in the Crystal Structure of an Asymmetric Vancomycin Dimer Journal of the American Chemical Society, 1997, 119, 1516-1522
7209046	CIF	C130 H157.17 Cl1.5 Co N8 O12.67	P n -3 n :2	37.6395; 37.6395; 37.6395 90; 90; 90	53325.1	Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals CrystEngComm, 2013, 15, 1545
1513864	CIF	C49.5 H36 N0 O19 Zn4	R -3 c :H	26.669; 26.669; 86.622 90; 90; 120	53355	Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption Chemical Science, 2014, 5, 1368
7248350	CIF	C185 H235 O42 Ti13	C 1 2/c 1	59.769; 25.6869; 37.7482 90; 112.768; 90	53438	Wang, Yanyan; Xiong, Ying; Liao, Wuping Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters CrystEngComm, 2024, 26, 2287-2296
4347526	CIF	C150 H141 B6 Co6 N18 O40 Zn4	R -3 :H	31.473; 31.473; 62.316 90; 90; 120	53457	Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands. Inorganic chemistry, 2016, 55, 4006-4015
4121526	CIF	C142 H88 Ir N40 O22 Pd1.5 Ru2	P 4/n :2	39.1799; 39.1799; 34.8255 90; 90; 90	53459.4	Li, Kang; Zhang, Lu-Yin; Yan, Cheng; Wei, Shi-Chao; Pan, Mei; Zhang, Li; Su, Cheng-Yong Stepwise Assembly of Pd6(RuL3)8 Nanoscale Rhombododecahedral Metal-Organic Cages via Metalloligand Strategy for Guest Trapping and Protection. Journal of the American Chemical Society, 2014, 136, 4456-4459
1507040	CIF	C118 H117 Cl N16 O18	R -3 :H	33.03; 33.03; 56.6 90; 90; 120	53477	Jiang, Hua; Léger, Jean-Michel; Guionneau, Philippe; Huc, Ivan Strained aromatic oligoamide macrocycles as new molecular clips. Organic letters, 2004, 6, 2985-2988
4132937	CIF	C600 H396 Cd12 F72 N84 O120 Rh12 S24	P n -3 :2	37.6891; 37.6891; 37.6891 90; 90; 90	53536	Rizzuto, Felix J.; Ramsay, William J.; Nitschke, Jonathan R. Otherwise Unstable Structures Self-Assemble in the Cavities of Cuboctahedral Coordination Cages. Journal of the American Chemical Society, 2018, 140, 11502-11509
4128237	CIF	C320 H261 Cl0 Mo36 N21 O125 P13	C 1 2 1	38.3334; 33.8624; 42.0755 90; 101.282; 90	53561.2	Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands. Journal of the American Chemical Society, 2019, 141, 7687-7692
4130453	CIF	C264 H264 Cl6 Co24 N168 O24	F m -3 c	37.7048; 37.7048; 37.7048 90; 90; 90	53603	Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R. Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks. Journal of the American Chemical Society, 2016, 138, 7161-7170
4519034	CIF	C40 H24 Fe3 N6 O14	I -4 3 d	37.708; 37.708; 37.708 90; 90; 90	53616.8	Zhang, Zong-Hui; Fang, Han; Xue, Dong-Xu; Bai, Junfeng Tuning Open Metal Site-Free <b>ncb</b> Type of Metal-Organic Frameworks for Simultaneously High Gravimetric and Volumetric Methane Storage Working Capacities. ACS applied materials & interfaces, 2021, 13, 44956-44963
4125031	CIF	C240 H0 I0 O28 Zn10	F -4 3 m	37.726; 37.726; 37.726 90; 90; 90	53694	Zhang, Qiongqiong; Zhang, Cankun; Cao, Lingyun; Wang, Zi; An, Bing; Lin, Zekai; Huang, Ruiyun; Zhang, Zhiming; Wang, Cheng; Lin, Wenbin Förster Energy Transport in Metal-Organic Frameworks Is Beyond Step-by-Step Hopping. Journal of the American Chemical Society, 2016, 138, 5308-5315
1566245	CIF	C342 H236 Bi38 N4 O178 Ti16	I 1 2/a 1	25.2403; 43.6932; 49.0721 90; 96.672; 90	53751.6	Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2 Chemical Science, 2022
7155997	CIF	C300 H324 N12	R -3 :H	24.68; 24.68; 101.978 90; 90; 120	53793	Wang, Xinchang; Peng, Pixian; Xuan, Wei; Wang, Yu; Zhuang, Yongbin; Tian, Zhongqun; Cao, Xiaoyu Narcissistic chiral self-sorting of molecular face-rotating polyhedra. Organic & biomolecular chemistry, 2017, 16, 34-37
4105532	CIF	C216 H180 B12 Cu6 F48 N54	I b a 2	31.7261; 56.9758; 29.7638 90; 90; 90	53802	Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion Journal of the American Chemical Society, 2011, 133, 858-870
4347523	CIF	C121 H83 B4 Br4 N13 O34 S2 Zn8	C 1 2/c 1	40.845; 42.367; 34.547 90; 115.816; 90	53816	Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands. Inorganic chemistry, 2016, 55, 4006-4015
4317311	CIF	C127 H141 Cl13 N10 O24 U3	I -4 3 d	37.759; 37.759; 37.759 90; 90; 90	53835	Massimo Cametti; Laura Ilander; Arto Valkonen; Martin Nieger; Maija Nissinen; Elisa Nauha; Kari Rissanen Non-Centrosymmetric Tetrameric Assemblies of Tetramethylammonium Halides with Uranyl Salophen Complexes in the Solid State Inorganic Chemistry, 2010, 49, 11473-11484
4101852	CIF	C152.25 H165.88 B4 N11.38 O5.38 Ru	F d d 2	61.18; 28.994; 30.362 90; 90; 90	53858	Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores Journal of the American Chemical Society, 2010, 132, 1706-1723
7106344	CIF	C162 H90 Co11 O60	C 1 2/c 1	45.386; 35.904; 33.184 90; 94.91; 90	53876	Philipp Wollmann; Matthias Leistner; Ulrich Stoeck; Ronny Grunker; Kristina Gedrich; Nicole Klein; Oliver Throl; Wulf Grahlert; Irena Senkovska; Frieder Dreisbach; Stefan Kaskel High-throughput discovery of porous materials Chem.Commun., 2011, 47, 5151
2019361	CIF	C188 H282 F12 N36 O58	R 3 2 :H	41.4764; 41.4764; 36.2358 90; 90; 120	53984.7	Llamas-Saiz, Antonio L.; Grotenbreg, Gijsbert M.; Overhand, Mark; van Raaij, Mark J. Double-stranded helical twisted β-sheet channels in crystals of gramicidin S grown in the presence of trifluoroacetic and hydrochloric acids Acta Crystallographica Section D Biological Crystallography, 2007, 63, 401-407
4318744	CIF	C72 H180 Cl4 Cu6 In8 P12 S13	I -4 2 d	38.2199; 38.2199; 36.9701 90; 90; 90	54004.5	Diem T. T. Tran; Lianne M. C. Beltran; Collin M. Kowalchuk; Nicholas R. Trefiak; Nicholas J. Taylor; John F. Corrigan Ternary Nanoclusters of CuHgS, CuHgSe, and CuInS Inorganic Chemistry, 2002, 41, 5693-5698
4106667	CIF	C212 H216 B8 F32 Fe4 N44 O40	P 1 21/n 1	32.3941; 47.504; 36.205 90; 104.098; 90	54036	Wenjing Meng; Jack K. Clegg; John D. Thoburn; Jonathan R. Nitschke Controlling the Transmission of Stereochemical Information through Space in Terphenyl-Edged Fe4L6 Cages Journal of the American Chemical Society, 2011, 133, 13652-13660
7109102	CIF	C16.25 H26.67 Cd N7.04 O2.6	I a -3 d	37.8124; 37.8124; 37.8124 90; 90; 90	54063.3	Yuan Wu; Xiao-Ping Zhou; Ju-Rong Yang; Dan Li Gyroidal metal-organic frameworks by solvothermal subcomponent self-assembly Chem.Commun., 2013, 49, 3413
7216448	CIF	C89 H105.2 N5 O42.6 S8	F d d d :2	26.6699; 37.3628; 54.356 90; 90; 90	54163.7	Lesniewska, B.; Perret, F.; Suwinska, K.; Coleman, A. W. Structural characterization of inclusion complexes of para-sulphonato-calix[8]arene with 1,2-bis(4-pyridyl)-ethane and 1,3-bis(4-pyridyl)-propane. New ‘double cone’ and ‘up‒flat‒down’ conformations of para-sulphonato-calix[8]arene CrystEngComm, 2014, 16, 4399
4071244	CIF	C56 H55 Fe3 O2 P3 S3	R -3 :H	49.621; 49.621; 25.425 90; 90; 120	54215.4	Mizuta, Tsutomu; Aotani, Tomoyuki; Imamura, Yuki; Kubo, Kazuyuki; Miyoshi, Katsuhiko Structure and Properties of the Macrocyclic Tridentate Ferrocenylphosphine Ligand (−PhPC5H4FeC5H4−)3 Organometallics, 2008, 27, 2457
7114208	CIF	C444 H620 Ag50 N4 O6 S51	C 1 2/c 1	36.486; 36.666; 40.702 90; 95.21; 90	54226	Tang, Kaluo; Xie, Xiangjin; Zhang, Yaohua; Zhao, Xia; Jin, Xianglin Synthesis and crystal structure of a novel pentaconta-nuclear silver anionic cluster complex [HNEt3]4[Ag50S7(SC6H4But-4)40]·2CS2·6C3H6O Chemical Communications, 2002, 1024
4339255	CIF	C48 H88 N8 Ni2 O34.625 P2	I 41/a c d :2	42.9658; 42.9658; 29.3862 90; 90; 90	54249	Ikotun, Oluwatayo F.; Armatus, N. Gabriel; Julve, Miguel; Kruger, Paul E.; Lloret, Francesc; Nieuwenhuyzen, Mark; Doyle, Robert P. Synthesis and structural and magnetic characterization of {[(phen)(2)Ni](2)(micro-P(2)O(7))} . 27H(2)O and {[(phen)(2)Mn](2)(micro-P(2)O(7))} . 13H(2)O: rare examples of coordination complexes with the pyrophosphate ligand. Inorganic chemistry, 2007, 46, 6668-6674
7020032	CIF	C202 H139 Gd14 N55 O67	C 1 2/c 1	69.52; 21.69; 38.66 90; 111.43; 90	54265	Chesman, Anthony S. R.; Turner, David R.; Moubaraki, Boujemaa; Murray, Keith S.; Deacon, Glen B.; Batten, Stuart R. Tetradecanuclear polycarbonatolanthanoid clusters: Diverse coordination modes of carbonate providing access to novel core geometries. Dalton transactions (Cambridge, England : 2003), 2012, 41, 10903-10909
7117334	CIF	C24 H216 Cl14 O197 Sm24 Zn4	F m -3 m	37.8651; 37.8651; 37.8651 90; 90; 90	54289.7	Xiu-Ying Zheng; Shi-Qiang Wang; Wen Tang; Gui-Lin Zhuang; Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Lan-Sun Zheng Two nanosized 3d-4f clusters featuring four Ln6 octahedra encapsulating a Zn4 tetrahedron Chem.Commun., 2015, 51, 10687
4325385	CIF	Ba15 O675 Rb29 U90	R 3 m :H	55.286; 55.286; 20.523 90; 90; 120	54325	Daniel K. Unruh; Jie Ling; Jie Qiu; Laura Pressprich; Melissa Baranay; Matthew Ward; Peter C. Burns Complex nanoscale Cage Clusters Built from Uranyl Polyhedra and Phosphate Tetrahedra Inorganic Chemistry, 2011, 50, 5509-5516
7120501	CIF	C496 H376 Cu24 N8 O224	I 4/m	35.309; 35.309; 43.609 90; 90; 90	54368	Bae, Jaeyeon; Baek, Kangkyun; Yuan, Daqiang; Kim, Wooram; Kim, Kimoon; Zhou, Hong-Cai; Park, Jinhee Reversible Photoreduction of Cu(II)-Coumarin Metal-Organic Polyhedra Chem. Commun., 2017
4333808	CIF	C240 H385.8 Cl2.1 Fe36 N55.9 O264 P44	C 1 2/c 1	43.6079; 28.7572; 50.5916 90; 120.999; 90	54383	Christine M. Beavers; Andrey V. Prosverin; John D. Cashion; Kim R. Dunbar; Anne F. Richards An Unprecedented Fe36 Phosphonate Cage Inorganic Chemistry, 2013, 52, 1670-1672
7112924	CIF	C49.5 H36 N0 O19 Zn4	R -3 c :H	26.918; 26.918; 86.67 90; 90; 120	54386	Liu, Tian-Fu; Lü, Jian; Lin, Xi; Cao, Rong Construction of a trigonal bipyramidal cage-based metal-organic framework with hydrophilic pore surface via flexible tetrapodal ligands. Chemical communications (Cambridge, England), 2010, 46, 8439-8441
4516211	CIF	C6 H9 K3 Mo8 O399 P12 Ta18 W90	P 1 21/n 1	39.8886; 24.9746; 57.2531 90; 107.529; 90	54387.2	Li, Shujun; Li, Gang; Ji, Panpan; Zhang, Jiangwei; Liu, Shuxia; Zhang, Jie; Chen, Xuenian A Giant Mo/Ta/W Ternary Mixed-Addenda Polyoxometalate with Efficient Photocatalytic Activity for Primary Amines Coupling. ACS applied materials & interfaces, 2019
7130834	CIF	C84 H342 Co12 Mo80 N24 O489 P36 Pb4	C 1 2/c 1	30.9076; 57.925; 32.2149 90; 109.355; 90	54415	Liu, Xiaodong; Xu, Na; Liu, Xiaohui; Guo, Yanyan; Wang, Xiuli Self-assembly of a novel multicomponent polyoxometalate-based tetrahedral supercluster with high catalytic activity for thioether oxidation Chemical Communications, 2022
4345226	CIF	C194 H167 Cl10 Eu4 N27 O91	P a -3	37.8968; 37.8968; 37.8968 90; 90; 90	54426.2	Vuillamy, Alexandra; Zebret, Soumaila; Besnard, Céline; Placide, Virginie; Petoud, Stéphane; Hamacek, Josef Functionalized Triptycene-Derived Tripodal Ligands: Privileged Formation of Tetranuclear Cage Assemblies with Larger Ln(III) Inorganic Chemistry, 2017
4133615	CIF	C270 H240 N105 O87.75 S30	P 21 21 2	100.02; 18.644; 29.23 90; 90; 90	54507	Liu, Bin; Pappas, Charalampos G.; Zangrando, Ennio; Demitri, Nicola; Chmielewski, Piotr J.; Otto, Sijbren Complex Molecules That Fold Like Proteins Can Emerge Spontaneously. Journal of the American Chemical Society, 2019, 141, 1685-1689
4126355	CIF	C408 H384 Cl18 N72 Nd8 O120	R -3 :H	27.279; 27.279; 84.656 90; 90; 120	54556	Li, Xiao-Zhen; Zhou, Li-Peng; Yan, Liang-Liang; Yuan, Da-Qiang; Lin, Chen-Sheng; Sun, Qing-Fu Evolution of Luminescent Supramolecular Lanthanide M2nL3n Complexes from Helicates and Tetrahedra to Cubes. Journal of the American Chemical Society, 2017, 139, 8237-8244
7047692	CIF	Cu14 H62 Na9 O195 Si4 Te10 W36	I -4 2 d	34.7169; 34.7169; 45.3651 90; 90; 90	54677	Chen, Wei-Chao; Wu, Si-Tong; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo An unprecedented {CuTe} core incorporated in a 36-tungsto-4-silicate polyoxometalate with visible light-driven catalytic hydrogen evolution activity. Dalton transactions (Cambridge, England : 2003), 2018, 47, 16403-16407
7115362	CIF	C50 H36 Gd3 N4 O23	I m -3	37.9569; 37.9569; 37.9569 90; 90; 90	54686	Bo Liu; Wei-Ping Wu; Lei Hou; Yao-Yu Wang Four uncommon nanocage-based Ln-MOFs: highly selective luminescent sensing for Cu2+ ions and selective CO2 capture Chem.Commun., 2014, 50, 8731
4128238	CIF	C280 H218 Mo36 N20 O126 P11	P 1 21/c 1	30.0613; 27.2811; 67.4589 90; 98.1644; 90	54762.7	Li, Chifeng; Mizuno, Noritaka; Yamaguchi, Kazuya; Suzuki, Kosuke Self-Assembly of Anionic Polyoxometalate-Organic Architectures Based on Lacunary Phosphomolybdates and Pyridyl Ligands. Journal of the American Chemical Society, 2019, 141, 7687-7692
4347520	CIF	C150 H141 B6 Co6 N18 O41 Zn4	R -3 m :H	31.837; 31.837; 62.41 90; 90; 120	54783	Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands. Inorganic chemistry, 2016, 55, 4006-4015
7115361	CIF	C50 H36 Eu3 N4 O23	I m -3	37.9826; 37.9826; 37.9826 90; 90; 90	54797	Bo Liu; Wei-Ping Wu; Lei Hou; Yao-Yu Wang Four uncommon nanocage-based Ln-MOFs: highly selective luminescent sensing for Cu2+ ions and selective CO2 capture Chem.Commun., 2014, 50, 8731
4112121	CIF	C144 H88 As2 B12 N12 O24.8	F d d d :2	20.066; 40.221; 67.924 90; 90; 90	54820	Tiejun Li; Satish S. Jalisatgi; Michael J. Bayer; Andreas Maderna; Saeed I. Khan; M. Frederick Hawthorne Organic Syntheses on an Icosahedral Borane Surface: Closomer Structures with Twelvefold Functionality Journal of the American Chemical Society, 2005, 127, 17832-17841
4103410	CIF	C180 Cl6 Mn6 N12 O38 Zn8	R 3 :H	29.585; 29.585; 72.4624 90; 90; 120	54927.1	Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes Journal of the American Chemical Society, 2010, 132, 15390-15398
7704870	CIF	C66 H100.2 Ca Cl2 Mn6 N6 O46.1	R -3 c :H	21.029; 21.029; 143.48 90; 90; 120	54949	Tziotzi, Thomais G.; Andreou, Evangelos K.; Tzanetou, Eirini; Kalofolias, Dimitris A.; Cutler, Daniel J.; Weselski, Marek; Siczek, Milosz; Lis, Tadeusz; Brechin, Euan K.; Milios, Constantinos J. The first amino acid bound manganese-calcium clusters: a {[MnCa]<sub>2</sub>} methylalanine complex, and a [MnCa] trigonal prism. Dalton transactions (Cambridge, England : 2003), 2020, 49, 10339-10343
1571175	CIF	C101 H132 Cu4 N4 O13	R -3 :H	51.7208; 51.7208; 23.7243 90; 90; 120	54961	Osei, Manasseh Kusi; Mirzaei, Saber; Mirzaei, M. Saeed; Valles, Agustin; Hernández Sánchez, Raúl Reversible dioxygen uptake at [Cu4] clusters Chemical Science, 2024, 15, 5327-5332
7207496	CIF	C72 H106 Au4 Cl2 Co2 N4 O19 P4 S4	F 2 3	38.0216; 38.0216; 38.0216 90; 90; 90	54965.6	Lee, Raeeun; Igashira-Kamiyama, Asako; Motoyoshi, Hiroki; Konno, Takumi Aggregation of chiral hexanuclear complex-cations into cationic metallosupramolecules with concomitant aggregation of inorganic counter-anions into anionic clusters CrystEngComm, 2012, 14, 1936
4344100	CIF	C72 H84 Au4 Co2 N6 O18 P4 S4	F 2 3	38.0279; 38.0279; 38.0279 90; 90; 90	54993	Yoshinari, Nobuto; Li, Chan; Lee, Raeeun; Kuwamura, Naoto; Igashira-Kamiyama, Asako; Konno, Takumi Chiral Scrambling and Independent Crystallization of d4, l4, and d2l2 Isomers of an Au(I)4Co(III)2 Hexanuclear Complex with Mixed Penicillaminate and Bis(diphenylphosphino)ethane. Inorganic chemistry, 2015, 54, 8881-8883
4100572	CIF	C166 H138 Cd17 N2 S30	C 1 2/c 1	30.075; 58.6144; 31.8999 90; 101.945; 90	55016.4	Journal of the American Chemical Society, 2005
4111893	CIF	C158 H138 Cd17 N4 S6 Se26	R -3 c :H	26.8981; 26.8981; 87.805 90; 90; 120	55017	Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng Crystalline Superlattices from Single-Sized Quantum Dots Journal of the American Chemical Society, 2005, 127, 11963-11965
7019964	CIF	C180 H244 Mn12 N18 O98 Yb6	R 3 2 :H	28.2738; 28.2738; 79.4732 90; 90; 120	55019.9	Zheng, Yong; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun Stepwise assembly of homochiral coordination polymers based on the precursor of an enantiopure Yb(3)Mn(6) cluster. Dalton transactions (Cambridge, England : 2003), 2012, 41, 10518-10520
7705129	CIF	C191 H159 Li16 N18 O43	C 1 2/c 1	34.215; 32.1745; 50.1707 90; 94.786; 90	55037.9	Houlihan, Joanna C. C.; Moratti, Stephen C.; Hanton, Lyall R. Formation of a robust, double-walled LiMOF from an L-shaped di-substituted N-heterocyclic adamantane-based ligand. Dalton transactions (Cambridge, England : 2003), 2020, 49, 12009-12017
7040585	CIF	C522 H700 Cu52 P8 S40	C 1 2/c 1	41.0006; 31.9188; 45.9429 90; 113.674; 90	55065.2	Bestgen, Sebastian; Fuhr, Olaf; Roesky, Peter W.; Fenske, Dieter Synthesis and molecular structure of a spheroidal binary nanoscale copper sulfide cluster. Dalton transactions (Cambridge, England : 2003), 2016, 45, 14907-14910
7043533	CIF	C52 H55 O5 P	I 21 3	38.0572; 38.0572; 38.0572 90; 90; 90	55120.2	Elaieb, Fethi; Sémeril, David; Matt, Dominique; Pfeffer, Michel; Bouit, Pierre-Antoine; Hissler, Muriel; Gourlaouen, Christophe; Harrowfield, Jack Calix[4]arene-fused phospholes Dalton Trans., 2017
1517077	CIF	C270.75 H371 Cd18 Cl8 N18 O105.92 Tb6	P -3	51.114; 51.114; 24.362 90; 90; 120	55122	Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J. FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications Faraday Discussions, 2014
1518679	CIF	C254 H317 Cd18 Cl8 N18 O92 Tb6	P -3	51.114; 51.114; 24.362 90; 90; 120	55122	Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan F.; Jones, Jessica N.; Swaminathan, Jagannath; Yang, Xiaoping; Schipper, Desmond; Hall, Justin W.; DePue, Lauren J.; Dieye, Yakhya; Vadivelu, Jamuna; Chandler, Don J.; Marcotte, Edward M.; Sessler, Jonathan L.; Ehrlich, Lauren I. R.; Brown, Katherine A. Lanthanide nano-drums: a new class of molecular nanoparticles for potential biomedical applications Faraday Discuss., 2014
1513726	CIF	K19 O223.5 P8 U31	P -4 21 c	41; 41; 32.818 90; 90; 90	55167	Qiu, Jie; Ling, Jie; Jouffret, Laurent; Thomas, Rebecca; Szymanowski, Jennifer E. S.; Burns, Peter C. Water-soluble multi-cage super tetrahedral uranyl peroxide phosphate clusters Chemical Science, 2014, 5, 303
4130102	CIF	C264 H240 Cl6 Fe27 N168 O24	F m -3 c	38.068; 38.068; 38.068 90; 90; 90	55167	Reed, Douglas A.; Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Herm, Zoey R.; Grandjean, Fernande; Long, Jeffrey R. Reversible CO Scavenging via Adsorbate-Dependent Spin State Transitions in an Iron(II)-Triazolate Metal-Organic Framework. Journal of the American Chemical Society, 2016, 138, 5594-5602
4130269	CIF	C118 H96 Ag2 Au6 B4 F16 N8 P6	C 1 2/c 1	59.465; 21.294; 47.96 90; 114.67; 90	55186	He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response. Journal of the American Chemical Society, 2016, 138, 5634-5643
7233662	CIF	C156 H134 Br4 Cd17 N2 S28	R -3 c :H	27.0806; 27.0806; 86.9594 90; 90; 120	55228.6	Jian-Bing Jiang; Peng Huo; Peng Wang; Yin-Yin Wu; Guo-Qing Bian; Qin-Yu Zhu; Jie Dai Synthesis and photocurrent responsive properties of CdS/Se clusters integrated with methylviologen Journal of Materials Chemistry C, 2014, 2, 2528-2533
1559956	CIF	C240 H270 Au38 Cd4 S30	P -1	35.243; 36.193; 46.321 78.898; 74.68; 79.183	55332	Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan Cd-driven surface reconstruction and photodynamics in gold nanoclusters Chemical Science, 2021, 12, 3290-3294
4103409	CIF	C192 Cl6 Mn6 N12 O38 Zn8	R 3 2 :H	29.6688; 29.6688; 72.7125 90; 90; 120	55429.3	Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes Journal of the American Chemical Society, 2010, 132, 15390-15398
1512261	CIF	C16 H88.8 Br N O26.4	C c c m	33.115; 33.158; 50.499 90; 90; 90	55449	Rodionova, Tatyana V.; Komarov, Vladislav Yu; Villevald, Galina V.; Karpova, Tamara D.; Kuratieva, Natalia V.; Manakov, Andrey Yu Calorimetric and structural studies of tetrabutylammonium bromide ionic clathrate hydrates. The journal of physical chemistry. B, 2013, 117, 10677-10685
7128912	CIF	C258 H300 F24 N24 O64 Rh8 S8	C 1 2/c 1	71.01; 16.0851; 49.267 90; 99.2; 90	55549	Wang, Qi-Li-Sha; Lin, Yue-Jian; Jin, Guo-Xin Same knot, longer rope: altering ligand geometry provides control over nuclearity in self-assembled trefoil knots. Chemical communications (Cambridge, England), 2021, 57, 9772-9775
1551402	CIF	C448 H415 B7 F6 Fe6 N40 O15 P	P b a m	35.1918; 47.1545; 33.4757 90; 90; 90	55551	David A. Leigh; Robin G. Pritchard; Alexander J. Stephens A Star of David catenane Nature Chemistry, 2013, 6, 978-982
4119912	CIF	C254 H317 Cd18 Cl8 Gd6 N18 O92	P -3	51.282; 51.282; 24.391 90; 90; 120	55551	Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures Journal of the American Chemical Society, 2013, 135, 8468-8471
1517080	CIF	C273.75 H384.5 Cd18 Cl8 Eu6 N18 O109.67	P -3	51.304; 51.304; 24.418 90; 90; 120	55660	Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J. FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications Faraday Discussions, 2014
1518678	CIF	C254 H317 Cd18 Cl8 Eu6 N18 O92	P -3	51.305; 51.305; 24.419 90; 90; 120	55664	Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan F.; Jones, Jessica N.; Swaminathan, Jagannath; Yang, Xiaoping; Schipper, Desmond; Hall, Justin W.; DePue, Lauren J.; Dieye, Yakhya; Vadivelu, Jamuna; Chandler, Don J.; Marcotte, Edward M.; Sessler, Jonathan L.; Ehrlich, Lauren I. R.; Brown, Katherine A. Lanthanide nano-drums: a new class of molecular nanoparticles for potential biomedical applications Faraday Discuss., 2014
4517683	CIF	C360 H210 Mo24 N24 O108	R -3 :H	40.7308; 40.7308; 38.796 90; 90; 120	55740	Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D. Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization. ACS applied materials & interfaces, 2020, 12, 24913-24919
4105068	CIF	Co10 H600 Mo88 Na10 O400	P 1 21/m 1	31.3199; 66.5281; 31.002 90; 120.28; 90	55784.5	Hiroyuki Imai; Tomoyuki Akutagawa; Fumito Kudo; Mitsuhiro Ito; Kazuhiro Toyoda; Shin-ichiro Noro; Leroy Cronin; Takayoshi Nakamura Structure, Magnetism, and Ionic Conductivity of the Gigantic {Mo176}-Wheel Assembly: Na15Fe3Co16[Mo176O528H3(H2O)80]Cl27.450H2O Journal of the American Chemical Society, 2009, 131, 13578-13579
4105436	CIF	C70.4 H50 Cd8 N28 Na8 O90.32	R -3 m :H	40.637; 40.637; 39.063 90; 90; 120	55865	Mohamed H. Alkordi; Jacilynn A. Brant; Lukasz Wojtas; Victor Ch. Kravtsov; Amy J. Cairns; Mohamed Eddaoudi Zeolite-likeMetal-Organic Frameworks (ZMOFs) Based on the Directed Assembly of Finite Metal-Organic Cubes (MOCs) Journal of the American Chemical Society, 2009, 131, 17753-17755
4133803	CIF	C396.2 H514 Au11.17 B12 Cl11.15 F58.26 N11.15 O12 P11.15 Sb9.71	C 1 c 1	45.6445; 29.7686; 41.2098 90; 93.5244; 90	55888.9	Stauber, Julia M.; Qian, Elaine Anne; Han, Yanxiao; Rheingold, Arnold L.; Král, Petr; Fujita, Daishi; Spokoyny, Alexander M. An Organometallic Strategy for Assembling Atomically Precise Hybrid Nanomaterials. Journal of the American Chemical Society, 2019
4135249	CIF	C216 H200 N24	F 2 2 2	32.3016; 34.0393; 50.8944 90; 90; 90	55960	Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory. Journal of the American Chemical Society, 2020, 142, 16223-16228
4132605	CIF	C450.5 H382.5 B16 F88 Fe8 N76	P 1 21/c 1	43.0969; 37.9996; 36.5407 90; 110.741; 90	55963.2	Roberts, Derrick A.; Pilgrim, Ben S.; Sirvinskaite, Giedre; Ronson, Tanya K.; Nitschke, Jonathan R. Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe<sub>4</sub>L<sub>6</sub> Tetrahedron. Journal of the American Chemical Society, 2018, 140, 9616-9623
4125669	CIF	C165 H311.5 I5 N87 Na2 O98.75	I 2 3	38.267; 38.267; 38.267 90; 90; 90	56037	Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids. Journal of the American Chemical Society, 2017, 139, 3249-3258
4342510	CIF	C121 H163 Cl K N9 Ni3 O23	R -3 :H	58.49; 58.49; 18.9701 90; 90; 120	56204	Guillet, Gary L.; Gordon, Jesse B.; Di Francesco, Gianna N.; Calkins, Matthew W.; Čižmár, Erik; Abboud, Khalil A.; Meisel, Mark W.; García-Serres, Ricardo; Murray, Leslie J. A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual o,n,o-coordination and facile access to secondary coordination sphere hydrogen bonding interactions. Inorganic chemistry, 2015, 54, 2691-2704
4132545	CIF	C62 H54 F6 N6 O34 Tb6	F d -3 m :2	38.309; 38.309; 38.309 90; 90; 90	56222	Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms. Journal of the American Chemical Society, 2018, 140, 8858-8867
1544031	CIF	C144 H72 Cl3 Hf12 Ir3 N12 O64	I m -3 m	38.3207; 38.3207; 38.3207 90; 90; 90	56273	Wang, Yingxia; Cui, Hao; Wei, Zhang-Wen; Wang, Hai-Ping; Zhang, Li; Su, Cheng-Yong Engineering catalytic coordination space in a chemically stable Ir-porphyrin MOF with a confinement effect inverting conventional Si-H insertion chemoselectivity. Chemical science, 2017, 8, 775-780
1551418	CIF	C234 H234 Br12.75 Fe6 K0.75 N30 O42.25	C 1 2/c 1	59.465; 16.8956; 62.436 90; 116.189; 90	56290	Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke Two-stage directed self-assembly of a cyclic [3]catenane Nature Chemistry, 2015, 7, 354-358
4334268	CIF	C111 H97 Cd3 Fe2 N13 O28	I 41/a c d :2	41.4454; 41.4454; 32.834 90; 90; 90	56400	Chao Zou; Tianfu Zhang; Ming-Hua Xie; Lijun Yan; Guo-Qiang Kong; Xiu-Li Yang; An Ma; Chuan-De Wu Four Metalloporphyrinic Frameworks as Heterogeneous Catalysts for Selective Oxidation and Aldol Reaction Inorganic Chemistry, 2013, 52, 3620-3626
7036838	CIF	C58 H94 N7 O43 Sm3	I m -3	38.3513; 38.3513; 38.3513 90; 90; 90	56408	Liu, Jian-Qiang; Li, X. F.; Gu, C. Y.; da Silva, Júlio C. S.; Barros, Amanda L.; Júnior, Severino Alves; Li, B. H.; Ren, Fei; Batten, Stuart R.; Soares, Thereza A. Combined Experimental and Simulation Study of Large Nanocage-based Metal-Organic Frameworks for Drug Delivery Dalton Trans., 2015, 44, 19370-19382
4106513	CIF	C38 H38 B2 N12 O5 Zn2	R -3 c :H	27.2749; 27.2749; 87.561 90; 90; 120	56412	Hai-Xia Zhang; Fei Wang; Hui Yang; Yan-Xi Tan; Jian Zhang; Xianhui Bu Interrupted Zeolite LTA and ATN-Type Boron Imidazolate Frameworks Journal of the American Chemical Society, 2011, 133, 11884-11887
4119911	CIF	C254 H317 Cd18 Cl8 N18 Nd6 O92	P -3	51.623; 51.623; 24.455 90; 90; 120	56440	Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures Journal of the American Chemical Society, 2013, 135, 8468-8471
4514404	CIF	C64.8 H39.73 Cl N4 Ni O21.33 Zr4	I m -3 m	38.36; 38.36; 38.36 90; 90; 90	56446	Zhang, Liangliang; Yuan, Shuai; Fan, Weidong; Pang, Jiandong; Li, Fugang; Guo, Bingbing; Zhang, Peng; Sun, Daofeng; Zhou, Hong-Cai Cooperative Sieving and Functionalization of Zr Metal-Organic Frameworks through Insertion and Post-Modification of Auxiliary Linkers. ACS applied materials & interfaces, 2019, 11, 22390-22397
7701602	CIF	C78 H80 Dy6 N28 O42	R -3 c :H	55.955; 55.955; 20.8428 90; 90; 120	56515	Lu, Jingjing; Li, Xiao-Lei; Zhu, Zhenhua; Liu, Shuting; Yang, Qianqian; Tang, Jinkui Linear hexanuclear helical dysprosium single-molecule magnets: the effect of axial substitution on magnetic interactions and relaxation dynamics. Dalton transactions (Cambridge, England : 2003), 2019, 48, 14062-14068
4135248	CIF	C216 H200 N24	F 2 2 2	32.3336; 33.9663; 51.4808 90; 90; 90	56539	Qu, Hang; Huang, Zheyu; Dong, Xue; Wang, Xinchang; Tang, Xiao; Li, Zhihao; Gao, Wenbin; Liu, Haoliang; Huang, Ruishan; Zhao, Zujin; Zhang, Hui; Yang, Liulin; Tian, Zhongqun; Cao, Xiaoyu Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory. Journal of the American Chemical Society, 2020, 142, 16223-16228
7224244	CIF	C144 H72 Cl3 Ir3 N12 O64 Zr12	I m -3 m	38.3937; 38.3937; 38.3937 90; 90; 90	56595.2	Cui, Hao; Wang, Yingxia; Wang, Yanhu; Fan, Yan-Zhong; Zhang, Li; Su, Cheng-Yong A stable and porous iridium(iii)-porphyrin metal‒organic framework: synthesis, structure and catalysis CrystEngComm, 2016, 18, 2203
4345635	CIF	C150 H72 Co3 N12 O70 Zr12	I m -3 m	38.399; 38.399; 38.399 90; 90; 90	56619	Gallagher, Audrey T.; Malliakas, Christos D.; Harris, T. David CO Binding at a Four-Coordinate Cobaltous Porphyrin Site in a Metal-Organic Framework: Structural, EPR, and Gas Adsorption Analysis. Inorganic chemistry, 2017, 56, 4655-4662
1548465	CIF	C144 H72 Mn3 N12 O70 Zr12	I m -3 m	38.4015; 38.4015; 38.4015 90; 90; 90	56630	Gallagher, Audrey T.; Lee, Jung Yoon; Kathiresan, Venkatesan; Anderson, John S.; Hoffman, Brian M.; Harris, T. David A structurally-characterized peroxomanganese(iv) porphyrin from reversible O<sub>2</sub> binding within a metal-organic framework. Chemical science, 2018, 9, 1596-1603
4130346	CIF	C384 H264 F144 Fe8 N48 O24 P16	P 4 3 2	38.41; 38.41; 38.41 90; 90; 90	56667	Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R. Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms. Journal of the American Chemical Society, 2016, 138, 6813-6821
7207495	CIF	C72 H89.33 Au4 Cl2 Co2 N4 O20.67 P4 S4	F 2 3	38.4167; 38.4167; 38.4167 90; 90; 90	56697	Lee, Raeeun; Igashira-Kamiyama, Asako; Motoyoshi, Hiroki; Konno, Takumi Aggregation of chiral hexanuclear complex-cations into cationic metallosupramolecules with concomitant aggregation of inorganic counter-anions into anionic clusters CrystEngComm, 2012, 14, 1936
7119615	CIF	C219 H324 Gd18 N30 O147	R -3 c :H	33.1977; 33.1977; 59.4184 90; 90; 120	56711	Kai; Wang; Zi-Lu; Chen; Hua-Hong; Zou; Kun; Hu; Hai-Ye; Li; Zhong; Zhang; Wei-Yin; Sun; Fu-Pei; Liang A single-stranded {Gd18} nanowheel with a symmetric polydentate diacylhydrazone ligand Chem.Commun., 2016, 52, 8297
4514180	CIF	C456 H576 Cr24 O120 Si24	I 4/m	34.23; 34.23; 48.409 90; 90; 90	56720	Park, Jinhee; Perry, Zachary; Chen, Ying-Pin; Bae, Jaeyeon; Zhou, Hong-Cai Chromium(II) Metal-Organic Polyhedra as Highly Porous Materials. ACS applied materials & interfaces, 2017, 9, 28064-28068
4123190	CIF	C408 H318 N12 O32 Zr6	P m -3 m	38.4224; 38.4224; 38.4224 90; 90; 90	56722	Liu, Tian-Fu; Feng, Dawei; Chen, Ying-Pin; Zou, Lanfang; Bosch, Mathieu; Yuan, Shuai; Wei, Zhangwen; Fordham, Stephen; Wang, Kecheng; Zhou, Hong-Cai Topology-guided design and syntheses of highly stable mesoporous porphyrinic zirconium metal-organic frameworks with high surface area. Journal of the American Chemical Society, 2015, 137, 413-419
7045638	CIF	C141 H72 Hf12 N12 O55 Ru3	I m -3 m	38.4253; 38.4253; 38.4253 90; 90; 90	56735.1	Chen, Lianfen; Cui, Hao; Wang, Yanhu; Liang, Xiang; Zhang, Li; Su, Cheng-Yong Carbene insertion into N-H bonds with size-selectivity induced by a microporous ruthenium-porphyrin metal-organic framework. Dalton transactions (Cambridge, England : 2003), 2018, 47, 3940-3946
4122995	CIF	C144 H72 Fe3 N12 O64 Zr12	I m -3 m	38.4265; 38.4265; 38.4265 90; 90; 90	56740	Anderson, John S.; Gallagher, Audrey T.; Mason, Jarad A.; Harris, T. David A Five-Coordinate Heme Dioxygen Adduct Isolated within a Metal-Organic Framework. Journal of the American Chemical Society, 2014, 141117151249006
7233661	CIF	C156 H134 Br4 Cd17 N2 S24 Se4	R -3 c :H	27.3772; 27.3772; 87.5257 90; 90; 120	56812.5	Jian-Bing Jiang; Peng Huo; Peng Wang; Yin-Yin Wu; Guo-Qing Bian; Qin-Yu Zhu; Jie Dai Synthesis and photocurrent responsive properties of CdS/Se clusters integrated with methylviologen Journal of Materials Chemistry C, 2014, 2, 2528-2533
1513720	CIF	C359 H630 Cr28 Cu4 F32 N4 Ni4 O141	P 4/n c c :2	42.289; 42.289; 31.7707 90; 90; 90	56817.4	Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P. The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings Chemical Science, 2014, 5, 235
4131793	CIF	C210 H630 Gd70 N40 O540	P -1	20.175; 53.239; 54.291 81.53; 83.58; 81.62	56818	Zheng, Xiu-Ying; Jiang, You-Hong; Zhuang, Gui-Lin; Liu, Da-Peng; Liao, Hong-Gang; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun A Gigantic Molecular Wheel of {Gd<sub>140</sub>}: A New Member of the Molecular Wheel Family. Journal of the American Chemical Society, 2017, 139, 18178-18181
1550266	CIF	C72 H36 Cu1.5 N6 O26 Zr6	I m -3 m	38.452; 38.452; 38.452 90; 90; 90	56853.4	Yu, Chung Jui; Krzyaniak, Matthew D.; Fataftah, Majed S.; Wasielewski, Michael R.; Freedman, Danna A Concentrated Array of Copper Porphyrin Candidate Qubits Chemical Science, 2019
7020033	CIF	C205 H141 Dy14 N57 O66	C 1 2/c 1	70.91; 22.072; 39.35 90; 112.57; 90	56871	Chesman, Anthony S. R.; Turner, David R.; Moubaraki, Boujemaa; Murray, Keith S.; Deacon, Glen B.; Batten, Stuart R. Tetradecanuclear polycarbonatolanthanoid clusters: Diverse coordination modes of carbonate providing access to novel core geometries. Dalton transactions (Cambridge, England : 2003), 2012, 41, 10903-10909
7037733	CIF	C194 H346 Co2 Cr14 F16 N4 Ni2 O72	I 41/a :2	58.317; 58.317; 16.7336 90; 90; 90	56909	Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P. Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings. Dalton transactions (Cambridge, England : 2003), 2016, 45, 1638-1647
4121119	CIF	C144 H72 N12 O64 Zr15	I m -3 m	38.465; 38.465; 38.465 90; 90; 90	56911	Dawei Feng; Wan-Chun Chung; Zhangwen Wei; Zhi-Yuan Gu; Hai-Long Jiang; Ying-Pin Chen; Donald J. Darensbourg; Hong-Cai Zhou Construction of Ultrastable Porphyrin Zr Metal-Organic Frameworks through Linker Elimination Journal of the American Chemical Society, 2013, 135, 17105-17110
4131056	CIF	C472 H466 Ag67 B3 P8 S32	C c c 2	46.195; 48.069; 25.6424 90; 90; 90	56940	Alhilaly, Mohammad J.; Bootharaju, Megalamane S.; Joshi, Chakra P.; Besong, Tabot M.; Emwas, Abdul-Hamid; Juarez-Mosqueda, Rosalba; Kaappa, Sami; Malola, Sami; Adil, Karim; Shkurenko, Aleksander; Häkkinen, Hannu; Eddaoudi, Mohamed; Bakr, Osman M. [Ag<sub>67</sub>(SPhMe<sub>2</sub>)<sub>32</sub>(PPh<sub>3</sub>)<sub>8</sub>]<sup>3+</sup>: Synthesis, Total Structure, and Optical Properties of a Large Box-Shaped Silver Nanocluster. Journal of the American Chemical Society, 2016, 138, 14727-14732
7042200	CIF	C50 H52.5 B4 F16 N21 Ni2 O0.75 S4	F d d 2	48.447; 51.45; 22.862 90; 90; 90	56986	Yang, Lu; Zhao, Liang; Zhou, Zhen; He, Cheng; Sun, Hui; Duan, Chunying A thiourea-functionalized metal-organic macrocycle for the catalysis of Michael additions and prominent size-selective effect. Dalton transactions (Cambridge, England : 2003), 2017, 46, 4086-4092
1566953	CIF	C249 H289 N25 O80 Zr6	F m -3	38.4865; 38.4865; 38.4865 90; 90; 90	57006.6	Li, Xia; Xie, Jialin; Du, Zhenglin; Jiang, Long; Li, Guangqin; Ling, Sanliang; Zhu, Kelong Docking rings in a solid: reversible assembling of pseudorotaxanes inside a zirconium metal–organic framework Chemical Science, 2022
1558029	CIF	C168 H108 Cl3 Fe3 N12 O64 Zr12	I m -3 m	38.4891; 38.4891; 38.4891 90; 90; 90	57018	Zee, David Z.; Harris, T. David Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework. Chemical science, 2020, 11, 5447-5452
4345636	CIF	C146.9 H72 Co3 N12 O66.9 Zr12	I m -3 m	38.4988; 38.4988; 38.4988 90; 90; 90	57061	Gallagher, Audrey T.; Malliakas, Christos D.; Harris, T. David CO Binding at a Four-Coordinate Cobaltous Porphyrin Site in a Metal-Organic Framework: Structural, EPR, and Gas Adsorption Analysis. Inorganic chemistry, 2017, 56, 4655-4662
4100635	CIF	C144 H108 Fe12 N12 O76 S12	F -4 3 m	38.508; 38.508; 38.508 90; 90; 90	57101.8	Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra Journal of the American Chemical Society, 2005
4100634	CIF	C150 H108 Fe12 N18 O76 S12	F -4 3 m	38.508; 38.508; 38.508 90; 90; 90	57102	Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra Journal of the American Chemical Society, 2005
1535700	CIF	H944 O1752 U256	P 1 21/c 1	38.84; 36.52; 41.3 90; 102.863; 90	57111.3	Burns, P.C.; Kubatko, K.A.; Fryer, B.J.; Antonio, M.R.; Sigmon, G.; Soderholm, L.; Gagnon, J.E. Actinyl Peroxide Nanospheres Angew. Chem. Int. ed., 2005, 44, 2135-2139
4121118	CIF	C144 H72 N12 Ni3 O64 Zr12	I m -3 m	38.512; 38.512; 38.512 90; 90; 90	57120	Dawei Feng; Wan-Chun Chung; Zhangwen Wei; Zhi-Yuan Gu; Hai-Long Jiang; Ying-Pin Chen; Donald J. Darensbourg; Hong-Cai Zhou Construction of Ultrastable Porphyrin Zr Metal-Organic Frameworks through Linker Elimination Journal of the American Chemical Society, 2013, 135, 17105-17110
1548338	CIF	C108 H36 Cd6 Cl3 N24 O48	F m -3 m	38.527; 38.527; 38.527 90; 90; 90	57187	Chun-Yi Sun; Xin-Long Wang; Xiao Zhang; Chao Qin; Peng Li; Zhong-Min Su; Dong-Xia Zhu; Guo-Gang Shan; Kui-Zhan Shao; Han Wu; Jing Li Efficient and tunable white-light emission of metal-organic frameworks by iridium-complex encapsulation Nature Communications, 2013, 3, 2717
4345637	CIF	C146.89 H72 Co3 N12 O66.89 Zr12	I m -3 m	38.5333; 38.5333; 38.5333 90; 90; 90	57215	Gallagher, Audrey T.; Malliakas, Christos D.; Harris, T. David CO Binding at a Four-Coordinate Cobaltous Porphyrin Site in a Metal-Organic Framework: Structural, EPR, and Gas Adsorption Analysis. Inorganic chemistry, 2017, 56, 4655-4662
4345784	CIF	C149.83 H72 Co3 N12 O69.83 Zr12	I m -3 m	38.5333; 38.5333; 38.5333 90; 90; 90	57215	Gallagher, Audrey T.; Malliakas, Christos D.; Harris, T. David CO Binding at a Four-Coordinate Cobaltous Porphyrin Site in a Metal-Organic Framework: Structural, EPR, and Gas Adsorption Analysis. Inorganic chemistry, 2017, 56, 4655-4662
1517951	CIF	C252 H276 Co4 F36 N48 P6	R -3	30.5162; 30.5162; 71.022 90; 90; 120	57278	Symmers, P. R.; Burke, M. J.; August, D. P.; Thomson, P. I. T.; Nichol, G. S.; Warren, M. R.; Campbell, C. J.; Lusby, P. J. Non-equilibrium cobalt(iii) “click” capsules Chem. Sci., 2015, 6, 756
4101427	CIF	C319.5 H235 Au10 Cl15 F30 N12 O20 P10	P 32 2 1	36.405; 36.405; 49.917 90; 90; 120	57294	Wheaton, Craig A; Eisler, Dana J; Jennings, Michael C; Puddephatt, Richard J Self-assembly of coordination polymers: evidence for dynamic exchange between oligomers in solution and the isolation of a homochiral decagold(I) oligomer. Journal of the American Chemical Society, 2006, 128, 15370-15371
4130457	CIF	C0.99 H0.61 O0.2 Zr0.04	F m -3 m	38.554; 38.554; 38.554 90; 90; 90	57307	Manna, Kuntal; Ji, Pengfei; Greene, Francis X.; Lin, Wenbin Metal-Organic Framework Nodes Support Single-Site Magnesium-Alkyl Catalysts for Hydroboration and Hydroamination Reactions. Journal of the American Chemical Society, 2016, 138, 7488-7491
4340086	CIF	C36 H30 Ag2 N8 O6	I 41/a c d :2	28.737; 28.737; 69.398 90; 90; 90	57310	Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution. Inorganic chemistry, 2014, 53, 7599-7607
7123986	CIF	Cl1.5 H454 Li30.5 Na51 O597 Te48 W78	C 1 2/c 1	58.0985; 17.79804; 61.6119 90; 115.75; 90	57382.6	Liu, Jin-Xiu; Izarova, Natalya V.; Kögerler, Paul Blurring the line between addenda and heteroatoms in a giant polyoxotungstotellurite Chemical Communications, 2019
4122273	CIF	C330 H480 Cd35 N30 O60 Se20	C m c m	36.837; 44.172; 35.269 90; 90; 90	57388	Beecher, Alexander N.; Yang, Xiaohao; Palmer, Joshua H.; LaGrassa, Alexandra L.; Juhas, Pavol; Billinge, Simon J. L.; Owen, Jonathan S. Atomic structures and gram scale synthesis of three tetrahedral quantum dots. Journal of the American Chemical Society, 2014, 136, 10645-10653
4122274	CIF	C242 H352 Cd31 N22 O44 Se20	C m c m	36.837; 44.172; 35.269 90; 90; 90	57388	Beecher, Alexander N.; Yang, Xiaohao; Palmer, Joshua H.; LaGrassa, Alexandra L.; Juhas, Pavol; Billinge, Simon J. L.; Owen, Jonathan S. Atomic structures and gram scale synthesis of three tetrahedral quantum dots. Journal of the American Chemical Society, 2014, 136, 10645-10653
4134637	CIF	C72.29 H39.16 Hf6.02 N6.02 O32.13	I m -3 m	38.585; 38.585; 38.585 90; 90; 90	57445	Luo, Taokun; Ni, Kaiyuan; Culbert, August; Lan, Guangxu; Li, Zhe; Jiang, Xiaomin; Kaufmann, Michael; Lin, Wenbin Nanoscale Metal-Organic Frameworks Stabilize Bacteriochlorins for Type I and Type II Photodynamic Therapy. Journal of the American Chemical Society, 2020, 142, 7334-7339
4349085	CIF	C24 H12 Co0.5 N2 O10.67 Zr2	I m -3 m	38.5873; 38.5873; 38.5873 90; 90; 90	57456	Gallagher, Audrey T.; Kelty, Margaret L.; Park, Jesse G.; Anderson, John S.; Mason, Jarad A.; Walsh, James P. S.; Collins, Shenell L.; Harris, T. David Dioxygen binding at a four-coordinate cobaltous porphyrin site in a metal‒organic framework: structural, EPR, and O2 adsorption analysis Inorganic Chemistry Frontiers, 2016, 3, 536
7241660	CIF	C74 H84 Au2 I2 N8 Pd	R -3 :H	29.8768; 29.8768; 74.341 90; 90; 120	57468	Zeng, Lihua; Sun, Shujian; Wei, Zhang-Wen; Xin, Yu; Liu, Liping; Zhang, Jianyong Confinement of a Au‒N-heterocyclic carbene in a Pd6L12 metal‒organic cage RSC Advances, 2020, 10, 39323-39327
4341157	CIF	C66 H36 N2 O41 Zn7	F m -3 m	38.591; 38.591; 38.591 90; 90; 90	57472	Yang, Jie; Wang, Xiaoqing; Dai, Fangna; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng Improving the Porosity and Catalytic Capacity of a Zinc Paddlewheel Metal-Organic Framework (MOF) through Metal-Ion Metathesis in a Single-Crystal-to-Single-Crystal Fashion. Inorganic chemistry, 2014, 53, 10649-10653
4506225	CIF	C66 H36 N2 O41 Zn7	F m -3 m	38.591; 38.591; 38.591 90; 90; 90	57472	Zhao, Xiaoliang; Wang, Xiaoyang; Wang, Suna; Dou, Jianmin; Cui, Peipei; Chen, Zhen; Sun, Di; Wang, Xingpo; Sun, Daofeng Novel Metal‒Organic Framework Based on Cubic and Trisoctahedral Supermolecular Building Blocks: Topological Analysis and Photoluminescent Property Crystal Growth & Design, 2012, 12, 2736
1562009	CIF	C135 H78 O60 P3 Zr9	P 62 2 2	38.1622; 38.1622; 45.5859 90; 90; 120	57495	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
4128685	CIF	C135 H78 O60 P3 Zr9	P 62 2 2	38.1622; 38.1622; 45.5859 90; 90; 120	57495	Gong, Wei; Chen, Xu; Jiang, Hong; Chu, Dandan; Cui, Yong; Liu, Yan Highly Stable Zr(IV)-Based Metal-Organic Frameworks with Chiral Phosphoric Acids for Catalytic Asymmetric Tandem Reactions. Journal of the American Chemical Society, 2019, 141, 7498-7508
4341158	CIF	C66 H58 Cu7 O35	F m -3 m	38.6049; 38.6049; 38.6049 90; 90; 90	57534.4	Yang, Jie; Wang, Xiaoqing; Dai, Fangna; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng Improving the Porosity and Catalytic Capacity of a Zinc Paddlewheel Metal-Organic Framework (MOF) through Metal-Ion Metathesis in a Single-Crystal-to-Single-Crystal Fashion. Inorganic chemistry, 2014, 53, 10649-10653
4349086	CIF	C144 H72 Co3 N12 O70 Zr12	I m -3 m	38.6198; 38.6198; 38.6198 90; 90; 90	57601	Gallagher, Audrey T.; Kelty, Margaret L.; Park, Jesse G.; Anderson, John S.; Mason, Jarad A.; Walsh, James P. S.; Collins, Shenell L.; Harris, T. David Dioxygen binding at a four-coordinate cobaltous porphyrin site in a metal‒organic framework: structural, EPR, and O2 adsorption analysis Inorganic Chemistry Frontiers, 2016, 3, 536
7108553	CIF	C60 H102 Co2 K N6 O8 Si4	F d d 2	37.418; 48.552; 31.7292 90; 90; 90	57643	Skye Fortier; Octavio Gonzalez-del Moral; Chun-Hsing Chen; Maren Pink; Daniel J. Mindiola; Kenneth G. Caulton Probing the redox non-innocence of dinuclear, three-coordinate Co(II) nindigo complexes: not simply beta-diketiminate variants Chem.Commun., 2012, 48, 11082
4124903	CIF	C352 H480 B32 F32 Fe12 N104 O72 Pd6	C 1 2/c 1	40.4082; 31.9967; 48.1377 90; 112.142; 90	57649	Jansze, Suzanne M.; Cecot, Giacomo; Wise, Matthew D.; Zhurov, Konstantin O.; Ronson, Tanya K.; Castilla, Ana M.; Finelli, Alba; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Zelinskii, Genrikh E.; Vologzhanina, Anna V.; Voloshin, Yan Z.; Nitschke, Jonathan R.; Severin, Kay Ligand Aspect Ratio as a Decisive Factor for the Self-Assembly of Coordination Cages. Journal of the American Chemical Society, 2016, 138, 2046-2054
4114081	CIF	C464 H396 F96 N96 O105 Pb16 S64	P 1 21/c 1	31.05; 52.013; 37.379 90; 107.013; 90	57725	Mihail Barboiu; Gavin Vaughan; Roland Graff; Jean-Marie Lehn Self-Assembly, Structure, and Dynamic Interconversion of Metallosupramolecular Architectures Generated by Pb(II) Binding-Induced Unfolding of a Helical Ligand Journal of the American Chemical Society, 2003, 125, 10257-10265
4122996	CIF	C18 H9 Fe0.38 N1.5 O8.75 Zr1.5	I m -3 m	38.6484; 38.6484; 38.6484 90; 90; 90	57729	Anderson, John S.; Gallagher, Audrey T.; Mason, Jarad A.; Harris, T. David A Five-Coordinate Heme Dioxygen Adduct Isolated within a Metal-Organic Framework. Journal of the American Chemical Society, 2014, 141117151249006
1558028	CIF	C168 H114 N12 O64 Zr12	I m -3 m	38.649; 38.649; 38.649 90; 90; 90	57732	Zee, David Z.; Harris, T. David Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework. Chemical science, 2020, 11, 5447-5452
7707058	CIF	C66 H116 Br0 Cl2 Cu3 N8 O22	R -3 m :H	38.907; 38.907; 44.043 90; 90; 120	57738	Li, Yang; Yang, Jin; Ma, Jian-Fang A copper(ii)-based porous metal-organic framework for the efficient and rapid capture of toxic oxo-anion pollutants from water. Dalton transactions (Cambridge, England : 2003), 2021, 50, 3832-3840
1566103	CIF	C720 H1080 Ag296 Cl112 F72 Sb12	P 1 21/c 1	46.413; 27.613; 47.653 90; 108.954; 90	57761	Jiang, Zhan-Guo; Wu, Wei-Hong; Jin, Bo-Xing; Zeng, Hui-Min; Jin, Zhi-Gang; Zhan, Cai-Hong A chloride-doped silver-sulfide cluster [Ag<sub>148</sub>S<sub>26</sub>Cl<sub>30</sub>(CCBu<sup><i>t</i></sup>)<sub>60</sub>]<sup>6+</sup>: hierarchical assembly, enhanced luminescence and cytotoxicity to cancer cells. Nanoscale, 2022, 14, 1971-1977
1566104	CIF	C720 H1080 Ag296 F72 S112 Sb12	P 1 21/c 1	46.413; 27.613; 47.653 90; 108.954; 90	57761	Jiang, Zhan-Guo; Wu, Wei-Hong; Jin, Bo-Xing; Zeng, Hui-Min; Jin, Zhi-Gang; Zhan, Cai-Hong A chloride-doped silver-sulfide cluster [Ag<sub>148</sub>S<sub>26</sub>Cl<sub>30</sub>(CCBu<sup><i>t</i></sup>)<sub>60</sub>]<sup>6+</sup>: hierarchical assembly, enhanced luminescence and cytotoxicity to cancer cells. Nanoscale, 2022, 14, 1971-1977
4104096	CIF	C176 H532 Ge7 Mn12 N44 O360 W72	I -4 3 d	38.6584; 38.6584; 38.6584 90; 90; 90	57774	Johannes Thiel; Chris Ritchie; Carsten Streb; De-Liang Long; Leroy Cronin Heteroatom-Controlled Kinetics of Switchable Polyoxometalate Frameworks Journal of the American Chemical Society, 2009, 131, 4180-4181
1548466	CIF	C144 H72 Mn3 N12 O52 Zr12	I m -3 m	38.672; 38.672; 38.672 90; 90; 90	57835	Gallagher, Audrey T.; Lee, Jung Yoon; Kathiresan, Venkatesan; Anderson, John S.; Hoffman, Brian M.; Harris, T. David A structurally-characterized peroxomanganese(iv) porphyrin from reversible O<sub>2</sub> binding within a metal-organic framework. Chemical science, 2018, 9, 1596-1603
4123441	CIF	C156 O32 Zr6	F m -3 m	38.678; 38.678; 38.678 90; 90; 90	57862	Manna, Kuntal; Zhang, Teng; Greene, Francis X.; Lin, Wenbin Bipyridine- and Phenanthroline-Based Metal-Organic Frameworks for Highly Efficient and Tandem Catalytic Organic Transformations via Directed C-H Activation. Journal of the American Chemical Society, 2015, 137, 2665-2673
7037051	CIF	As4 Na12 O198 U6 W36	F d -3 :2	38.6891; 38.6891; 38.6891 90; 90; 90	57912	Duval, Sylvain; Sobanska, Sophie; Roussel, Pascal; Loiseau, Thierry B-α-[AsW9O33](9-) polyoxometalates incorporating hexanuclear uranium {U6O8}-like clusters bearing the U(IV) form or unprecedented mixed valence U(IV)/U(VI) involving direct U(VI)[double bond, length as m-dash]O-U(IV) bonding. Dalton transactions (Cambridge, England : 2003), 2015, 44, 19772-19776
4126266	CIF	C236 H170 F48 Fe4 N25 O5 S2 Sb7	P 1 21/n 1	33.5373; 36.1722; 50.1922 90; 107.83; 90	57965	Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R. Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages. Journal of the American Chemical Society, 2017, 139, 9698-9707
4129342	CIF	C134 H179 Co4 N52 O15.5 S12	R -3 c :H	24.7411; 24.7411; 109.349 90; 90; 120	57967	Jing, Xu; He, Cheng; Yang, Yang; Duan, Chunying A metal-organic tetrahedron as a redox vehicle to encapsulate organic dyes for photocatalytic proton reduction. Journal of the American Chemical Society, 2015, 137, 3967-3974
7105667	CIF	C40 H32.33 In3 N8 O16.67	I -4 3 d	38.712; 38.712; 38.712 90; 90; 90	58015	Gu, Xiaojun; Lu, Zhang-Hui; Xu, Qiang High-connected mesoporous metal-organic framework. Chemical communications (Cambridge, England), 2010, 46, 7400-7402
7038305	CIF	C96 H108 Bi9 F45 N36 O53 S33	R -3 c	30.7421; 30.7421; 70.888 90; 90; 120	58019	Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions Dalton Trans., 2016
7129690	CIF	C28 H183 Cu8 K4 N28 Na7 Nb54 O184	C m c e	56.364; 20.1214; 51.165 90; 90; 90	58027	Wu, Yan-Lan; Wang, Yong-Jiang; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian Two high-nuclearity isopolyoxoniobates containing {Nb54 O151}-based helical nanotubes for the decomposition of chemical warfare agent simulants Chemical Communications, 2022
4003379	CIF	C402 H369.75 Mn7 N42 O72 Ti8	P 1 21/c 1	35.6285; 69.9968; 23.6539 90; 100.362; 90	58027.9	He, Yan-Ping; Yuan, Lv-Bing; Song, Jin-Shuai; Chen, Guang-Hui; Lin, Qipu; Li, Chunsen; Zhang, Lei; Zhang, Jian Optical Resolution of the Water-Soluble Ti4(embonate)6 Cages for Enantioselective Recognition of Chiral Drugs Chemistry of Materials, 2018, 30, 7769
4100570	CIF	C242 H208 Cd32 N4 S50	C 1 2/c 1	31.5032; 30.1445; 61.3699 90; 94.982; 90	58059.6	Journal of the American Chemical Society, 2005
4105533	CIF	C306 H294 B12 F60 N90 Ni8 O36 Si2	R -3 c :H	26.0607; 26.0607; 98.7782 90; 90; 120	58098.4	Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion Journal of the American Chemical Society, 2011, 133, 858-870
4117867	CIF	C276 Ir6 N24 O32 Zr6	F 2 3	38.741; 38.741; 38.741 90; 90; 90	58145	Cheng Wang; Kathryn E. deKrafft; Wenbin Lin Pt Nanoparticles @ Photoactive Metal-Organic Frameworks: Efficient Hydrogen Evolution via Synergistic Photoexcitation and Electron Injection Journal of the American Chemical Society, 2012, 134, 7211-7214
7130340	CIF	C186 H150 N18 O54 Rh12	R -3 c :H	31.163; 31.163; 69.154 90; 90; 120	58160.3	Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers Chemical Communications, 2022
7103847	CIF	H1100 K30 Mo146 Na16 O1043 S16	P 4/n :2	51.726; 51.726; 21.7465 90; 90; 90	58185.4	Müller, Achim; Toma, Liviu; Bögge, Hartmut; Schmidtmann, Marc; Kögerler, Paul Synergetic activation of "silent receptor" sites leading to a new type of inclusion complex: integration of a 64-membered ring comprising K+ and SO~4~^2-^ ions into a molybdenum oxide-based nanoobject Chemical Communications (Cambridge, United Kingdom), 2003, 2000-2001
1567486	CIF	C224 H222 Dy12 N50 Na4 O94	I 41/a c d :2	32.0539; 32.0539; 56.6487 90; 90; 90	58204	Li, Xiao-Lei; Zhao, Lang; Wu, Jianfeng; Shi, Wei; Struch, Niklas; Lützen, Arne; Powell, Annie K.; Cheng, Peng; Tang, Jinkui Subcomponent self-assembly of circular helical Dy6(L)6 and bipyramid Dy12(L)8 architectures directed via second-order template effects Chemical Science, 2022
7053203	CIF	C5.5 H3 Co0.58 N0 O2.67	F m -3 m	38.757; 38.757; 38.757 90; 90; 90	58217	Li, Liangjun; Tang, Sifu; Lv, Xiaoxia; Jiang, Min; Wang, Chao; Zhao, Xuebo An rht type metal‒organic framework based on small cubicuboctahedron supermolecular building blocks and its gas adsorption properties New Journal of Chemistry, 2013, 37, 3662
4122968	CIF	C276 H160 N24 O32 Zn6 Zr6	F m -3 m	38.758; 38.758; 38.758 90; 90; 90	58222	Lu, Kuangda; He, Chunbai; Lin, Wenbin Nanoscale Metal-Organic Framework for Highly Effective Photodynamic Therapy of Resistant Head and Neck Cancer. Journal of the American Chemical Society, 2014, 141119074725009
4517682	CIF	C372 H246 Cu24 N24 O142	C 1 2/c 1	35.33; 36.5192; 45.1327 90; 90.828; 90	58225	Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D. Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization. ACS applied materials & interfaces, 2020, 12, 24913-24919
4130135	CIF	C626.14 H574.08 Cl6 N18.73 Ni40 O115.47 S40	P 1 2/n 1	36.664; 34.101; 46.617 90; 92.414; 90	58233	Hang, Xinxin; Liu, Bing; Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping; Liu, Yunling; Hu, Chunhua Discrete {Ni40} Coordination Cage: A Calixarene-Based Johnson-Type (J17) Hexadecahedron. Journal of the American Chemical Society, 2016, 138, 2969-2972
4132641	CIF	C144 H72 O38.4 Zr7.2	P m -3 m	38.764; 38.764; 38.764 90; 90; 90	58249	Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M. Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 8958-8964
7105666	CIF	C40 H34.33 In3 N6 O18.67	I -4 3 d	38.771; 38.771; 38.771 90; 90; 90	58280	Gu, Xiaojun; Lu, Zhang-Hui; Xu, Qiang High-connected mesoporous metal-organic framework. Chemical communications (Cambridge, England), 2010, 46, 7400-7402
4313434	CIF	C191 H337.5 B81 Co4.5 Eu1.5 N5.5 O57	C 1 2/c 1	54.59; 37.5788; 31.8067 90; 116.573; 90	58357	Ruksanna Ahmad; Ina Dix; Michaele J. Hardie Hydrogen-Bonded Superstructures of a Small Host Molecule and Lanthanide Aquo Ions Inorganic Chemistry, 2003, 42, 2182-2184
4303239	CIF	C112 H68 N12 O8 Zn4	F d d d :2	31.8557; 34.817; 52.617 90; 90; 90	58359	Jennifer M. Verduzco; Haemi Chung; Chunhua Hu; Wonyoung Choe Metal-Organic Framework Assembled from T-Shaped and Octahedral Nodes: A Mixed-Linker Strategy To Create a Rare Anatase TiO2 Topology Inorganic Chemistry, 2009, 48, 9060-9062
4104412	CIF	C144 H484 Br12 Cl18 Er60 N34 O354	C 2 2 21	29.2379; 43.3554; 46.0899 90; 90; 90	58424.5	Xiang-Jian Kong; Yinglan Wu; La-Sheng Long; Lan-Sun Zheng; Zhiping Zheng A Chiral 60-Metal Sodalite Cage Featuring 24 Vertex-Sharing [Er4(μ3-OH)4] Cubanes Journal of the American Chemical Society, 2009, 131, 6918-6919
7029384	CIF	Fe13 H131 Na30 O300 P8 W60	R -3 :H	29.7437; 29.7437; 76.26 90; 90; 120	58428	Molina, Pedro I.; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy Assembly and core transformation properties of two tetrahedral clusters: [Fe(III)13P8W60O227(OH)15(H2O)2](30-) and [Fe(III)13P8W60O224(OH)12(PO4)4](33-). Dalton transactions (Cambridge, England : 2003), 2014, 43, 5190-5199
7702052	CIF	C216 H288 Cl5 N24 O52 Se12 Zn3	F -4 3 c	38.8082; 38.8082; 38.8082 90; 90; 90	58448.1	Naga Babu, Chatla; Srinivas, Katam; Prabusankar, Ganesan Facile access to zinc and cadmium selones: highly active catalysts for Barbier reactions in aqueous media. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6456-6465
4343322	CIF	C5 H235 Fe14 N3 Na32 O352 P8 W60	R -3 :H	29.784; 29.784; 76.121 90; 90; 120	58479	Ibrahim, Masooma; Haider, Ali; Xiang, Yixian; Bassil, Bassem S.; Carey, Akina M.; Rullik, Lisa; Jameson, Geoffrey B.; Doungmene, Floriant; Mbomekallé, Israël M; Oliveira, Pedro de; Mereacre, Valeriu; Kostakis, George E.; Powell, Annie K.; Kortz, Ulrich Tetradecanuclear Iron(III)-Oxo Nanoclusters Stabilized by Trilacunary Heteropolyanions. Inorganic chemistry, 2015, 54, 6136-6146
4135440	CIF	C351 H162 N20 O40	P 1 21/n 1	33.739; 39.7538; 43.9214 90; 96.384; 90	58544	Xiao, Xiao; Pedersen, Stephan K.; Aranda, Daniel; Yang, Jingjing; Wiscons, Ren A.; Pittelkow, Michael; Steigerwald, Michael L.; Santoro, Fabrizio; Schuster, Nathaniel J.; Nuckolls, Colin Chirality Amplified: Long, Discrete Helicene Nanoribbons Journal of the American Chemical Society, 2020
4514257	CIF	C90 H42 N12 O32 Zn8	R -3 c :H	24.4635; 24.4635; 112.996 90; 90; 120	58564	Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption. ACS applied materials & interfaces, 2017, 9, 37419-37434
1558030	CIF	C144 H90 N12 O52 Zr12	I m -3 m	38.8372; 38.8372; 38.8372 90; 90; 90	58579	Zee, David Z.; Harris, T. David Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework. Chemical science, 2020, 11, 5447-5452
4025390	CIF	C146 H220 F51 K N64 O116	I 41/a c d :2	45.39; 45.39; 28.447 90; 90; 90	58608	Da Ma; Zuzana Gargulakova; Peter Y. Zavalij; Vladimir Sindelar; Lyle Isaacs Reasons Why Aldehydes Do Not Generally Participate in Cucurbit[n]uril Forming Reactions Journal of Organic Chemistry, 2010, 75, 2934-2941
4508517	CIF	C96 H82 B4 Co5 F16 N38 O23	I -4 2 d	30.2868; 30.2868; 64.156 90; 90; 90	58850	Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties Crystal Growth & Design, 2013, 13, 5068
4104411	CIF	C144 H484 Br12 Cl18 Er60 N34 O354	C 2 2 21	29.389; 43.595; 45.965 90; 90; 90	58891	Xiang-Jian Kong; Yinglan Wu; La-Sheng Long; Lan-Sun Zheng; Zhiping Zheng A Chiral 60-Metal Sodalite Cage Featuring 24 Vertex-Sharing [Er4(μ3-OH)4] Cubanes Journal of the American Chemical Society, 2009, 131, 6918-6919
4110860	CIF	C213 H177 N13 O9 P8 S12 Ti2	R -3 c :H	24.5457; 24.5457; 112.885 90; 90; 120	58900	Thorsten Kreickmann; Christian Diedrich; Tania Pape; Han Vinh Huynh; Stefan Grimme; F. Ekkehardt Hahn Metallosupramolecular Chemistry with Bis(benzene-o-dithiolato) Ligands Journal of the American Chemical Society, 2006, 128, 11808-11819
4133030	CIF	C588 H654 N54 O24 Zn6	P n -3 n :2	38.945; 38.945; 38.945 90; 90; 90	59068	Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies. Journal of the American Chemical Society, 2018, 140, 14547-14551
7100216	CIF	C210 H474 N6 Ni24 O156	I a -3	38.9497; 38.9497; 38.9497 90; 90; 90	59089.8	George Christou; Khalil Abboud; Dolos Foguet-Albiol High-nuclearity homometallic iron and nickel clusters: Fe22 and Ni24 complexes from the use of N-methyldiethanolamine Chemical Communications, 2005
4329694	CIF	C72 H103 Cu12 Mo36 N36 O149 P3	R -3 c :H	20.758; 20.758; 158.36 90; 90; 120	59095	Chan-Zi Ruan; Ru Wen; Min-Xia Liang; Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng Two Triazole-Based Metal-Organic Frameworks Constructed from Nanosized Cu20 and Cu30 Wheels Inorganic Chemistry, 2012, 51, 7587-7591
4517687	CIF	C336 H324 Cu24 N36 O138	R -3 :H	35.7322; 35.7322; 53.462 90; 90; 120	59115	Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D. Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization. ACS applied materials & interfaces, 2020, 12, 24913-24919
7157666	CIF	C134 H130 Cl6 F6 N18 O19	C 2 2 21	35.445; 36.434; 45.806 90; 90; 90	59154	Yang, Ling; Ma, Chunmiao; Kauffmann, Brice; Li, Dongyao; Gan, Quan Absolute handedness control of oligoamide double helices by chiral oxazolylaniline induction. Organic & biomolecular chemistry, 2020, 18, 6643-6650
1558595	CIF	C286 H393 Ag2 F18 N31 O58 Rh6 S6	P 1 21/c 1	36.05; 39.906; 43.383 90; 108.546; 90	59170	Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot Chemical Science, 2020
4132542	CIF	C80 H66 N12 O40 Tb6	F d -3 m :2	38.985; 38.985; 38.985 90; 90; 90	59251	Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms. Journal of the American Chemical Society, 2018, 140, 8858-8867
4507518	CIF	C24 H8 Hf6.45 O32 S4	F m -3 m	39.01; 39.01; 39.01 90; 90; 90	59365	Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism Crystal Growth & Design, 2013, 13, 1231
4102654	CIF	C84 H63 I6 N9 O30 Pd3 Zn4	R -3 c :H	31.0845; 31.0845; 71.018 90; 90; 120	59427	Kounosuke Oisaki; Qiaowei Li; Hiroyasu Furukawa; Alexander U. Czaja; Omar M. Yaghi A Metal-Organic Framework with Covalently Bound Organometallic Complexes Journal of the American Chemical Society, 2010, 132, 9262-9264
4102655	CIF	C84 H63 I6 N9 O13 Pd3 Zn4	R -3 c :H	31.0845; 31.0845; 71.018 90; 90; 120	59427	Kounosuke Oisaki; Qiaowei Li; Hiroyasu Furukawa; Alexander U. Czaja; Omar M. Yaghi A Metal-Organic Framework with Covalently Bound Organometallic Complexes Journal of the American Chemical Society, 2010, 132, 9262-9264
4133955	CIF	C186 H283 K6 O142	P 43 21 2	31.089; 31.089; 61.485 90; 90; 90	59427	Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks. Journal of the American Chemical Society, 2020, 142, 2042-2050
4119915	CIF HKL	C288 H200 B6.67 Cl1.33 F26.67 N16 O16 Pd4	P n -3 n	39.03; 39.03; 39.03 90; 90; 90	59456	Sabrina Freye; Reent Michel; Dietmar Stalke; Martin Pawliczek; Holm Frauendorf; Guido H. Clever Template Control over Dimerization and Guest Selectivity of Interpenetrated Coordination Cages Journal of the American Chemical Society, 2013, 135, 8476-8479
4126001	CIF	C195 H77 Br13 N52 Zn13	P 43 21 2	29.157; 29.157; 69.955 90; 90; 90	59471	Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M. Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks. Journal of the American Chemical Society, 2017, 139, 6448-6455
4307814	CIF	C750 H933 Dy104 I4 N161 O648	P -1	37.962; 39.63; 42.08 90.189; 93.505; 109.604	59506	Xiaojun Gu; Dongfeng Xue Surface Modification of High-Nuclearity Lanthanide Clusters: Two Tetramers Constructed by Cage-Shaped {Dy26} Clusters and Isonicotinate Linkers Inorganic Chemistry, 2007, 46, 3212-3216
4103385	CIF	C236 H616 N104 Ni54 O434 P8 W72	R -3 :H	33.915; 33.915; 59.795 90; 90; 120	59563	Shou-Tian Zheng; Jie Zhang; Xin-Xiong Li; Wei-Hui Fang; Guo-Yu Yang cubic Polyoxometalate-Organic Molecular Cage Journal of the American Chemical Society, 2010, 132, 15102-15103
4133031	CIF	C606 H672 N54 O30 Zn6	P n -3 n :2	39.074; 39.074; 39.074 90; 90; 90	59657	Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies. Journal of the American Chemical Society, 2018, 140, 14547-14551
4513113	CIF	C264 H362 Ag22 N4 O18	C 1 2/c 1	80.349; 20.033; 40.226 90; 112.804; 90	59688	Zhang, Rui; Hao, Xiang; Li, Xiumin; Zhou, Zhengyang; Sun, Junliang; Cao, Rui Soluble Silver Acetylide for the Construction and Structural Conversion of All-Alkynyl-Stabilized High-Nuclearity Homoleptic Silver Clusters Crystal Growth & Design, 2015, 15, 2505
4110346	CIF	C452 H430 B10 Cu12 F40 N128 O40	C 1 2/c 1	24.84; 50.544; 48.629 90; 102.003; 90	59719	Stephen P. Argent; Harry Adams; Thomas Riis-Johannessen; John C. Jeffery; Lindsay P. Harding; Michael D. Ward High-nuclearity Homoleptic and Heteroleptic Coordination Cages Based on Tetra-Capped Truncated Tetrahedral and Cuboctahedral Metal Frameworks Journal of the American Chemical Society, 2006, 128, 72-73
4133956	CIF	C193 H311 K6 O154	P 43 21 2	31.212; 31.212; 61.302 90; 90; 90	59720	Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks. Journal of the American Chemical Society, 2020, 142, 2042-2050
7132289	CIF	C209 H473 Dy24 N24 Na3 O227 P6	R -3 c :H	40.2966; 40.2966; 42.4712 90; 90; 120	59725.8	Liu, Yanan; Sun, Xiao; Chen, Peiqiong; Li, Xiaojuan; Huang, Fu-Ping; Liu, Hou-Ting; Tian, Haiquan Double-stranded metallo-triangles: from anion-templated nonanuclear to cation-templated tetraicosanuclear dysprosium clusters Chemical Communications, 2023
7102204	CIF	C178 H334.5 N37 O85.25 Ru6 S24	C c c 2	37.576; 44.413; 35.8 90; 90; 90	59747	Yamashita, Ken-Ichi; Kawano, Masaki; Fujita, Makoto Ru(ii)-cornered coordination cage that senses guest inclusion by color change. Chemical communications (Cambridge, England), 2007, 4102-4103
7031023	CIF	C204 H252 Mn12 N24 O77	I 41/a	39.8049; 39.8049; 37.7169 90; 90; 90	59760	Frost, J. M.; Sanz, S.; Rajeshkumar, T.; Pitak, M. B.; Coles, S. J.; Rajaraman, G.; Wernsdorfer, W.; Schnack, J.; Lusby, P. J.; Brechin, E. K. A truncated [Mn(III)12] tetrahedron from oxime-based [Mn(III)3O] building blocks. Dalton transactions (Cambridge, England : 2003), 2014, 43, 10690-10694
4063684	CIF	C152.5 H212.5 Cu10 N15 O6.25	I 41/a :2	42.615; 42.615; 32.935 90; 90; 90	59811	Stollenz, Michael; Gehring, Henrike; Konstanzer, Vera; Fischer, Stefan; Dechert, Sebastian; Grosse, Christian; Meyer, Franc From Pyrazolate-Based Binuclear Copper(I) Complexes to Octanuclear σ-Mesityl-Bridged μ4-Oxo-Cuprocuprates: Controlled Dioxygen Splitting by Organocopper Scaffolds Organometallics, 2011, 30, 3708
4107311	CIF	C90 H108 Ag18 N36	I -4 2 d	27.1756; 27.1756; 81.019 90; 90; 90	59834	Jie-Peng Zhang; Susumu Kitagawa Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate Journal of the American Chemical Society, 2008, 130, 907-917
4507517	CIF	C24 H8 O32 S4 Zr6.13	F m -3 m	39.12; 39.12; 39.12 90; 90; 90	59868	Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism Crystal Growth & Design, 2013, 13, 1231
4338017	CIF	C245.5 H183.5 Cu16 N51.5 O23	C 1 2/c 1	40.052; 41.569; 40.712 90; 117.881; 90	59914	Craig, Gavin A.; Schütze, Mike; Aguilà, David; Roubeau, Olivier; Ribas-Ariño, Jordi; Vela, Sergi; Teat, Simon J.; Aromí, Guillem Linear or Cyclic Clusters of Cu(II) with a Hierarchical Relationship. Inorganic chemistry, 2014, 53, 3290
7009487	CIF	C193 H308 Co8 N107 O32 S24	P b c n	53.242; 33.671; 33.537 90; 90; 90	60122	Coxall, Robert A.; Harris, Steven G.; Henderson, David K.; Parsons, Simon; Tasker, Peter A.; Winpenny, Richard E. P. Inter-ligand reactions: in situ formation of new polydentate ligands Journal of the Chemical Society, Dalton Transactions, 2000, 2349
4125909	CIF	C136.67 H109.67 B3 Cl5 N3	R -3 c :H	38.284; 38.284; 47.377 90; 90; 120	60136	Marinelli, Davide; Fasano, Francesco; Najjari, Btissam; Demitri, Nicola; Bonifazi, Davide Borazino-Doped Polyphenylenes. Journal of the American Chemical Society, 2017
7707115	CIF	C325 H374 Co30 N30 O92 S24	C 1 c 1	54.4788; 30.7508; 38.316 90; 110.4; 90	60163.7	Zhang, Kai; Du, Shao-Wu A novel series of giant cobalt-calixarene macrocycles: ring-expansion and modulation of pore apertures through recrystallization. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6181-6187
4350009	CIF	C423 H491 Cu52 I38 N71 O83	F 4 3 2	39.189; 39.189; 39.189 90; 90; 90	60186	Jia, Mingwei; Li, Jiantang; Che, Songtian; Kan, Liang; Li, Guanghua; Liu, Yunling Two CuxIy-based copper‒organic frameworks with multiple secondary building units (SBUs): structure, gas adsorption and impressive ability of I2 sorption and release Inorganic Chemistry Frontiers, 2019, 6, 1261
4126194	CIF	C144 H72 Cu24 N46 O91 Zn24	P 63/m	38.3063; 38.3063; 47.3759 90; 90; 120	60204	Tu, Binbin; Pang, Qingqing; Xu, Huoshu; Li, Xiaomin; Wang, Yulin; Ma, Zhen; Weng, Linhong; Li, Qiaowei Reversible Redox Activity in Multicomponent Metal-Organic Frameworks Constructed from Trinuclear Copper Pyrazolate Building Blocks. Journal of the American Chemical Society, 2017, 139, 7998-8007
7200413	CIF	C40 H28 Mg2 O13	R -3 :H	38.3092; 38.3092; 47.3977 90; 90; 120	60241	Volkringer, Christophe; Loiseau, Thierry; Marrot, Jérôme; Férey, Gérard A MOF-type magnesium benzene-1,3,5-tribenzoate with two-fold interpenetrated ReO3 nets CrystEngComm, 2009, 11, 58
1515672	CIF	C120 H60 Cd13 O66 S24	F m -3 c	39.2048; 39.2048; 39.2048 90; 90; 90	60258	Yuan, Daqiang; Zhao, Dan; Timmons, Daren J.; Zhou, Hong-Cai A stepwise transition from microporosity to mesoporosity in metal‒organic frameworks by thermal treatment Chemical Science, 2011, 2, 103
4510867	CIF	C212 H236 Na4 Ni16 O80 P8 S16	I 41/a c d :2	30.8006; 30.8006; 63.5696 90; 90; 90	60307	Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6) Crystal Growth & Design, 2014, 14, 3116
4002014	CIF	C93 H106 Eu In N6 O22	R -3 :H	41.604; 41.604; 40.246 90; 90; 120	60329	Sava Gallis, Dorina F.; Rohwer, Lauren E. S.; Rodriguez, Mark A.; Nenoff, Tina M. Correction to Efficient Photoluminescence via Metal‒Ligand Alteration in a New MOFs Family Chemistry of Materials, 2014, 26, 4044
7029781	CIF	C156 H252 Ag28 N60 O128 S38	F 4 3 2	39.222; 39.222; 39.222 90; 90; 90	60337.8	Wang, Han; Wan, Chong-Qing; Mak, Thomas C W High-nuclearity silver(i) cluster-based coordination polymers assembled with multidentate oligo-α-heteroarylsulfanyl ligands. Dalton transactions (Cambridge, England : 2003), 2014, 43, 7254-7262
7029782	CIF	C78 H54 Ag14 N30 O28 S19	F 4 3 2	39.222; 39.222; 39.222 90; 90; 90	60337.8	Wang, Han; Wan, Chong-Qing; Mak, Thomas C W High-nuclearity silver(i) cluster-based coordination polymers assembled with multidentate oligo-α-heteroarylsulfanyl ligands. Dalton transactions (Cambridge, England : 2003), 2014, 43, 7254-7262
1558865	CIF	C30 H54 Au3 Co2 N6 Na3.33 O28 S6	I -4 3 d	39.2235; 39.2235; 39.2235 90; 90; 90	60345	Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine Chemical Science, 2020
1567193	CIF	C84 H44 N6 O16 S3 Zr3	F d -3 m :2	39.2392; 39.2392; 39.2392 90; 90; 90	60417.2	Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science, 2022, 13, 8036-8044
4326297	CIF	C84 H54 Cu3 N6 O15	P 42/n m c :2	39.707; 39.707; 38.342 90; 90; 90	60452	Hiroyasu Furukawa; Yong Bok Go; Nakeun Ko; Young Kwan Park; Fernando J. Uribe-Romo; Jaheon Kim; Michael O'Keeffe; Omar M. Yaghi Isoreticular Expansion of Metal-Organic Frameworks with Triangular and Square Building Units and the Lowest Calculated Density for Porous Crystals Inorganic Chemistry, 2011, 50, 9147-9152
4133028	CIF	C600 H660 N54 O24 Zn6	P n -3 n :2	39.258; 39.258; 39.258 90; 90; 90	60504	Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies. Journal of the American Chemical Society, 2018, 140, 14547-14551
7124935	CIF	C240 H276 Cl4 N36 Ni4 O6	F 41 3 2	39.2624; 39.2624; 39.2624 90; 90; 90	60524	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
7017275	CIF	C56 H106 Cl2 Fe12 N8 O38	F -4 3 c	39.2647; 39.2647; 39.2647 90; 90; 90	60535	Graham, Kristoffer; Douglas, Fraser J.; Mathieson, Jennifer S.; Moggach, Stephen A.; Schnack, Jürgen; Murrie, Mark Cubic assembly of a geometrically frustrated {Fe(12)} spin cluster. Dalton transactions (Cambridge, England : 2003), 2011, 40, 12271-12276
4133029	CIF	C592 H656 N52 O26 Zn6	P 4/n n c :2	40.05; 40.05; 37.745 90; 90; 90	60543	Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies. Journal of the American Chemical Society, 2018, 140, 14547-14551
1547535	CIF	C162 H198 Au3 Cu3	C 1 2/c 1	79.645; 18.8256; 50.821 90; 127.383; 90	60548	Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system Chem. Sci., 2017
7709565	CIF	C96 H382 N76 O2 S93 Sn24 Zn26	R -3 c :H	28.337; 28.337; 87.124 90; 90; 120	60587	Liu, Chengdong; Ding, Yayun; Wang, Xiang; Zhou, Rui Two new metal-chalcogenide-cluster-based frameworks with single metal ions of Zn2+(/Sb3+) serving as inter-cluster linkers Dalton Transactions, 2022
4108280	CIF	C433 H375 Cd12 Cl24 N109 O98	C 1 2 1	37.22; 37.22; 43.77 90; 90.1; 90	60636	Nawal K. Al-Rasbi; Ian S. Tidmarsh; Stephen P. Argent; Harry Adams; Lindsay P. Harding; Michael D. Ward Mixed-Ligand Molecular Paneling: Dodecanuclear Cuboctahedral Coordination Cages Based on a Combination of Edge-Bridging and Face-Capping Ligands Journal of the American Chemical Society, 2008, 130, 11641-11649
4107383	CIF	C32.55 H13 Co1.5 N2 O23.3	P a -3	39.288; 39.288; 39.288 90; 90; 90	60643	Amy J. Cairns; Jason A. Perman; Lukasz Wojtas; Victor Ch. Kravtsov; Mohamed H. Alkordi; Mohamed Eddaoudi; Michael J. Zaworotko Supermolecular Building Blocks (SBBs) and Crystal Design: 12-Connected Open Frameworks Based on a Molecular Cubohemioctahedron Journal of the American Chemical Society, 2008, 130, 1560-1561
4104097	CIF	C190 H538 Ge7 Mn12 N40 O386 W72	I -4 3 d	39.2899; 39.2899; 39.2899 90; 90; 90	60651.7	Johannes Thiel; Chris Ritchie; Carsten Streb; De-Liang Long; Leroy Cronin Heteroatom-Controlled Kinetics of Switchable Polyoxometalate Frameworks Journal of the American Chemical Society, 2009, 131, 4180-4181
1567192	CIF	C144 H82 N12 O32 S6 Zr6	F d -3 m :2	39.3006; 39.3006; 39.3006 90; 90; 90	60701.2	Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks. Chemical science, 2022, 13, 8036-8044
1502564	CIF	C108 H104 Cl2 N2 O2 P2 Pd2	I 4 2 2	39.8657; 39.8657; 38.2114 90; 90; 90	60728	Huang, Yinhua; Chew, Renta Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing Direct synthesis of chiral tertiary diphosphines via Pd(II)-catalyzed asymmetric hydrophosphination of dienones. Organic letters, 2011, 13, 5862-5865
1547533	CIF	C324 H396 Ag2.88 Au6 Cu3.12	C 1 2/c 1	80.2; 18.8497; 51.113 90; 128.112; 90	60796	Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system Chem. Sci., 2017
1517226	CIF	C360 H426 Br24 Cd24 N24 O144 Yb8	P 1 21/c 1	30.073; 41.754; 48.731 90; 96.21; 90	60831	Yang, Xiaoping; Schipper, Desmond; Zhang, Lijie; Yang, Keqin; Huang, Shaoming; Jiang, Jijun; Su, Chengyong; Jones, Richard A. Anion dependent self-assembly of 56-metal Cd-Ln nanoclusters with enhanced near-infrared luminescence properties. Nanoscale, 2014, 6, 10569-10573
1569670	CIF	C120 H80 Ag11.27 Au4.73 Cl16 O2 P4 S8	C c c a :2	23.4047; 56.3203; 46.1622 90; 90; 90	60849	Cao, Yaoyao; Xu, Ying; Shen, Honglei; Pan, Peiyao; Zou, Xuejuan; Kang, Xi; Zhu, Manzhou Probing the surface-active sites of metal nanoclusters with atomic precision: a case study of Au<sub>5</sub>Ag<sub>11</sub>. Nanoscale, 2023, 15, 13784-13789
7023784	CIF	C111.33 H114.8 Au4 Cl0.56 N16 O8 P8 Pt2	R -3 :H	42.079; 42.079; 39.683 90; 90; 120	60851	Powers, Andrew R.; Yang, Xi; Del Castillo, Trevor J.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S. Inorganic click (iClick) synthesis of heterotrinuclear Pt(II)/Au(I)2 complexes. Dalton transactions (Cambridge, England : 2003), 2013, 42, 14963-14966
4128519	CIF	C262 H220 B9 Cl F36 N31 Ni5	C 1 2/c 1	45.589; 28.5973; 54.689 90; 121.371; 90	60876	Zhang, Liang; Stephens, Alexander J.; Lemonnier, Jean-François; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Robinson, Christopher J.; Leigh, David A. Coordination Chemistry of a Molecular Pentafoil Knot. Journal of the American Chemical Society, 2019, 141, 3952-3958
1559071	CIF	C504 H472 B24 Cd12 F96 N120 O20	C 1 2/c 1	89.68; 24.7801; 51.463 90; 147.82; 90	60909	Argent, Stephen P.; Jackson, Fiona C.; Chan, Ho Man; Meyrick, Sam; Taylor, Christopher G. P.; Ronson, Tanya K.; Rourke, Jonathan P.; Ward, Michael D. A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces Chemical Science, 2020
1508187	CIF	C528 H408 F144 N72 O24 P24 Pd12	I m -3 m	39.346; 39.346; 39.346 90; 90; 90	60912	Sun, Qing-Fu; Sato, Sota; Fujita, Makoto An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core Nature Chemistry, 2012, 4, 330-333
1547534	CIF	C162 H198 Ag3 Au3	C 1 2/c 1	80.362; 18.8467; 51.284 90; 128.299; 90	60956	Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system Chem. Sci., 2017
7038636	CIF	Ca14 H7.75 N36 Na20 O248 U24	I 41/a c d :2	35.255; 35.255; 49.064 90; 90; 90	60982	Biswas, Saptarshi; Steudtner, Robin; Schmidt, Moritz; McKenna, Cora; León Vintró, Luis; Twamley, Brendan; Baker, Robert J. An investigation of the interactions of Eu(3+) and Am(3+) with uranyl minerals: implications for the storage of spent nuclear fuel. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6383-6393
4001892	CIF	C192 H96 Cu12 N40 O60	I 4/m	34.6853; 34.6853; 50.6917 90; 90; 90	60986	Barin, Gokhan; Krungleviciute, Vaiva; Gomez-Gualdron, Diego A.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K. Isoreticular Series of (3,24)-Connected Metal‒Organic Frameworks: Facile Synthesis and High Methane Uptake Properties Chemistry of Materials, 2014, 26, 1912
4301903	CIF	C106 H106 Co9 N74 O41	F d d d :2	39.369; 39.416; 39.411 90; 90; 90	61157	Louise N. Dawe; Konstantin V. Shuvaev; Laurence K. Thompson Magnetic [nxn] (n= 2-5) Grids by Directed Self-Assembly Inorganic Chemistry, 2009, 48, 3323-3341
7702051	CIF	C216 H288 Cd3 Cl5 N24 O44 Se12	F -4 3 c	39.4115; 39.4115; 39.4115 90; 90; 90	61216.6	Naga Babu, Chatla; Srinivas, Katam; Prabusankar, Ganesan Facile access to zinc and cadmium selones: highly active catalysts for Barbier reactions in aqueous media. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6456-6465
4517685	CIF	C396 H420 Cu24 N54 O162	R -3 :H	36.2688; 36.2688; 53.74 90; 90; 120	61220.2	Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D. Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization. ACS applied materials & interfaces, 2020, 12, 24913-24919
4518948	CIF	C120 H66 Eu2 N24 O16 Ru2	I 2 2 2	36.922; 39.257; 42.254 90; 90; 90	61245	Weng, Zhen-Zhang; Xu, Han; Zhang, Wei; Zhuang, Gui-Lin; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun Enantioselective Recognition and Separation of <i>C</i><sub>2</sub> Symmetric Substances via Chiral Metal-Organic Frameworks. ACS applied materials & interfaces, 2021, 13, 37412-37421
4518949	CIF	C120 H66 Eu2 N24 O16 Ru2	I 2 2 2	37.1447; 38.972; 42.3711 90; 90; 90	61337	Weng, Zhen-Zhang; Xu, Han; Zhang, Wei; Zhuang, Gui-Lin; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun Enantioselective Recognition and Separation of <i>C</i><sub>2</sub> Symmetric Substances via Chiral Metal-Organic Frameworks. ACS applied materials & interfaces, 2021, 13, 37412-37421
7124760	CIF	C116 H66 N2 O2	I 41/a c d :2	39.28; 39.28; 39.78 90; 90; 90	61377	Burgun, Alexandre; Valente, Peter; Evans, Jack D.; Huang, David M.; Sumby, Christopher J.; Doonan, Christian J. Endohedrally functionalised porous organic cages. Chemical communications (Cambridge, England), 2016, 52, 8850-8853
1518256	CIF	C453.5 H476.75 B33.75 F9 Fe12 N100.75 O83.5 Pd6	P -1	37.76; 37.914; 49.64 109.87; 111.57; 90.72	61382	Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Besnard, Celine; Solari, Euro; Scopelliti, Rosario; Bricogne, Gerard; Severin, Kay Large, heterometallic coordination cages based on ditopic metallo-ligands with 3-pyridyl donor groups Chem. Sci., 2015, 6, 1004
7107553	CIF	C254 H318 Ag6 N24 O18 P12 S6	P a -3	39.4527; 39.4527; 39.4527 90; 90; 90	61409	Nicola Giri; William Clegg; Ross W. Harrington; Peter N. Horton; Michael B. Hursthouse; Stuart L. James Selective formation of a polar incomplete coordination cage induced by remote ligand substituents Chem.Commun., 2012, 48, 4061
4510868	CIF	C212 H236 Co16 Na4 O80 P8 S16	I 41/a c d :2	31.0238; 31.0238; 63.8894 90; 90; 90	61492	Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6) Crystal Growth & Design, 2014, 14, 3116
7117214	CIF	C96 H40 Cd5 O34	R -3 c :H	29.1653; 29.1653; 83.513 90; 90; 120	61520	Hongming He; Yang Song; Chuanqi Zhang; Fuxing Sun; Rongrong Yuan; Zheng Bian; Lianxun Gao; Guangshan Zhu A highly robust metal-organic framework based on an aromatic 12-carboxyl ligand with highly selective adsorption of CO2 over CH4 Chem.Commun., 2015, 51, 9463
4126425	CIF	C400 H600 Ag141 Br12 S40	P b c n	28.4956; 46.9834; 45.952 90; 90; 90	61521.5	Ren, Liting; Yuan, Peng; Su, Haifeng; Malola, Sami; Lin, Shuichao; Tang, Zichao; Teo, Boon K.; Häkkinen, Hannu; Zheng, Lansun; Zheng, Nanfeng Bulky Surface Ligands Promote Surface Reactivities of [Ag141X12(S-Adm)40](3+) (X = Cl, Br, I) Nanoclusters: Models for Multiple-Twinned Nanoparticles. Journal of the American Chemical Society, 2017
4332657	CIF	C221 H180 Cl51 D17 I6 N6 O18 P12 Pd6	R -3 :H	50.7094; 50.7094; 27.6292 90; 90; 120	61528	Elsegood, Mark R. J.; Smith, Martin B.; Staniland, Paul M. Neutral Molecular Pd6Hexagons Using κ3-P2O-Terdentate Ligands Inorganic Chemistry, 2006, 45, 6761-6770
4301074	CIF	C182 H111 N17.5 O36 Ti4	R -3 c :H	20.844; 20.844; 163.55 90; 90; 120	61538	Michael D. Pluth; Darren W. Johnson; Géza Szigethy; Anna V. Davis; Simon J. Teat; Allen G. Oliver; Robert G. Bergman; Kenneth N. Raymond Structural Consequences of Anionic Host-Cationic Guest Interactions in a Supramolecular Assembly Inorganic Chemistry, 2009, 48, 111-120
7022369	CIF	C34 H20 Cu2 N2 O10	P a -3	39.484; 39.484; 39.484 90; 90; 90	61555	Lu, Weigang; Yuan, Daqiang; Makal, Trevor A.; Wei, Zhangwen; Li, Jian-Rong; Zhou, Hong-Cai Highly porous metal-organic framework sustained with 12-connected nanoscopic octahedra. Dalton transactions (Cambridge, England : 2003), 2013, 42, 1708-1714
4126424	CIF	C400 H600 Ag141 Cl12 S40	P b c n	28.3815; 47.031; 46.147 90; 90; 90	61597	Ren, Liting; Yuan, Peng; Su, Haifeng; Malola, Sami; Lin, Shuichao; Tang, Zichao; Teo, Boon K.; Häkkinen, Hannu; Zheng, Lansun; Zheng, Nanfeng Bulky Surface Ligands Promote Surface Reactivities of [Ag141X12(S-Adm)40](3+) (X = Cl, Br, I) Nanoclusters: Models for Multiple-Twinned Nanoparticles. Journal of the American Chemical Society, 2017
7709836	CIF	C80 H52 Cu22 K9 Nd4 O133	I 4 3 2	39.498; 39.498; 39.498 90; 90; 90	61621	Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties Dalton Transactions, 2022
4315529	CIF	C55 H104 Li O4 P3 Si6 Sn	F -4 3 c	39.504; 39.504; 39.504 90; 90; 90	61649	Keith Izod; John Stewart; Ewan R. Clark; William Clegg; Ross W. Harrington Germanium(II) and Tin(II) Complexes of a Sterically Demanding Phosphanide Ligand Inorganic Chemistry, 2010, 49, 4698-4707
1569944	CIF	C517 H643 Au12 B12 Cl12 F48 N63 O28 Pd6	R -3 :H	30.373; 30.373; 77.172 90; 90; 120	61655	Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H. Broadening the catalytic region from the cavity to windows by M<sub>6</sub>L<sub>12</sub> nanospheres in cyclizations. Chemical science, 2023, 14, 11699-11707
4340346	CIF	C24 H27 Dy3 N6 O12	I -4 3 m	39.5241; 39.5241; 39.5241 90; 90; 90	61743	Du, Miao; Chen, Min; Wang, Xi; Wen, Jiong; Yang, Xiao-Gang; Fang, Shao-Ming; Liu, Chun-Sen Versatile Mesoporous Dy(III) Coordination Framework for Highly Efficient Trapping of Diverse Pollutants. Inorganic chemistry, 2014, 53, 7074-7076
7019332	CIF	C111 H195 B3 F12 Fe6 N12 O33	R -3 c :H	26.5317; 26.5317; 101.306 90; 90; 120	61758.4	Mason, Kevin; Chang, John; Prescimone, Alessandro; Garlatti, Elena; Carretta, Stefano; Tasker, Peter A.; Brechin, Euan K. Linking [M(III)(3)] triangles with "double-headed" phenolic oximes. Dalton transactions (Cambridge, England : 2003), 2012, 41, 8777-8785
4128520	CIF	C260 H220 B9 Cl F36 N30 Zn5	P 1 21/c 1	46.5552; 25.4416; 54.939 90; 108.29; 90	61784	Zhang, Liang; Stephens, Alexander J.; Lemonnier, Jean-François; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Robinson, Christopher J.; Leigh, David A. Coordination Chemistry of a Molecular Pentafoil Knot. Journal of the American Chemical Society, 2019, 141, 3952-3958
7709835	CIF	C60 H42 Cu16.5 K6.75 O100.12 Pr3	I 4 3 2	39.543; 39.543; 39.543 90; 90; 90	61831	Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties Dalton Transactions, 2022
4131419	CIF	C204 H144 Eu4 F36 N48 O63 S12	C 1 2/c 1	46.803; 39.504; 35.3743 90; 109.002; 90	61840	Liu, Cui-Lian; Zhang, Rui-Ling; Lin, Chen-Sheng; Zhou, Li-Peng; Cai, Li-Xuan; Kong, Jin-Tao; Yang, Song-Qiu; Han, Ke-Li; Sun, Qing-Fu Intraligand Charge Transfer Sensitization on Self-Assembled Europium Tetrahedral Cage Leads to Dual-Selective Luminescent Sensing toward Anion and Cation. Journal of the American Chemical Society, 2017, 139, 12474-12479
7130344	CIF	C204 H144 N6 O72 Rh12	R -3 c :H	31.4131; 31.4131; 72.4411 90; 90; 120	61906.6	Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers Chemical Communications, 2022
7709834	CIF	C20 H14 Cu5.5 K2.25 O33.38 Pr	I 4 3 2	39.5746; 39.5746; 39.5746 90; 90; 90	61980	Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties Dalton Transactions, 2022
7130346	CIF	C216 H180 N6 O72 Rh12	R -3 c :H	31.2593; 31.2593; 73.3075 90; 90; 120	62035.1	Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers Chemical Communications, 2022
2022596	CIF HKL Paper	C24 H588 Ce6 Mo124 N4 Na4 O664	C 1 2/c 1	54.272; 38.896; 31.734 90; 112.145; 90	62048	Al-Sayed, Emir; Tanuhadi, Elias; Giester, Gerald; Rompel, Annette Synthesis and characterization of the `Japanese rice-ball'-shaped Molybdenum Blue Na~4~[Mo~2~O~2~(OH)~4~(C~6~H~4~NO~2~)~2~]~2~[Mo~120~Ce~6~O~366~H~12~(OH)~2~(H~2~O)~76~]∼ 200H~2~O Acta Crystallographica Section C, 2022, 78
4332655	CIF	C223 H188 Cl57 D17 N6 O20 P12 Pd6	R -3 :H	50.9328; 50.9328; 27.6308 90; 90; 120	62075	Elsegood, Mark R. J.; Smith, Martin B.; Staniland, Paul M. Neutral Molecular Pd6Hexagons Using κ3-P2O-Terdentate Ligands Inorganic Chemistry, 2006, 45, 6761-6770
4301076	CIF	C179.75 H96 Co2.5 N16 O56.5 Ti4	R -3 c :H	20.5378; 20.5378; 169.966 90; 90; 120	62087	Michael D. Pluth; Darren W. Johnson; Géza Szigethy; Anna V. Davis; Simon J. Teat; Allen G. Oliver; Robert G. Bergman; Kenneth N. Raymond Structural Consequences of Anionic Host-Cationic Guest Interactions in a Supramolecular Assembly Inorganic Chemistry, 2009, 48, 111-120
4346659	CIF	C96 H256 Cl14 N6 O32 Ti6	P -4 21 c	33.2861; 33.2861; 56.069 90; 90; 90	62122	Zhang, Guanyun; Hou, Jie; Li, Mingzhong; Tung, Chen-Ho; Wang, Yifeng Counteranion-Stabilized Titanium(IV) Isopolyoxocationic Clusters Isolated from Water. Inorganic chemistry, 2016, 55, 4704-4709
7130342	CIF	C204 H156 N6 O66 Rh12	R -3 c :H	31.48; 31.48; 72.39 90; 90; 120	62127	Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers Chemical Communications, 2022
1544064	CIF	C84 H48 Cu3 O15	I m -3 m	39.618; 39.618; 39.618 90; 90; 90	62184	Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q. Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage Energy Environ. Sci., 2016, 9, 3279
1517223	CIF	C360 H426 Br24 Cd24 N24 Nd8 O144	P 1 21/c 1	31.07; 41.338; 48.828 90; 97.22; 90	62216	Yang, Xiaoping; Schipper, Desmond; Zhang, Lijie; Yang, Keqin; Huang, Shaoming; Jiang, Jijun; Su, Chengyong; Jones, Richard A. Anion dependent self-assembly of 56-metal Cd-Ln nanoclusters with enhanced near-infrared luminescence properties. Nanoscale, 2014, 6, 10569-10573
7129691	CIF	C32 H197 Cu11 K3 N32 Na4 Nb54 O184	C m c e	56.743; 19.9065; 55.091 90; 90; 90	62228	Wu, Yan-Lan; Wang, Yong-Jiang; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian Two high-nuclearity isopolyoxoniobates containing {Nb54 O151}-based helical nanotubes for the decomposition of chemical warfare agent simulants Chemical Communications, 2022
7056650	CIF	C264 H288 Ag12 F72 N48 P12	F d d d	31.573; 43.5; 45.318 90; 90; 90	62241	Fei, Fan; Lu, Taotao; Chen, Xue-tai; Xue, Ziling Ben Synthesis and structural characterization of metal complexes with macrocyclic tetracarbene ligands New J. Chem., 2017
1559072	CIF	C560 H556 B24 Cd12 F96 N148 O20	P 1 21/n 1	26.5845; 53.3766; 44.0442 90; 94.842; 90	62275	Argent, Stephen P.; Jackson, Fiona C.; Chan, Ho Man; Meyrick, Sam; Taylor, Christopher G. P.; Ronson, Tanya K.; Rourke, Jonathan P.; Ward, Michael D. A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces Chemical Science, 2020
4131761	CIF	C456 H320 Ag78 F126 P12 S42	C c c 2	43.0185; 48.2191; 30.0392 90; 90; 90	62311	Yang, Huayan; Yan, Juanzhu; Wang, Yu; Deng, Guocheng; Su, Haifeng; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Zheng, Nanfeng From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One Pot. Journal of the American Chemical Society, 2017, 139, 16113-16116
1551338	CIF	C259 H311 Cl3 N32 O83 P16 Si	C 1 2/c 1	42.984; 52.9718; 33.962 90; 126.304; 90	62319	Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA Nature Chemistry, 2018, 10, 511-518
4303010	CIF	C125 H98 Cl11 Cu2 F12 N8 P2	R -3 :H	26.457; 26.457; 102.846 90; 90; 120	62345	Michael Schmittel; Bice He; Jian Fan; Jan W. Bats; Marianne Engeser; Marc Schlosser; Hans-Jörg Deiseroth Cap for Copper(I) Ions! Metallosupramolecular Solid and Solution State Structures on the Basis of the Dynamic Tetrahedral [Cu(phenAr2)(py)2]+ Motif Inorganic Chemistry, 2009, 48, 8192-8200
7125947	CIF	C336 H240 N48 O48 Pd6	I 4/m	35.325; 35.325; 49.962 90; 90; 90	62345	Lee, Haeri; Kim, Dongwon; Oh, Hyejin; Jung, Ok-Sang Molecular balloon, Pd<sub>6</sub>L<sub>8</sub> cages: recognition of alkyl sulfate surfactants. Chemical communications (Cambridge, England), 2020, 56, 2841-2844
4118497	CIF	C308 H488 Au102 Br O99 S44	C 1 2/c 1	30.3; 57.1; 38.2 90; 109.3; 90	62377	Christine L. Heinecke; Thomas W. Ni; Sami Malola; Ville Mäkinen; O. Andrea Wong; Hannu Häkkinen; Christopher J. Ackerson Structural and Theoretical Basis for Ligand Exchange on Thiolate Monolayer Protected Gold Nanoclusters Journal of the American Chemical Society, 2012, 134, 13316-13322
4082615	CIF	C48 H60 K N3 Si	I a -3	39.675; 39.675; 39.675 90; 90; 90	62452.6	Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele Dearomatized BIAN Alkaline-Earth Alkyl Catalysts for the Intramolecular Hydroamination of Hindered Aminoalkenes Organometallics, 2014, 33, 206
1566798	CIF	C462 H719 N29 O236 P8 S0 V48	C 1 2/c 1	45.21; 27.4006; 55.215 90; 113.919; 90	62525	Guo, Ji; Liu, Junrui; Cui, Yingcui; Liu, Chuanhong; Wang, Yangming; Wang, Mou; Huang, Danmeng; Chen, Guanying; Wang, Wei; Xia, Debin; Fang, Xikui Timing matters: pre-assembly versus post-assembly functionalization of a polyoxovanadate–organic cuboid Chemical Science, 2022
7108022	CIF	C54 H36 Mn10 N24 O33	F -4 3 c	39.6914; 39.6914; 39.6914 90; 90; 90	62530	Le Wang; Jason Morales; Tao Wu; Xiang Zhao; Ward P. Beyermann; Xianhui Bu; Pingyun Feng Assembly of super-supertetrahedral metal-organic clusters into a hierarchical porous cubic framework Chem.Commun., 2012, 48, 7498
4301548	CIF	C38 H32 Co4 N2 O18	F m -3 m	39.693; 39.693; 39.693 90; 90; 90	62538	Hyungphil Chun; Heejin Jung; Jinwoo Seo Isoreticular Metal-Organic Polyhedral Networks Based on 5-Connecting Paddlewheel Motifs Inorganic Chemistry, 2009, 48, 2043-2047
7117762	CIF	C110 H56 Br2	I 41/a c d	39.709; 39.709; 39.724 90; 90; 90	62637	Melanie Kitchin; Kristina Konstas; Christopher J. Sumby; Milena L. Czyz; Peter Valente; Matthew R. Hill; Anastasios Polyzos; Christian J. Doonan Continuous flow synthesis of a carbon-based molecular cage macrocycle via a three-fold homocoupling reaction Chem.Commun., 2015, 51, 14231
7115969	CIF	C216 H96 N48 Ni18 O156	F m -3 m	39.7164; 39.7164; 39.7164 90; 90; 90	62648	Zhifeng Zhu; Yue-Ling Bai; Liangliang Zhang; Daofeng Sun; Jianhui Fang; Shourong Zhu Two nanocage anionic metal-organic frameworks with rht topology and {[M(H2O)6]6}12+ charge aggregation for rapid and selective adsorption of cationic dyes Chem.Commun., 2014, 50, 14674
4125936	CIF	C144 H64 F12 Hf6 O32	F d -3 m	39.7405; 39.7405; 39.7405 90; 90; 90	62762.5	Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S. Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy. Journal of the American Chemical Society, 2017, 139, 6253-6260
4110530	CIF	C264 H244 Cd32 Fe N6 S52	C 1 2/c 1	48.25; 48.65; 35.6515 90; 131.386; 90	62788	Nanfeng Zheng; Haiwei Lu; Xianhui Bu; Pingyun Feng Metal-Chelate Dye-Controlled Organization of Cd32S14(SPh)404- Nanoclusters into Three-Dimensional Molecular and Covalent Open Architecture Journal of the American Chemical Society, 2006, 128, 4528-4529
1548396	CIF	C28 H30 N4 Ni2 O15 S	I a -3	39.7584; 39.7584; 39.7584 90; 90; 90	62847.3	Feng, Rui; Jia, Yan-Yuan; Li, Zhao-Yang; Chang, Ze; Bu, Xian-He Enhancing the stability and porosity of penetrated metal-organic frameworks through the insertion of coordination sites. Chemical science, 2018, 9, 950-955
7130341	CIF	C252 H252 N6 O72 Rh12	R -3 c :H	31.6843; 31.6843; 72.349 90; 90; 120	62900	Broto-Ribas, Anna; Gutiérrez, Susana; Imaz, Inhar; Carné-Sánchez, Arnau; Gándara, Felipe; Juanhuix, Judith; Maspoch, Daniel Synthesis of the Two Isomers of Heteroleptic Rh12L6L’6 Metal-Organic Polyhedra by Screening of Complementary Linkers Chemical Communications, 2022
7115970	CIF	C216 H96 Co18 N48 O156	F m -3 m	39.7703; 39.7703; 39.7703 90; 90; 90	62903.8	Zhifeng Zhu; Yue-Ling Bai; Liangliang Zhang; Daofeng Sun; Jianhui Fang; Shourong Zhu Two nanocage anionic metal-organic frameworks with rht topology and {[M(H2O)6]6}12+ charge aggregation for rapid and selective adsorption of cationic dyes Chem.Commun., 2014, 50, 14674
4125938	CIF	C144 H64 F12 Hf6 O32	F d -3 m	39.7709; 39.7709; 39.7709 90; 90; 90	62906.6	Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S. Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy. Journal of the American Chemical Society, 2017, 139, 6253-6260
7209122	CIF	C166 H96 Cu24 N22 O78	F m -3 m	39.7834; 39.7834; 39.7834 90; 90; 90	62965.9	Lian, Ting-Ting; Chen, Shu-Mei; Wang, Fei; Zhang, Jian Metal‒organic framework architecture with polyhedron-in-polyhedron and further polyhedral assembly CrystEngComm, 2013, 15, 1036
7237688	CIF	C448 H160 Cu48 N56 O216	F m -3 m	39.7902; 39.7902; 39.7902 90; 90; 90	62998.2	Wu, Xue-Qian; Xie, Yabo; Liu, Jing-Hao; He, Tao; Zhang, Yong-Zheng; Yu, Jiamei; Kong, Xiang-Jing; Li, Jian-Rong Integrating multiple adsorption sites and tortuous diffusion paths into a metal‒organic framework for C3H4/C3H6 separation Journal of Materials Chemistry A, 2019, 7, 25254
4126363	CIF	C600 H660 N54 O24 Zn6	P n -3 n	39.819; 39.819; 39.819 90; 90; 90	63135	Benke, Bahiru Punja; Aich, Pulakesh; Kim, Younghoon; Kim, Kyung Lock; Rohman, Md Rumum; Hong, Soonsang; Hwang, In-Chul; Lee, Eun Hui; Roh, Joon Ho; Kim, Kimoon Iodide-Selective Synthetic Ion Channels Based on Shape-Persistent Organic Cages. Journal of the American Chemical Society, 2017, 139, 7432-7435
8000506	CIF	C24 H8 F2 O5.58 Zr	F d -3 m :2	39.823; 39.823; 39.823 90; 90; 90	63154	Liu, Zhiyu; Wang, Yangyang; Garcia-Garibay, Miguel A Rotational Dynamics of an Amphidynamic Zirconium Metal-Organic Framework Determined by Dielectric Spectroscopy. The journal of physical chemistry letters, 2021, 12, 5644-5648
7044890	CIF	C26 H16 Cu2 O10	F m -3 m	39.8231; 39.8231; 39.8231 90; 90; 90	63155	Chen, Fengli; Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing A pair of polymorphous metal-organic frameworks based on an angular diisophthalate linker: synthesis, characterization and gas adsorption properties. Dalton transactions (Cambridge, England : 2003), 2018, 47, 716-725
4126092	CIF	C144 H52 F24 Hf6 O32	F d -3 m	39.828; 39.828; 39.828 90; 90; 90	63178	Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S. Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy. Journal of the American Chemical Society, 2017, 139, 6253-6260
4126095	CIF	C144 H64 F12 O32 Zr6	F d -3 m	39.83167; 39.83167; 39.83167 90; 90; 90	63195.4	Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S. Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy. Journal of the American Chemical Society, 2017, 139, 6253-6260
4125935	CIF	C144 H64 F12 O32 Zr6	F d -3 m	39.8364; 39.8364; 39.8364 90; 90; 90	63217.9	Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S. Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy. Journal of the American Chemical Society, 2017, 139, 6253-6260
8000505	CIF	C24 H8 F2 O5.78 Zr	F d -3 m :2	39.846; 39.846; 39.846 90; 90; 90	63264	Liu, Zhiyu; Wang, Yangyang; Garcia-Garibay, Miguel A Rotational Dynamics of an Amphidynamic Zirconium Metal-Organic Framework Determined by Dielectric Spectroscopy. The journal of physical chemistry letters, 2021, 12, 5644-5648
4128584	CIF	C32.76 H17.52 Co2 D22.9 N1.38 O11.4	F m -3 m	39.85; 39.85; 39.85 90; 90; 90	63283	Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D. Understanding Gas Storage in Cuboctahedral Porous Coordination Cages. Journal of the American Chemical Society, 2019, 141, 12128-12138
4317272	CIF	C576 H1168 Ce12 N48 O332 S120	I a -3	39.854; 39.854; 39.854 90; 90; 90	63302	Yinfeng Han; Xiaoyan Li; Liqing Li; Chunlin Ma; Zhen Shen; You Song; Xiaozeng You Structures and Properties of Porous Coordination Polymers Based on Lanthanide Carboxylate Building Units Inorganic Chemistry, 2010, 49, 10781-10787
4128587	CIF	C28.19 H19.74 Co2 D9.07 N1.38 O10.65	F m -3 m	39.857; 39.857; 39.857 90; 90; 90	63316	Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D. Understanding Gas Storage in Cuboctahedral Porous Coordination Cages. Journal of the American Chemical Society, 2019, 141, 12128-12138
4128585	CIF	C30.07 H17.52 Co2 D12.18 N1.38 O11.4	F m -3 m	39.86; 39.86; 39.86 90; 90; 90	63330	Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D. Understanding Gas Storage in Cuboctahedral Porous Coordination Cages. Journal of the American Chemical Society, 2019, 141, 12128-12138
4125934	CIF	C144 H64 Hf6 N12 O32 S6	F d -3 m	39.867; 39.867; 39.867 90; 90; 90	63364	Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S. Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy. Journal of the American Chemical Society, 2017, 139, 6253-6260
1556543	CIF	C168 H170 Ag28 O17 P12 W4	C 1 2/c 1	57.246; 33.4588; 38.553 90; 120.882; 90	63375	Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>. Nanoscale, 2020, 12, 1617-1622
1547895	CIF	C228 H192 Cu24 N12 O132	F m -3 m	39.878; 39.878; 39.878 90; 90; 90	63416	Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe Evolution of form in metal–organic frameworks Nature Communications, 2017, 8, 14070
4125933	CIF	C168 H88 O32 Zr6	F d -3 m	39.8785; 39.8785; 39.8785 90; 90; 90	63418.6	Marshall, Ross J.; Kalinovskyy, Yaroslav; Griffin, Sarah L.; Wilson, Claire; Blight, Barry A.; Forgan, Ross S. Functional Versatility of a Series of Zr Metal-Organic Frameworks Probed by Solid-State Photoluminescence Spectroscopy. Journal of the American Chemical Society, 2017, 139, 6253-6260
7038567	CIF	C117.6 H140.75 F2 K2 N25.45 O51.95	F d d 2	52.08; 43.9225; 27.7395 90; 90; 90	63454	Mäkelä, T; Rissanen, K. Ion pair complexes and anion binding in the solution of a ditopic receptor. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6481-6490
4128580	CIF	C252 H242 Co24 N12 O109	F m -3 m	39.887; 39.887; 39.887 90; 90; 90	63459	Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D. Understanding Gas Storage in Cuboctahedral Porous Coordination Cages. Journal of the American Chemical Society, 2019, 141, 12128-12138
1551485	CIF	C279 H244.5 As8 F48 Fe4 N37.5 O24	C 1 2/c 1	53.942; 28.539; 41.2325 90; 90.231; 90	63475	Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke Signal transduction in a covalent post-assembly modification cascade Nature Chemistry, 2017, 9, 1276-1281
4125392	CIF	C315 Ag63 Br F72 P8 S36	R -3	25.2879; 25.2879; 114.758 90; 90; 120	63553.5	Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes. Journal of the American Chemical Society, 2017, 139, 31-34
4110531	CIF	C264 H244 Cd32 N6 Ru S52	C 1 2/c 1	48.448; 48.898; 35.851 90; 131.502; 90	63608	Nanfeng Zheng; Haiwei Lu; Xianhui Bu; Pingyun Feng Metal-Chelate Dye-Controlled Organization of Cd32S14(SPh)404- Nanoclusters into Three-Dimensional Molecular and Covalent Open Architecture Journal of the American Chemical Society, 2006, 128, 4528-4529
4509904	CIF	C133.53 H207.47 N8 O24	R -3 :H	49.7671; 49.7671; 29.6709 90; 90; 120	63642	Bardelang, David; Giorgi, Michel; Hornebecq, Virginie; Stepanov, Anatoli; Hardy, Micaël; Rizzato, Egon; Monnier, Valérie; Zaman, Md. Badruz; Chan, Gordon; Udachin, Konstantin; Enright, Gary; Tordo, Paul; Ouari, Olivier Hosting Various Guests Including Fullerenes and Free Radicals in Versatile Organic ParamagneticbTbkOpen Frameworks Crystal Growth & Design, 2014, 14, 467
4301547	CIF	C38 H32 N2 O18 Zn4	F m -3 m	39.931; 39.931; 39.931 90; 90; 90	63669	Hyungphil Chun; Heejin Jung; Jinwoo Seo Isoreticular Metal-Organic Polyhedral Networks Based on 5-Connecting Paddlewheel Motifs Inorganic Chemistry, 2009, 48, 2043-2047
1556541	CIF	C173 H189 Ag28 Mo4 O21 P12	C 1 2/c 1	57.47; 33.556; 39.361 90; 122.967; 90	63684	Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>. Nanoscale, 2020, 12, 1617-1622
4107330	CIF	C42 H40 N2 O18 Zn4	F m -3 m	39.938; 39.938; 39.938 90; 90; 90	63703	Hyungphil Chun Low-Level Self-Assembly of Open Framework Based on Three Different Polyhedra: Metal-Organic Analogue of Face-Centered Cubic Dodecaboride Journal of the American Chemical Society, 2008, 130, 800-801
4126278	CIF	C410 H287 Au103 S43	C 1 2/c 1	36.2023; 41.1857; 44.1204 90; 104.399; 90	63718	Higaki, Tatsuya; Liu, Chong; Zhou, Meng; Luo, Tian-Yi; Rosi, Nathaniel L.; Jin, Rongchao Tailoring the Structure of 58-Electron Gold Nanoclusters: Au103S2(S-Nap)41 and Its Implications. Journal of the American Chemical Society, 2017
7108715	CIF	C90 Ba10 Br N18 O158 V48	F d d d :2	34.779; 38.186; 47.98 90; 90; 90	63721	Katharina Kastner; Bianka Puscher; Carsten Streb Self-assembly of a tetrahedral 58-nuclear barium vanadium oxide cluster Chem.Commun., 2013, 49, 140
7121778	CIF	C50.24 H12.6 Cu4 D23.48 N1.56 O18.84	F m -3 m	39.942; 39.942; 39.942 90; 90; 90	63722	Gosselin, Eric J.; Lorzing, Gregory R.; Trump, Benjamin A.; Brown, Craig M.; Bloch, Eric D. Gas adsorption in an isostructural series of pillared coordination cages. Chemical communications (Cambridge, England), 2018, 54, 6392-6395
4125391	CIF	C379 H345 Ag63 B Cl6 F71.41 P8 S36	R -3	25.3369; 25.3369; 114.6628 90; 90; 120	63747	Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes. Journal of the American Chemical Society, 2017, 139, 31-34
1547896	CIF	C228 H192 Cu24 N12 O132	F m -3 m	39.954; 39.954; 39.954 90; 90; 90	63779	Jiyoung Lee; Ja Hun Kwak; Wonyoung Choe Evolution of form in metal–organic frameworks Nature Communications, 2017, 8, 14070
7243622	CIF	C172 H352 N24 O117 Pt4 S4	I -4 3 d	39.9546; 39.9546; 39.9546 90; 90; 90	63782.3	Aoki, Kentaro; Otsubo, Kazuya; Kitagawa, Hiroshi A square-shaped complex with an electron-acceptor ligand: unique cubic crystal symmetry and similarity to the inorganic mineral katoite CrystEngComm, 2021, 23, 7691-7697
7052285	CIF	C92 H90 Co N6 Na O45 S8 Yb0.33	R -3 c :H	32.197; 32.197; 71.112 90; 90; 120	63842	Smith, Christopher B.; Barbour, Leonard J.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N. Unlocking the elusive binding cavity in p-sulfonatocalix[8]arene New Journal of Chemistry, 2006, 30, 991
7121777	CIF	C34.9 Cu4 N2.71 O17.78	F m -3 m	39.9765; 39.9765; 39.9765 90; 90; 90	63887	Gosselin, Eric J.; Lorzing, Gregory R.; Trump, Benjamin A.; Brown, Craig M.; Bloch, Eric D. Gas adsorption in an isostructural series of pillared coordination cages. Chemical communications (Cambridge, England), 2018, 54, 6392-6395
4343287	CIF	C84 H174 Cu6 Dy6 N8 O48 P6	F d d d	35.7157; 39.248; 45.7355 90; 90; 90	64110.6	Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P. Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry. Inorganic chemistry, 2015, 150610150327001
4103459	CIF	C181 H198 Fe Si5	I 41/a :2	30.5806; 30.5806; 68.5594 90; 90; 90	64115	Chang-Zhi Li; Yutaka Matsuo; Eiichi Nakamura Octupole-like Supramolecular Aggregates of Conical Iron Fullerene Complexes into a Three-Dimensional Liquid Crystalline Lattice Journal of the American Chemical Society, 2010, 132, 15514-15515
7112539	CIF	C456 H390 Co24 O126 S24	I 4/m	34.1605; 34.1605; 54.943 90; 90; 90	64115	Du, Shangchao; Hu, Chunhua; Xiao, Ji-Chang; Tan, Huaqiao; Liao, Wuping A giant coordination cage based on sulfonylcalix[4]arenes. Chemical communications (Cambridge, England), 2012, 48, 9177-9179
7022368	CIF	C36 H24 Cu2 N2 O12	F m -3 m	40.026; 40.026; 40.026 90; 90; 90	64125	Lu, Weigang; Yuan, Daqiang; Makal, Trevor A.; Wei, Zhangwen; Li, Jian-Rong; Zhou, Hong-Cai Highly porous metal-organic framework sustained with 12-connected nanoscopic octahedra. Dalton transactions (Cambridge, England : 2003), 2013, 42, 1708-1714
4343294	CIF	C84 H174 Cu6 Gd6 N8 O48 P6	F d d d	35.8449; 39.1793; 45.6982 90; 90; 90	64177.6	Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P. Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry. Inorganic chemistry, 2015, 150610150327001
7132997	CIF	C132 H130 N6 O13 S3	I 1 2 1	51.7627; 21.7575; 57.0058 90; 90.443; 90	64199.5	Shields, Caitlin Elise; Fellowes, Thomas; Slater, Anna Grace; Cooper, Andrew; Andrews, Keith G.; Szczypiński, Filip Tomasz Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation Chemical Communications, 2024
1519416	CIF	C138 H78 O35 Y6	I m -3	40.048; 40.048; 40.048 90; 90; 90	64231	Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs Chem. Sci., 2015, 6, 4095
7104653	CIF	C39 H30 O10 Yb	F d d d :2	16.247; 48.939; 80.84 90; 90; 90	64280	White, Kiley A; Chengelis, Demetra A; Zeller, Matthias; Geib, Steven J; Szakos, Jessica; Petoud, Stéphane; Rosi, Nathaniel L Near-infrared emitting ytterbium metal-organic frameworks with tunable excitation properties. Chemical communications (Cambridge, England), 2009, 34, 4506-4508
4501030	CIF	C40 H74 Mn5 O22	I a -3	40.059; 40.059; 40.059 90; 90; 90	64284	Martínez Casado, F. J.; Fabelo, O.; Rodríguez-Velamazán, J. A.; Ramos Riesco, M.; Rodríguez Cheda, J. A.; Labrador, A.; Rodríguez-Blanco, C.; Campo, J.; Sánchez-Alarcos, V.; Müller, H. Manganese(II) Butyrate-Based MOFs: Structures, Thermal and Magnetic Properties Crystal Growth & Design, 2011, 11, 4080
1566241	CIF	C252 H222 Bi38 N6 O158 Ti14	R -3 c :H	24.8265; 24.8265; 120.4773 90; 90; 120	64308	Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2 Chemical Science, 2022
4132607	CIF	C490 H507 F108 Fe8 N75 O24 P18	C 1 2/c 1	36.2842; 36.3797; 49.0016 90; 95.956; 90	64333	Roberts, Derrick A.; Pilgrim, Ben S.; Sirvinskaite, Giedre; Ronson, Tanya K.; Nitschke, Jonathan R. Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe<sub>4</sub>L<sub>6</sub> Tetrahedron. Journal of the American Chemical Society, 2018, 140, 9616-9623
4343290	CIF	C84 H174 Cu6 N8 O48 P6 Tb6	F d d d	35.8531; 39.1902; 45.8138 90; 90; 90	64372.5	Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P. Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry. Inorganic chemistry, 2015, 150610150327001
7239551	CIF	C408 H592 Cu24 N76 O196	F m -3 m	40.0928; 40.0928; 40.0928 90; 90; 90	64446	Wang, Hai-Ning; Liu, Fu-Hong; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min Three neutral metal‒organic frameworks with micro- and meso-pores for adsorption and separation of dyes Journal of Materials Chemistry A, 2013, 1, 13060
7219474	CIF	C132 H79 N3 O66 Pb13 S24	F d -3 c :2	40.11; 40.11; 40.11 90; 90; 90	64529	Shen, Yu; Zhu, Hai-Bin; Hu, Jun; Zhao, Yue Construction of a metal‒organic framework by octuple intercatenation of discrete icosahedral coordination cages CrystEngComm, 2015, 17, 2080
1564708	CIF	C216 H235 N32 O44	C 1 2/c 1	33.0202; 65.6703; 31.087 90; 106.056; 90	64781	Yang, Miao; Qiu, Fenglei; M. El-Sayed, El-Sayed; Wang, Wenjing; du, shunfu; Su, Kongzhao; Yuan, Daqiang Water-Stable Hydrazone-Linked Porous Organic Cages Chemical Science, 2021
4132995	CIF	C288 H312 Mn24 O96	R -3 c :H	42.0383; 42.0383; 42.3916 90; 90; 120	64878	Rathnayake, Asanka S.; Fraser, Hector W. L.; Brechin, Euan K.; Dalgarno, Scott J.; Baumeister, Jakob E.; Rungthanaphatsophon, Pokpong; Walensky, Justin R.; Barnes, Charles L.; Atwood, Jerry L. Oxidation State Distributions Provide Insight into Parameters Directing the Assembly of Metal-Organic Nanocapsules. Journal of the American Chemical Society, 2018, 140, 13022-13027
4117960	CIF	C246.25 H168 Eu7 F18.75 N36 O54.75 S6.25	C 1 2 1	45.7446; 31.0966; 45.7325 90; 92.945; 90	64969	Gülay Bozoklu; Christelle Gateau; Daniel Imbert; Jacques Pécaut; Koen Robeyns; Yaroslav Filinchuk; Farah Memon; Gilles Muller; Marinella Mazzanti Metal-Controlled Diastereoselective Self-Assembly and Circularly Polarized Luminescence of a Chiral Heptanuclear Europium Wheel Journal of the American Chemical Society, 2012, 134, 8372-8375
4108267	CIF	C436 H556 Cu24 N28 O168	C m c e	44.289; 39.49; 37.176 90; 90; 90	65020	Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra Journal of the American Chemical Society, 2008, 130, 11650-11661
7121775	CIF	C56.86 H30.78 D17.44 Fe4 N3 O22.28	F m -3 m	40.216; 40.216; 40.216 90; 90; 90	65042	Gosselin, Eric J.; Lorzing, Gregory R.; Trump, Benjamin A.; Brown, Craig M.; Bloch, Eric D. Gas adsorption in an isostructural series of pillared coordination cages. Chemical communications (Cambridge, England), 2018, 54, 6392-6395
4128586	CIF	C36.89 H22.5 D10.52 Fe2 N1.65 O11.61	F m -3 m	40.233; 40.233; 40.233 90; 90; 90	65125	Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D. Understanding Gas Storage in Cuboctahedral Porous Coordination Cages. Journal of the American Chemical Society, 2019, 141, 12128-12138
4128583	CIF	C39.13 H22.5 D19.49 Fe2 N1.65 O11.61	F m -3 m	40.237; 40.237; 40.237 90; 90; 90	65144	Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D. Understanding Gas Storage in Cuboctahedral Porous Coordination Cages. Journal of the American Chemical Society, 2019, 141, 12128-12138
7121774	CIF	C55.76 H31.5 D19.56 Fe4 N3 O22.22	F m -3 m	40.251; 40.251; 40.251 90; 90; 90	65212	Gosselin, Eric J.; Lorzing, Gregory R.; Trump, Benjamin A.; Brown, Craig M.; Bloch, Eric D. Gas adsorption in an isostructural series of pillared coordination cages. Chemical communications (Cambridge, England), 2018, 54, 6392-6395
4130786	CIF	C330 H165 Cl8 Fe4 N51 O32	R -3 :H	26.1142; 26.1142; 110.422 90; 90; 120	65214	Ronson, Tanya K.; Pilgrim, Ben S.; Nitschke, Jonathan R. Pathway-Dependent Post-assembly Modification of an Anthracene-Edged M(II)4L6 Tetrahedron. Journal of the American Chemical Society, 2016, 138, 10417-10420
4502507	CIF	C1548 H2396 O756 S234 Zn98	P -3 c 1	33.3586; 33.3586; 67.839 90; 90; 120	65377	Yue, Qi; Sun, Qian; Cheng, Ai-Ling; Gao, En-Qing Metal−Organic Framework Based on [Zn4O(COO)6] Clusters: Rare 3D Kagomé Topology and Luminescence Crystal Growth & Design, 2010, 10, 44
4128582	CIF	C71.24 H45.4 D10.4 Fe4 N3.3 O23.22	F m -3 m	40.3; 40.3; 40.3 90; 90; 90	65451	Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; York, Arthur H. P.; Sturluson, Arni; Rowland, Casey A.; Yap, Glenn P. A.; Brown, Craig M.; Simon, Cory M.; Bloch, Eric D. Understanding Gas Storage in Cuboctahedral Porous Coordination Cages. Journal of the American Chemical Society, 2019, 141, 12128-12138
2004474	CIF Paper	C93 H81 Au B0.25 F5.5 P7.75 Pt3	F d -3 :2	40.302; 40.302; 40.302 90; 90; 90	65461	Muir, K. W.; Manojlovic-Muir, L.; Fullard, J. The PF~6~^{-^}/BF~4~^{-^} Mixed Salt of the Cluster Cation [Pt~3~(μ~3~-AuPPh~3~)(μ-dppm)~3~]^+^, dppm = Ph~2~PCH~2~PPh~2~ Acta Crystallographica Section C, 1996, 52, 295-297
7121776	CIF	C61.56 H40.32 D8.74 Fe4 N2.96 O23.3	F m -3 m	40.302; 40.302; 40.302 90; 90; 90	65461	Gosselin, Eric J.; Lorzing, Gregory R.; Trump, Benjamin A.; Brown, Craig M.; Bloch, Eric D. Gas adsorption in an isostructural series of pillared coordination cages. Chemical communications (Cambridge, England), 2018, 54, 6392-6395
7105789	CIF	C60 H36 N3 O13 Zn4	R -3 c :H	25.682; 25.682; 114.9 90; 90; 120	65631	Ronny Grunker; Irena Senkovska; Ralf Biedermann; Nicole Klein; Martin Lohe; Philipp Muller; Stefan Kaskel A highly porous Metal-Organic Framework with flexible corundum topology Chem.Commun., 2011, 47, 490
4122060	CIF	C470 H396 Cd12 F144 N73 O4 P23 S2	P -1	30.209; 43.725; 53.802 71.624; 86.963; 76.89	65672	Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R. Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures. Journal of the American Chemical Society, 2014, 136, 9491-9498
7022942	CIF	C82 H156 Cl12 Fe14 N34 O28	I m -3	40.4133; 40.4133; 40.4133 90; 90; 90	66004	Ako, Ayuk M.; Lan, Yanhua; Mereacre, Valeriu; Ruiz, Eliseo; Aravena, Daniel; Anson, Christopher E.; Powell, Annie K. Spins on a curved surface: an Fe(III)14 ferracalixarene. Dalton transactions (Cambridge, England : 2003), 2013, 42, 9606-9612
1557738	CIF	C120 H806 Mo132 N48 O676 S3	R -3 :H	32.3898; 32.3898; 72.8225 90; 90; 120	66162.6	Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics Chemical Science, 2020, 11, 2388-2393
7057214	CIF	C208 H263 N16 O64 Sm4 Zn8	C 1 2/c 1	45.9782; 49.2984; 31.8403 90; 113.392; 90	66239	Bo, Le; Wang, Shiqing; Schipper, Desmond; Yang, Xiaoping; Zhu, Ting; Tao, Junbin Self-assembly of luminescent Zn‒Ln (Ln = Sm and Nd) nanoclusters with a long-chain Schiff base ligand New Journal of Chemistry, 2018, 42, 7241
7232020	CIF	C108 H72 Co6 N18 O30	F d d 2	39.377; 43.654; 38.551 90; 90; 90	66267.8	Qin, Bo-Wen; Zhou, Bao-Lei; Cui, Zheng; Zhou, Lei; Zhang, Xiao-Ying; Li, Wen-Liang; Zhang, Jing-Ping Selective CO2 adsorption and theoretical simulation of a stable Co(ii)-based metal‒organic framework with tunable crystal size CrystEngComm, 2019, 21, 1564
1568764	CIF	C448 H312 F42 N40 O126 P7	C 1 2/c 1	41.464; 37.476; 43.38 90; 99.771; 90	66431	Zhong, Yulong; Sobiech, Thomas A.; Kauffmann, Brice; Song, Bo; Li, Xiaopeng; Ferrand, Yann; Huc, Ivan; Gong, Bing High-affinity single and double helical pseudofoldaxanes with cationic guests. Chemical science, 2023, 14, 4759-4768
1557739	CIF	C120 H926 Mo132 N48 O736 S3	R -3 :H	32.4465; 32.4465; 72.887 90; 90; 120	66453.3	Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics Chemical Science, 2020, 11, 2388-2393
7106039	CIF	H131 Mo24 Na12 O180 P17 Zn6	F d -3 c :2	40.5056; 40.5056; 40.5056 90; 90; 90	66458	Dong-Ying Du; Jun-Sheng Qin; Yang-Guang Li; Shun-Li Li; Ya-Qian Lan; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; En-Bo Wang An unprecedented 3D 8-connected pure inorganic framework based on nanosized {[Na12PO16H24][P4Mo6O31H6]4}15- clusters and zinc cations Chem.Commun., 2011, 47, 2832
4132719	CIF	C18.89 H8 Cu D7.56 N O4	P a -3	40.519; 40.519; 40.519 90; 90; 90	66524	Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D. Methane Storage in Paddlewheel-Based Porous Coordination Cages. Journal of the American Chemical Society, 2018, 140, 11153-11157
4132715	CIF	C17 H8 Cu N O4	P a -3	40.52; 40.52; 40.52 90; 90; 90	66529	Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D. Methane Storage in Paddlewheel-Based Porous Coordination Cages. Journal of the American Chemical Society, 2018, 140, 11153-11157
4132716	CIF	C20.25 H8 Cu D13 N O4	P a -3	40.53; 40.53; 40.53 90; 90; 90	66578	Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D. Methane Storage in Paddlewheel-Based Porous Coordination Cages. Journal of the American Chemical Society, 2018, 140, 11153-11157
4131879	CIF	C38 H276 As4 N19 Na17 O284 P4 W64	C 1 2/c 1	57.258; 15.0627; 77.278 90; 91.453; 90	66628	Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters. Journal of the American Chemical Society, 2018, 140, 2595-2601
2310113	CIF Paper	Al72.515 Cr4.928 Fe7.853 Pd22.498	P a -3	40.5405; 40.5405; 40.5405 90; 90; 90	66629.6	Fujita, Nobuhisa; Takano, Hikari; Yamamoto, Akiji; Tsai, An-Pang Cluster-packing geometry for Al-based F-type icosahedral alloys Acta Crystallographica Section A, 2013, 69, 322-340
4100571	CIF	C289 H244 Cd32 N2 P2 S52	I b c a	26.3539; 34.515; 73.258 90; 90; 90	66636	Journal of the American Chemical Society, 2005
7110444	CIF	C60 H872 Mo132 N42 Na30 O814	R -3 :H	32.4214; 32.4214; 73.249 90; 90; 120	66680	Müller, Achim; Fedin, Vladimir P.; Kuhlmann, Christoph; Bögge, Hartmut; Schmidtmann, Marc A hydrogen-bonded cluster with ‘onion-type’ structure, encapsulated and induced by a spherical cluster shell: [(H2O)n⊂ MoVI72MoV60O372(HCO2)30(H2O)72]42− Chemical Communications, 1999, 927
4328394	CIF	C180 K128 O998 U120	I m -3	40.554; 40.554; 40.554 90; 90; 90	66696	Jie Ling; Jie Qiu; Peter C. Burns Uranyl Peroxide Oxalate Cage and Core-Shell Clusters Containing 50 and 120 Uranyl Ions Inorganic Chemistry, 2012, 51, 2403-2408
4132634	CIF	C132 H64 O27 Zr6	P m -3 n	40.561; 40.561; 40.561 90; 90; 90	66731	Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M. Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 8958-8964
7110859	CIF	C276 H417 N18 O43.5 S24 Zn6	R -3 c :H	37.228; 37.228; 55.63 90; 90; 120	66770	Fox, O. Danny; Wilkinson, Emma J. S.; Beer, Paul D.; Drew, Michael G. B. Cadmium- and zinc-directed assembly of nano-sized, resorcarene-based host architectures which strongly bind C60 Chemical Communications, 2000, 391
4132996	CIF	C288 H312 Cl8 Mn24 O102	R -3 c :H	42.319; 42.319; 43.0661 90; 90; 120	66794	Rathnayake, Asanka S.; Fraser, Hector W. L.; Brechin, Euan K.; Dalgarno, Scott J.; Baumeister, Jakob E.; Rungthanaphatsophon, Pokpong; Walensky, Justin R.; Barnes, Charles L.; Atwood, Jerry L. Oxidation State Distributions Provide Insight into Parameters Directing the Assembly of Metal-Organic Nanocapsules. Journal of the American Chemical Society, 2018, 140, 13022-13027
4501031	CIF	C40 H74 Mn5 O22	I a -3	40.58; 40.58; 40.58 90; 90; 90	66825	Martínez Casado, F. J.; Fabelo, O.; Rodríguez-Velamazán, J. A.; Ramos Riesco, M.; Rodríguez Cheda, J. A.; Labrador, A.; Rodríguez-Blanco, C.; Campo, J.; Sánchez-Alarcos, V.; Müller, H. Manganese(II) Butyrate-Based MOFs: Structures, Thermal and Magnetic Properties Crystal Growth & Design, 2011, 11, 4080
4344043	CIF	C78 H56 N6 Ni O20 U2	F d d d	32.8519; 44.1088; 46.172 90; 90; 90	66906	Thuéry, Pierre; Harrowfield, Jack Structural Variations in the Uranyl/4,4'-Biphenyldicarboxylate System. Rare Examples of 2D →3D Polycatenated Uranyl-Organic Networks. Inorganic chemistry, 2015, 54, 8093-8102
7058679	CIF	C108 H72 N18 O30 Zn6	F d d 2	39.603; 43.585; 38.789 90; 90; 90	66953.6	Qin, Bo-Wen; Zhang, Xiao-Ying; Zhang, Jing-Ping A stable luminescent zinc‒organic framework as a dual-sensor toward Cu2+ and Cr2O72−, and excellent platform-encapsulated Ln3+ for systematic color tuning and white-light emission New Journal of Chemistry, 2019, 43, 13794
1548192	CIF	C229.5 H354 Cr14 Cu F28 N4 Ni2 O70.5	P c a b	28.9075; 29.7016; 78.032 90; 90; 90	66998.2	Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits Nature Communications, 2016, 7, 10240
4342676	CIF	C168 H96 N12 O58 Zn16	R -3 :H	51.07; 51.07; 29.743 90; 90; 120	67181	Xie, Wei; Zhang, Shu-Ran; Du, Dong-Ying; Qin, Jun-Sheng; Bao, Shao-Juan; Li, Jing; Su, Zhong-Min; He, Wen-Wen; Fu, Qiang; Lan, Ya-Qian Stable luminescent metal-organic frameworks as dual-functional materials to encapsulate ln(3+) ions for white-light emission and to detect nitroaromatic explosives. Inorganic chemistry, 2015, 54, 3290-3296
4132606	CIF	C640 H639 F138 Fe8 N86 P19	C 1 2/c 1	49.486; 28.207; 48.662 90; 96.856; 90	67439	Roberts, Derrick A.; Pilgrim, Ben S.; Sirvinskaite, Giedre; Ronson, Tanya K.; Nitschke, Jonathan R. Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe<sub>4</sub>L<sub>6</sub> Tetrahedron. Journal of the American Chemical Society, 2018, 140, 9616-9623
4119259	CIF	C18 H616 Cl3 Cu9 K90 N9 O876 Se12 W174	R -3 :H	46.5979; 46.5979; 35.8791 90; 90; 120	67469	Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates Journal of the American Chemical Society, 2013, 135, 1796-1805
1557737	CIF	C114 H810 Mo132 N46 O708 S2	R -3 :H	32.6262; 32.6262; 73.225 90; 90; 120	67503	Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics Chemical Science, 2020, 11, 2388-2393
4131438	CIF	C586 H580 Cl18 N66 O100.2 Ru6	P b c n	67.017; 31.4138; 32.1376 90; 90; 90	67658	Korom, Saša; Ballester, Pablo Attachment of a Ru<sup>II</sup> Complex to a Self-Folding Hexaamide Deep Cavitand. Journal of the American Chemical Society, 2017, 139, 12109-12112
7101342	CIF	C48 H984 Mo132 N52 O852	R -3 :H	32.6616; 32.6616; 73.307 90; 90; 120	67725	A.Muller; L.Toma; H.Bogge; M.Henry; E.T.K.Haupt; A.Mix; F.L. Sousa Different types of reactions inside a porous nanocapsule/artificial cell: structuring encapsulates being directed by internal surface deprotonations Chemical Communications, 2006
4121901	CIF	C32 H25 Fe3 O12	F m -3 m	40.77; 40.77; 40.77 90; 90; 90	67768	Liu, Tian-Fu; Zou, Lanfang; Feng, Dawei; Chen, Ying-Pin; Fordham, Stephen; Wang, Xuan; Liu, Yangyang; Zhou, Hong-Cai Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic Metathesis and Oxidation of Metal Nodes in a Single-Crystal to Single-Crystal Transformation. Journal of the American Chemical Society, 2014, 136, 7813
7115366	CIF	C104 H100 Cd2 Fe2 N8 O13	F 2 2 2	19.2468; 54.9054; 64.1439 90; 90; 90	67784	Zhiwei Yang; Chengfeng Zhu; Zijian Li; Yan Liu; Guohua Liu; Yong Cui Engineering chiral Fe(salen)-based metal-organic frameworks for asymmetric sulfide oxidation Chem.Commun., 2014, 50, 8775
4127833	CIF	C110 H62 O12	P -6 2 c	37.888; 37.888; 54.616 90; 90; 120	67898	Li, Penghao; Chen, Zhijie; Ryder, Matthew R.; Stern, Charlotte L.; Guo, Qing-Hui; Wang, Xingjie; Farha, Omar K.; Stoddart, J. Fraser Assembly of a Porous Supramolecular Polyknot from Rigid Trigonal Prismatic Building Blocks. Journal of the American Chemical Society, 2019, 141, 12998-13002
7101343	CIF	C64 H946 Mo132 N42 O872	R -3 :H	32.6802; 32.6802; 73.44 90; 90; 120	67926	A.Muller; L.Toma; H.Bogge; M.Henry; E.T.K.Haupt; A.Mix; F.L. Sousa Different types of reactions inside a porous nanocapsule/artificial cell: structuring encapsulates being directed by internal surface deprotonations Chemical Communications, 2006
7110857	CIF	C288 H450 Cd6 N18 O48 S24	R -3 c :H	37.653; 37.653; 55.359 90; 90; 120	67970	Fox, O. Danny; Wilkinson, Emma J. S.; Beer, Paul D.; Drew, Michael G. B. Cadmium- and zinc-directed assembly of nano-sized, resorcarene-based host architectures which strongly bind C60 Chemical Communications, 2000, 391
4131829	CIF	C112 H176 Au21.34 Cu1.66 N S16	C c c a :2	33.0713; 63.499; 32.3807 90; 90; 90	67999	Li, Qi; Lambright, Kelly J.; Taylor, Michael G.; Kirschbaum, Kristin; Luo, Tian-Yi; Zhao, Jianbo; Mpourmpakis, Giannis; Mokashi-Punekar, Soumitra; Rosi, Nathaniel L.; Jin, Rongchao Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping. Journal of the American Chemical Society, 2017, 139, 17779-17782
4132497	CIF	C174 H201.88 Cl6 N33 O30.5 Zn3	P 41 21 2	28.3964; 28.3964; 84.3978 90; 90; 90	68054.6	Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto Synthetic β-Barrel by Metal-Induced Folding and Assembly. Journal of the American Chemical Society, 2018, 140, 8644-8647
7119537	CIF	C273.9 H317.4 Au Cl29.2 Cu2 N24 O63.5 P4 S4	P 1 21/n 1	36.595; 37.093; 52.527 90; 107.21; 90	68109	Mihara, Nozomi; Yamada, Yasuyuki; Akine, Shigehisa; Sugimoto, Kunihisa; Tanaka, Kentaro Electronic perturbation of supramolecular conjugates of porphyrins and phthalocyanines. Chemical communications (Cambridge, England), 2017, 53, 2230-2232
7119035	CIF	C216 H228 F96 N72 Sb16 Zn8	P a -3	40.8424; 40.8424; 40.8424 90; 90; 90	68129	Jing Yang; Xiao-Yong Chang; Kiu-Chor Sham; Shek-Man Yiu; Hoi-Lun Kwong; Chi-Ming Che M8L12 cubic cages with all facial delta or facial lamda configuration: effects of surface anions on the occupancy of the cage and anion exchange Chem.Commun., 2016, 52, 5981
7126174	CIF	C648 H540 Cl0 Eu8 N96 O48	P 4/n :2	38.2; 38.2; 46.77 90; 90; 90	68249	Li, Xiao-Zhen; Zhou, Li-Peng; Hu, Shao-Jun; Cai, Li-Xuan; Guo, Xiao-Qing; Wang, Zhuo; Sun, Qing-Fu Metal ion adaptive self-assembly of photoactive lanthanide-based supramolecular hosts. Chemical communications (Cambridge, England), 2020, 56, 4416-4419
7020868	CIF	C68 H1012 Mo60 N68 Na4 O764 S60 W72	R -3 :H	32.6869; 32.6869; 73.762 90; 90; 120	68251	Schäffer, Christian; Todea, Ana Maria; Bögge, Hartmut; Floquet, Sébastien; Cadot, Emmanuel; Korenev, Vladimir S.; Fedin, Vladimir P.; Gouzerh, Pierre; Müller, Achim A further step towards tuning the properties of metal-chalcogenide nanocapsules by replacing skeletal oxide by sulphide ligands. Dalton transactions (Cambridge, England : 2003), 2013, 42, 330-333
7110858	CIF	C258 H408 Cd6 N18 O57 S24	R -3 c :H	37.517; 37.517; 56.042 90; 90; 120	68313	Fox, O. Danny; Wilkinson, Emma J. S.; Beer, Paul D.; Drew, Michael G. B. Cadmium- and zinc-directed assembly of nano-sized, resorcarene-based host architectures which strongly bind C60 Chemical Communications, 2000, 391
4121902	CIF	C32 H25 Cr3 N0 O12	F m -3 m	40.881; 40.881; 40.881 90; 90; 90	68323	Liu, Tian-Fu; Zou, Lanfang; Feng, Dawei; Chen, Ying-Pin; Fordham, Stephen; Wang, Xuan; Liu, Yangyang; Zhou, Hong-Cai Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic Metathesis and Oxidation of Metal Nodes in a Single-Crystal to Single-Crystal Transformation. Journal of the American Chemical Society, 2014, 136, 7813
4132496	CIF	C174 H211 Br6 N33 O32 Zn3	P 41 21 2	28.3931; 28.3931; 84.817 90; 90; 90	68377	Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto Synthetic β-Barrel by Metal-Induced Folding and Assembly. Journal of the American Chemical Society, 2018, 140, 8644-8647
1559791	CIF	C40 H535 Ce5 Mo122 N20 Na2 O616	P 21 21 21	38.1062; 38.2685; 46.9136 90; 90; 90	68413	She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures. Chemical science, 2020, 12, 2427-2432
4130473	CIF	C328 H234 F48 Mo12 N48 O105 S16 Zn8	F 4 3 2	40.9008; 40.9008; 40.9008 90; 90; 90	68422	Ramsay, William J.; Rizzuto, Felix J.; Ronson, Tanya K.; Caprice, Kenji; Nitschke, Jonathan R. Subtle Ligand Modification Inverts Guest Binding Hierarchy in M(II)8L6 Supramolecular Cubes. Journal of the American Chemical Society, 2016, 138, 7264-7267
7243919	CIF	Mo132 N25.8 O628.56 Se30	R -3 :H	32.7739; 32.7739; 73.5789 90; 90; 120	68444.8	Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N. Structural features of selenate based {Mo132} keplerate capsules CrystEngComm, 2022, 24, 321-329
4117203	CIF	C127.9 H130.9 Cl2.6 N4 Ni	F -4 3 c	40.95; 40.95; 40.95 90; 90; 90	68669	Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith Conformational Flexibility in Dodecasubstituted Porphyrins Journal of the American Chemical Society, 1996, 118, 10918-10919
1545006	CIF	C252 H330 Ag28 P4 Pt S18	C 1 2/c 1	50.8135; 29.3497; 49.1614 90; 110.274; 90	68775	Kang, Xi; Zhou, Meng; Wang, Shuxin; Jin, Shan; Sun, Guodong; Zhu, Manzhou; Jin, Rongchao The tetrahedral structure and luminescence properties of Bi-metallic Pt1Ag28(SR)18(PPh3)4 nanocluster Chem. Sci., 2017, 8, 2581
1554694	CIF	C260 H202 Cu4 N16 O23	P 1 21/n 1	38.372; 43.842; 41.771 90; 101.834; 90	68778	Maehara, Takeshi; Sekiya, Ryo; Harada, Kentaro; Haino, Takeharu Tunable enforced cavities inside self-assembled capsules Organic Chemistry Frontiers, 2019, 6, 1561
4321147	CIF	H668 M Na6 O814 P R6	P 1 21/c 1	27.7201; 38.5569; 65.349 90; 99.937; 90	68797	Achim Müller; Christian Beugholt; Hartmut Bögge; Marc Schmidtmann Influencing the Size of Giant Rings by Manipulating Their Curvatures: Na6[Mo120O366(H2O)48H12{Pr(H2O)5}6].(~200H2O) with Open Shell Metal Centers at the Cluster Surface Inorganic Chemistry, 2000, 39, 3112-3113
2020863	CIF HKL	C32 H22 N0 Ni3.17 O16	F m -3 m	40.9779; 40.9779; 40.9779 90; 90; 90	68810	Chen, Ying-Pin; Liu, Tian-Fu; Fordham, Stephen; Zhou, Hong-Cai Crystal engineering on superpolyhedral building blocks in metal‒organic frameworks applied in gas adsorption Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2015, 71, 613
4516793	CIF	C134 H126 N2 O46 Ti8 Zr2	R -3 c :H	32.89; 32.89; 73.485 90; 90; 120	68843	Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai [Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks. ACS central science, 2018, 4, 105-111
7209705	CIF	C90 H106 B6 Fe6 N58.75 O7.38 Zn5	I -4 3 d	40.9855; 40.9855; 40.9855 90; 90; 90	68847.9	Li, Yong-Hua; Min, Yong-Gang; Wang, Shi; Zuo, Jing-Lin; Wang, Lian-Hui; Huang, Wei An unusual (3,4)-connected cubic-C3N4 type network constructed with [FeIII(Tp)(CN)3]− (Tp− = hydrotris(pyrazolyl)borate) CrystEngComm, 2013, 15, 3772
7702087	CIF	C960 H192 O552 S192 Sr104	F m -3 c	41.0051; 41.0051; 41.0051 90; 90; 90	68947	Shen, Yu; Fan, Cong-Cong; Wei, Yu-Zhen; Du, Jie; Zhu, Hai-Bin; Zhao, Yue An anionic zeolite-like metal-organic framework (AZMOF) with a Moravia network for organic dye absorption through cation-exchange. Dalton transactions (Cambridge, England : 2003), 2016, 45, 10909-10915
1544745	CIF	C372 H446 Cd24 Eu8 N24 O142	P -4 n 2	42.723; 42.723; 37.856 90; 90; 90	69097	Yang, Xiaoping; Wang, Shiqing; Zhang, Lijie; Wang, Chenri; Zhu, Ting; Bo, Le; Huang, Shaoming Enhancement of the luminescence properties of high-nuclearity Cd-Ln (Ln = Eu and Nd) nanoclusters by the introduction of more energy transfer donors. Nanoscale, 2017, 9, 517-521
1562008	CIF	C61 H42 O17 Zr3	I 41 2 2	42.697; 42.697; 37.907 90; 90; 90	69106	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
4125446	CIF	C48 H32 Cl2 Fe6 O30	F m -3 m	41.0408; 41.0408; 41.0408 90; 90; 90	69127	Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution. Journal of the American Chemical Society, 2017, 139, 1778-1781
4103429	CIF	C133 H235 Co Cr7 F8 N2 O38	P b c a	70.178; 31.5931; 31.206 90; 90; 90	69188	Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes Journal of the American Chemical Society, 2010, 132, 15435-15444
4338418	CIF	C528 H488 Cu8 N64 O56	P 4/n c c :2	47.335; 47.335; 30.894 90; 90; 90	69221	Islas, María S; Martínez Medina, Juan J; López Tévez, Libertad L; Rojo, Teófilo; Lezama, Luis; Griera Merino, Mercedes; Calleros, Laura; Cortes, María A; Rodriguez Puyol, Manuel; Echeverría, Gustavo A; Piro, Oscar E.; Ferrer, Evelina G.; Williams, Patricia A. M. Antitumoral, Antihypertensive, Antimicrobial, and Antioxidant Effects of an Octanuclear Copper(II)-Telmisartan Complex with an Hydrophobic Nanometer Hole. Inorganic chemistry, 2014, 53, 5724-5737
1544746	CIF	C389 H512 Cd24 N24 Nd8 O173.5	P -4 n 2	42.795; 42.795; 37.864 90; 90; 90	69345	Yang, Xiaoping; Wang, Shiqing; Zhang, Lijie; Wang, Chenri; Zhu, Ting; Bo, Le; Huang, Shaoming Enhancement of the luminescence properties of high-nuclearity Cd-Ln (Ln = Eu and Nd) nanoclusters by the introduction of more energy transfer donors. Nanoscale, 2017, 9, 517-521
4121900	CIF	C32 H22 Mg3 O12	F m -3 m	41.091; 41.091; 41.091 90; 90; 90	69381	Liu, Tian-Fu; Zou, Lanfang; Feng, Dawei; Chen, Ying-Pin; Fordham, Stephen; Wang, Xuan; Liu, Yangyang; Zhou, Hong-Cai Stepwise Synthesis of Robust Metal-Organic Frameworks via Postsynthetic Metathesis and Oxidation of Metal Nodes in a Single-Crystal to Single-Crystal Transformation. Journal of the American Chemical Society, 2014, 136, 7813
1549309	CIF	C386 H500 Cd24 N24 O177 Tb8	P -4 n 2	42.806; 42.806; 37.886 90; 90; 90	69421	Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A. A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging. Chemical science, 2018, 9, 4630-4637
7111384	CIF	C26 H934 Mo132 N77 O844 Pr7 S30	R -3 :H	32.8976; 32.8976; 74.076 90; 90; 120	69428	Müller, Achim; Zhou, Yunshan; Zhang, Lijuan; Bögge, Hartmut; Schmidtmann, Marc; Dressel, Martin; van Slageren, Joris En route to coordination chemistry under confined conditions in a porous capsule: Pr3+ with different coordination shells Chemical Communications, 2004, 2038-2039
4132498	CIF	C174 H202 I6 N33 O31 Zn3	P 41 21 2	28.4415; 28.4415; 85.872 90; 90; 90	69463.5	Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto Synthetic β-Barrel by Metal-Induced Folding and Assembly. Journal of the American Chemical Society, 2018, 140, 8644-8647
4120364	CIF	C456 H264 B20 F54 N72 O12.4 Pd12	C 1 2/m 1	47.453; 48.537; 38.13 90; 127.68; 90	69506	Kate Harris; Qing-Fu Sun; Sota Sato; Makoto Fujita M12L24 Spheres with Endo and Exo Coordination Sites: Scaffolds for Non-Covalent Functionalization Journal of the American Chemical Society, 2013, 135, 12497-12499
7210506	CIF	C168 H478 Cl36 Dy12 N24 O131	P a -3	41.1341; 41.1341; 41.1341 90; 90; 90	69599.5	Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4 CrystEngComm, 2011, 13, 2084-2090
1518932	CIF	C45 H162 Mo60 N22.5 O601.26 Se21.57 W72	R -3 :H	32.8171; 32.8171; 74.653 90; 90; 120	69627	Korenev, Vladimir S.; Abramov, Pavel A.; Vicent, Cristian; Zhdanov, Artem A.; Tsygankova, Alphiya R.; Sokolov, Maxim N.; Fedin, Vladimir P. Selenate as a novel ligand for keplerate chemistry. New {W72Mo60} keplerates with selenates inside the cavity. Dalton transactions (Cambridge, England : 2003), 2015, 44, 8839-8845
7110090	CIF	C258 H414 B240 Cu24 N6 O120	R -3	31.498; 31.498; 81.077 90; 90; 120	69662	Daniel J. Clingerman; Robert D. Kennedy; Joseph E. Mondloch; Amy A. Sarjeant; Joseph T. Hupp; Omar K. Farha; Chad A. Mirkin An exceptionally high boron content supramolecular cuboctahedron Chem.Commun., 2013, 49, 11485
7227855	CIF	C151 H132 Cs0 Cu4 N2 O20	R 3 2 :H	31.812; 31.812; 79.5235 90; 90; 120	69696	Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties CrystEngComm, 2017, 19, 2042
1558863	CIF	C30 H54 Au3 Co2 N6 Na3.33 O45 S6	I 21 3	41.171; 41.171; 41.171 90; 90; 90	69787	Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine Chemical Science, 2020
7130310	CIF	C267 H259 F13 N42 O42	P b c a	28.3005; 47.5333; 51.9586 90; 90; 90	69896	Koehler, Victor; Gauthier, Maxime; Yao, Chenhao; Fournel-Marotte, Karine; Waeles, Philip; Kauffmann, Brice; Huc, Ivan; Coutrot, Frédéric; Ferrand, Yann [3]Foldarotaxane-Mediated Synthesis of an Improbable [2]Rotaxane Chemical Communications, 2022
4345614	CIF	C96 Fe48 Li12 O956 P112 U48	F m -3 m	41.196; 41.196; 41.196 90; 90; 90	69914	Qiu, Jie; Dong, Sining; Szymanowski, Jennifer E. S.; Dobrowolska, Malgorzata; Burns, Peter C. Uranyl-Peroxide Clusters Incorporating Iron Trimers and Bridging by Bisphosphonate- and Carboxylate-Containing Ligands. Inorganic chemistry, 2017, 56, 3738-3741
4316757	CIF	C158 H592 Mo132 N80 O520	R -3 :H	32.93; 32.93; 74.55 90; 90; 120	70010	Toshihiro Yamase; Shun Kumagai; Petra V. Prokop; Eri Ishikawa; Adrian-Raul Tomsa {Mo96La8} Eggshell Ring and Self-Assembly to {Mo132} Keplerate through Mo-blue Intermediate, Involved in UV-Photolysis of [Mo7O24]6-/Carboxylic Acid System at pH 4 Inorganic Chemistry, 2010, 49, 9426-9437
7041765	CIF	C162 H176 Cl3 Fe7 N18 O64 S6 Si12	I a -3	41.2312; 41.2312; 41.2312 90; 90; 90	70094	Shova, Sergiu; Cazacu, Maria; Novitchi, Ghenadie; Zoppellaro, Giorgio; Train, Cyrille; Arion, Vladimir B. An iron(iii)-centred ferric wheel Fe⊂{Fe6} with a siloxane-based bis-salicylidene Schiff base. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1789-1793
7101358	CIF	C837 H1092 Br24 K6 N24 O168	R 3 :H	43.215; 43.215; 43.397 90; 90; 120	70187	Tetsuaki Tanaka; Yoichi Hiyama; Toshimasa Ishida; Naoyoshi Maezaki; Hirofumi Ohishi; Koji Tsukamoto Self-assembled octameric cage constructed by potassium salt of p-tert-butylcalix[6]arene p-bromophenylalanine derivative in solid state Chemical Communications, 2006
7037081	CIF	C84 H51.5 Fe7.5 N6 O39.5	F m -3 m	41.258; 41.258; 41.258 90; 90; 90	70230	Wei, Yong-Sheng; Shen, Jian-Qiang; Liao, Pei-Qin; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Synthesis and stabilization of a hypothetical porous framework based on a classic flexible metal carboxylate cluster. Dalton transactions (Cambridge, England : 2003), 2016, 45, 4269-4273
1558866	CIF	C378 H613 Au9 Co6 N18 Na10 O301.5 S18	C 1 2 1	48.57; 28.05; 52.051 90; 97.93; 90	70236	Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine Chemical Science, 2020
7037080	CIF	C84 H51.5 N6 Ni9 O41	F m -3 m	41.286; 41.286; 41.286 90; 90; 90	70373	Wei, Yong-Sheng; Shen, Jian-Qiang; Liao, Pei-Qin; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Synthesis and stabilization of a hypothetical porous framework based on a classic flexible metal carboxylate cluster. Dalton transactions (Cambridge, England : 2003), 2016, 45, 4269-4273
4121281	CIF	C128 H244 Au23 N S16	C c c a :2	33.2055; 64.785; 32.7759 90; 90; 90	70508	Anindita Das; Tao Li; Katsuyuki Nobusada; Chenjie Zeng; Nathaniel L. Rosi; Rongchao Jin Nonsuperatomic [Au23(SC6H11)16]- Nanocluster Featuring Bipyramidal Au15 Kernel and Trimeric Au3(SR)4 Motif Journal of the American Chemical Society, 2013, 135, 18264-18267
7119036	CIF	C232 H240 Cd8 F48 N72 O48 S16	P a -3	41.313; 41.313; 41.313 90; 90; 90	70512	Jing Yang; Xiao-Yong Chang; Kiu-Chor Sham; Shek-Man Yiu; Hoi-Lun Kwong; Chi-Ming Che M8L12 cubic cages with all facial delta or facial lamda configuration: effects of surface anions on the occupancy of the cage and anion exchange Chem.Commun., 2016, 52, 5981
4303582	CIF	C64 H100 Ni3 P4 S8	R -3 :H	44.592; 44.592; 41.023 90; 90; 120	70643	Kuppuswamy Arumugam; Mohamed C. Shaw; P. Chandrasekaran; Dino Villagrán; Thomas G. Gray; Joel T. Mague; James P. Donahue Synthesis, Structures, and Properties of 1,2,4,5-Benzenetetrathiolate Linked Group 10 Metal Complexes Inorganic Chemistry, 2009, 48, 10591-10607
4305964	CIF	C64 H100 Ni3 P4 S8	R -3 :H	44.592; 44.592; 41.023 90; 90; 120	70643	Kuppuswamy Arumugam; Rongmin Yu; Dino Villagrán; Thomas G. Gray; Joel T. Mague; James P. Donahue A Convergent Approach to the Synthesis of Multimetallic Dithiolene Complexes Inorganic Chemistry, 2008, 47, 5570-5572
4316369	CIF	C132 H96 F24 N16 P4 Pd4	F d d d :2	44.0262; 22.4503; 71.5704 90; 90; 90	70740	Guo-Hong Ning; Liao-Yuan Yao; Li-Xia Liu; Ting-Zheng Xie; Yi-Zhi Li; Yu Qin; Yuan-Jiang Pan; Shu-Yan Yu Self-Assembly and Host-Guest Interaction of Metallomacrocycles Using Fluorescent Dipyrazole Linker with Dimetallic Clips Inorganic Chemistry, 2010, 49, 7783-7792
4132637	CIF	C132 H64 O27 Zr6	P m -3 n	41.367; 41.367; 41.367 90; 90; 90	70788	Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M. Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 8958-8964
7128042	CIF	C16 H64 Cu8 K20 N16 Na19 Nb144 O478	P 1 21/n 1	39.8703; 28.1508; 63.1542 90; 92.711; 90	70803.7	Liang, Zhijie; Qiao, Yuanyuan; Li, Xue; Ma, Pengtao; Niu, Jingyang; Wang, Jingping A large copper-niobate cluster with the pagoda-shaped subunit {Nb<sub>20</sub>O<sub>59</sub>}. Chemical communications (Cambridge, England), 2021, 57, 3999-4002
7041326	CIF	C73 H66 Cl6 O27 Zn3	I 41/a c d	36.5743; 36.5743; 52.9725 90; 90; 90	70860	Zavakhina, Marina S.; Yushina, Irina V.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.; Argent, Stephen P.; Blake, Alexander J.; Schröder, Martin Halochromic coordination polymers based on a triarylmethane dye for reversible detection of acids. Dalton transactions (Cambridge, England : 2003), 2017, 46, 465-470
7101359	CIF	C849 H1212 Br24 K12 N24 O219	R 3 :H	43.053; 43.053; 44.166 90; 90; 120	70897	Tetsuaki Tanaka; Yoichi Hiyama; Toshimasa Ishida; Naoyoshi Maezaki; Hirofumi Ohishi; Koji Tsukamoto Self-assembled octameric cage constructed by potassium salt of p-tert-butylcalix[6]arene p-bromophenylalanine derivative in solid state Chemical Communications, 2006
4349361	CIF	C16 H12 N20 O8 Zn3	F d -3 :2	41.393; 41.393; 41.393 90; 90; 90	70922	Jiang, Zhi-Qiang; Wang, Fei; Zhang, Jian Adsorption of Iodine Based on a Tetrazolate Framework with Microporous Cages and Mesoporous Cages. Inorganic chemistry, 2016, 55, 13035-13038
1558864	CIF	C30 H54 Au3 Co2 N6 Na3.33 O45 S6	I 21 3	41.407; 41.407; 41.407 90; 90; 90	70994	Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine Chemical Science, 2020
1548413	CIF	C109 H96 Ag16 F32 N16 O45	R -3	50.0474; 50.0474; 32.7348 90; 90; 120	71007.4	Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls Philosophical Transactions of the Royal Society A, 2017, 375, 1-16
7705802	CIF	C120 H180 Ag13 Cu10 S12	F d -3 c :2	41.4111; 41.4111; 41.4111 90; 90; 90	71015	Bao, Yizheng; Wu, Xiaohang; Gao, Hongjie; Zhou, Manman; Chen, Shuang; Jin, Shan; Yu, Haizhu; Zhu, Manzhou The geometric and electronic structures of a Ag<sub>13</sub>Cu<sub>10</sub>(SAdm)<sub>12</sub>X<sub>3</sub> nanocluster. Dalton transactions (Cambridge, England : 2003), 2020, 49, 17164-17168
7121563	CIF	C360 H198 Cu12 N18 O60	R -3 c :H	32.322; 32.322; 78.505 90; 90; 120	71027	Omoto, Kenichiro; Hosono, Nobuhiko; Gochomori, Mika; Albrecht, Ken; Yamamoto, Kimihisa; Kitagawa, Susumu Anisotropic convergence of dendritic macromolecules facilitated by a heteroleptic metal-organic polyhedron scaffold. Chemical communications (Cambridge, England), 2018, 54, 5209-5212
2312115	CIF HKL Paper	C210 H150 Ag32 Au12 O60 S30	R -3 c :H	25.7341; 25.7341; 124.079 90; 90; 120	71162	Conn, Brian E.; Bhattarai, Badri; Atnagulov, Aydar; Yoon, Bokwon; Landman, Uzi; Bigioni, Terry P. <i>M</i><sub>4</sub>Au<sub>12</sub>Ag<sub>32</sub>(<i>p</i>-MBA)<sub>30</sub> (<i>M</i> = Na, Cs) bimetallic monolayer-protected clusters: synthesis and structure. Acta crystallographica. Section E, Crystallographic communications, 2018, 74, 987-993
4118926	CIF	C86 H456 Mo84 N2.5 Na43.5 O416 S48	F m -3	41.4417; 41.4417; 41.4417 90; 90; 90	71173	Fatma Bannani; Sébastien Floquet; Nathalie Leclerc-Laronze; Mohamed Haouas; Francis Taulelle; Jérôme Marrot; Paul Kögerler; Emmanuel Cadot Cubic Box versus Spheroidal Capsule Built from Defect and Intact Pentagonal Units Journal of the American Chemical Society, 2012, 134, 19342-19345
7108645	CIF	C56 H24 Cl Cu4 O16	F m -3 c	41.4543; 41.4543; 41.4543 90; 90; 90	71238	Yun-Nan Gong; Miao Meng; Di-Chang Zhong; Yong-Liang Huang; Long Jiang; Tong-Bu Lu Counter-cation modulation of hydrogen and methane storage in a sodalite-type porous metal-organic framework Chem.Commun., 2012, 48, 12002
4347659	CIF	C98 H108 F24 N12 P4 Ru2 S4	C 1 2/c 1	44.902; 40.884; 38.996 90; 95.497; 90	71259	Chen, Bin; Lv, Zhong-Peng; Hua, Carol; Leong, Chanel F.; Tuna, Floriana; D'Alessandro, Deanna M; Collison, David; Zuo, Jing-Lin Dinuclear Ruthenium Complex Based on a π-Extended Bridging Ligand with Redox-Active Tetrathiafulvalene and 1,10-Phenanthroline Units. Inorganic chemistry, 2016, 55, 4606-4615
7118642	CIF	C84 H48 N6 Ni9 O41	F m -3 m	41.4694; 41.4694; 41.4694 90; 90; 90	71315.4	Ren, Guo-Jian; Chang, Ze; Xu, Jian; Hu, Zhenpeng; Liu, Yan-Qing; Xu, Yue-Ling; Bu, Xian-He Construction of a polyhedron decorated MOF with a unique network through the combination of two classic secondary building units. Chemical communications (Cambridge, England), 2016, 52, 2079-2082
4511962	CIF	C72.67 H40 In2 O21.83	R -3 :H	44.1252; 44.1252; 42.2961 90; 90; 120	71319	Cho, Eun-Young; Gu, Ja-Min; Choi, In-Hwan; Kim, Wan-Seok; Hwang, Yong-Kyung; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee Encapsulation of Various Guests by an Anionic In-Metal‒Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal‒Organic Framework Crystal Growth & Design, 2014, 14, 5026
4349662	CIF	C45 H27 Cu2 N5 O13	I m -3 m	41.4734; 41.4734; 41.4734 90; 90; 90	71336	Lu, Zhiyong; Zhang, Jianfeng; He, Haiyan; Du, Liting; Hang, Cheng A mesoporous (3,36)-connected txt-type metal‒organic framework constructed by using a naphthyl-embedded ligand exhibiting high CO2 storage and selectivity Inorganic Chemistry Frontiers, 2017, 4, 736
7709771	CIF	C144 H134 F18 N4 O22 P8 Pd4 S6	F d d d :2	34.0893; 39.0572; 53.629 90; 90; 90	71403	Ferrer, Montserrat; Gallen, Albert; Martínez, Manuel; Rocamora, Mercè; Puttreddy, Rakesh; Rissanen, Kari Homo- and and heterometallic chiral dynamic architectures from allyl-palladium(II) building blocks Dalton Transactions, 2022
4129504	CIF	C119.68001 O290.64267 S14.96 Zr20.84	I m -3	41.49; 41.49; 41.49 90; 90; 90	71422	Taylor, Jared M.; Komatsu, Tokutaro; Dekura, Shun; Otsubo, Kazuya; Takata, Masaki; Kitagawa, Hiroshi The Role of a Three Dimensionally Ordered Defect Sublattice on the Acidity of a Sulfonated Metal-Organic Framework. Journal of the American Chemical Society, 2015, 137, 11498-11506
7127114	CIF	C552 H418 F72 N24 O72 P24 Pd12 S24	C m c 21	18.6651; 51.156; 74.909 90; 90; 90	71525	O'Connor, Helen M; Coletta, Marco; Etcheverry-Berríos, Alvaro; Nichol, Gary S.; Brechin, Euan K.; Lusby, Paul J. Kinetic selection of Pd<sub>4</sub>L<sub>2</sub> metallocyclic and Pd<sub>6</sub>L<sub>3</sub> trigonal prismatic assemblies. Chemical communications (Cambridge, England), 2020, 56, 11799-11802
4130788	CIF	C1.17 H0.53 O0.24 Zr0.05	P m -3 n	41.512; 41.512; 41.512 90; 90; 90	71535	Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles. Journal of the American Chemical Society, 2016, 138, 12234-12242
4130790	CIF	C1.25 Hf0.05 O0.26	P m -3 n	41.516; 41.516; 41.516 90; 90; 90	71556	Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles. Journal of the American Chemical Society, 2016, 138, 12234-12242
7037079	CIF	C84 H50 N12 Ni6 O26	F m -3 m	41.5216; 41.5216; 41.5216 90; 90; 90	71585	Wei, Yong-Sheng; Shen, Jian-Qiang; Liao, Pei-Qin; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Synthesis and stabilization of a hypothetical porous framework based on a classic flexible metal carboxylate cluster. Dalton transactions (Cambridge, England : 2003), 2016, 45, 4269-4273
4125448	CIF	C84 H56 Co9 N6 O41	F m -3 m	41.5308; 41.5308; 41.5308 90; 90; 90	71632.6	Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution. Journal of the American Chemical Society, 2017, 139, 1778-1781
4303583	CIF	C64 H100 Ni2 P4 Pt S8	R -3 :H	45.132; 45.132; 40.629 90; 90; 120	71670	Kuppuswamy Arumugam; Mohamed C. Shaw; P. Chandrasekaran; Dino Villagrán; Thomas G. Gray; Joel T. Mague; James P. Donahue Synthesis, Structures, and Properties of 1,2,4,5-Benzenetetrathiolate Linked Group 10 Metal Complexes Inorganic Chemistry, 2009, 48, 10591-10607
4305960	CIF	C64 H100 Ni2 P4 Pt S8	R -3 :H	45.132; 45.132; 40.629 90; 90; 120	71670	Kuppuswamy Arumugam; Rongmin Yu; Dino Villagrán; Thomas G. Gray; Joel T. Mague; James P. Donahue A Convergent Approach to the Synthesis of Multimetallic Dithiolene Complexes Inorganic Chemistry, 2008, 47, 5570-5572
4125447	CIF	C84 H52 Co3 Fe6 N6 O41	F m -3 m	41.5406; 41.5406; 41.5406 90; 90; 90	71683.4	Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution. Journal of the American Chemical Society, 2017, 139, 1778-1781
4516290	CIF	C135 H0 N54 O6 Zn15	I 41 3 2	41.5408; 41.5408; 41.5408 90; 90; 90	71684	Wang, Fei; Fu, Hong-Ru; Zhang, Jian Homochiral Metal‒Organic Framework with Intrinsic Chiral Topology and Helical Channels Crystal Growth & Design, 2015, 15, 1568
4130631	CIF	C168 H132 Co4 F72 N24 P12	R -3 c :H	20.5996; 20.5996; 195.2193 90; 90; 120	71741.6	Burke, Michael J.; Nichol, Gary S.; Lusby, Paul J. Orthogonal Selection and Fixing of Coordination Self-Assembly Pathways for Robust Metallo-organic Ensemble Construction. Journal of the American Chemical Society, 2016, 138, 9308-9315
7108223	CIF	C180 Co6 N12 O44 Zn8	F 4 3 2	41.5687; 41.5687; 41.5687 90; 90; 90	71828.9	Teng Zhang; Feijie Song; Wenbin Lin Blocking bimolecular activation pathways leads to different regioselectivity in metal-organic framework catalysis Chem.Commun., 2012, 48, 8766
7104644	CIF	C84 H138 Cd4 N46 O18	P a -3	41.5947; 41.5947; 41.5947 90; 90; 90	71963.8	Ouellette, Wayne; Zubieta, Jon Solid state coordination chemistry of microporous metal-organic frameworks of the cadmium(ii)-4-pyridyltetrazolate family: the structural influences of chloride incorporation. Chemical communications (Cambridge, England), 2009, 34, 4533-4535
4106570	CIF	C178 H148 Ce4 N30 O31	R -3 c :H	30.927; 30.927; 86.9 90; 90; 120	71982	Jian Wang; Cheng He; Pengyan Wu; Jing Wang; Chunying Duan An Amide-Containing Metal-Organic Tetrahedron Responding to a Spin-Trapping Reaction in a Fluorescent Enhancement Manner for Biological Imaging of NO in Living Cells Journal of the American Chemical Society, 2011, 133, 12402-12405
4118040	CIF	C150 H168 B6 Cl24 Cu6 F24 N24 S6	F d -3 :2	41.603; 41.603; 41.603 90; 90; 90	72007	Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties. Journal of the American Chemical Society, 2012, 134, 9142-9145
1557709	CIF	C288 H330 Cu2 Na2 O496 P6 W72	I 2 3	41.6063; 41.6063; 41.6063 90; 90; 90	72024	Jiang, Zhan-Guo; Mao, Wei-Tao; Huang, Dan-Ping; Wang, Yu; Wang, Xiao-Juan; Zhan, Cai-Hong A nonconventional host-guest cubic assembly based on γ-cyclodextrin and a Keggin-type polyoxometalate. Nanoscale, 2020, 12, 10166-10171
4511963	CIF	C72 H36 In2 O16	R -3 :H	44.2269; 44.2269; 42.519 90; 90; 120	72026	Cho, Eun-Young; Gu, Ja-Min; Choi, In-Hwan; Kim, Wan-Seok; Hwang, Yong-Kyung; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee Encapsulation of Various Guests by an Anionic In-Metal‒Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal‒Organic Framework Crystal Growth & Design, 2014, 14, 5026
4130789	CIF	C2.17 O0.45 Zr0.09	P m -3 n	41.616; 41.616; 41.616 90; 90; 90	72074	Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles. Journal of the American Chemical Society, 2016, 138, 12234-12242
7709772	CIF	C144 H134 F18 N4 O22 P8 Pd2 Pt2 S6	F d d d :2	34.1344; 39.0265; 54.2199 90; 90; 90	72229	Ferrer, Montserrat; Gallen, Albert; Martínez, Manuel; Rocamora, Mercè; Puttreddy, Rakesh; Rissanen, Kari Homo- and and heterometallic chiral dynamic architectures from allyl-palladium(II) building blocks Dalton Transactions, 2022
7122957	CIF	C852 H1272 Co4 Cr42 F48 Fe8 N18 Ni6 O256	P -1	30.4435; 41.9494; 61.4182 70.698; 78.434; 83.927	72458	Ferrando-Soria, Jesus; Fernandez, Antonio; Vitorica-Yrzebal, Inigo; Asthana, Deepak; Muryn, Christopher; Tuna, Floriana; Timco, Grigore A.; Winpenny, Richard E. P. Formation of an Interlocked Double-Chain from an Organic-Inorganic [2]Rotaxane Chemical Communications, 2019
4300074	CIF	C138 Mo96 N12 O328 P11	I 2 3	41.691; 41.691; 41.691 90; 90; 90	72464.8	Ulrich Kortz Polyoxometalate-Diphosphate Complexes. 5.1 Cigar-Shaped 30-Molybdobispyrophosphate: Structure of (N(C4H9)4)2H9[{(P2O7)Mo15O45}2][PMo12O40] Inorganic Chemistry, 2000, 39, 623-624
4124354	CIF	C720 H1306 N216 O577 Pd24	I 4/m	36.935; 36.935; 53.156 90; 90; 90	72515	Bhat, Imtiyaz Ahmad; Samanta, Dipak; Mukherjee, Partha Sarathi A Pd24 Pregnant Molecular Nanoball: Self-Templated Stellation by Precise Mapping of Coordination Sites. Journal of the American Chemical Society, 2015, 137, 9497-9502
1557710	CIF	C144 H165 Co Na O252 P3 W36	I 2 3	41.7665; 41.7665; 41.7665 90; 90; 90	72859	Jiang, Zhan-Guo; Mao, Wei-Tao; Huang, Dan-Ping; Wang, Yu; Wang, Xiao-Juan; Zhan, Cai-Hong A nonconventional host-guest cubic assembly based on γ-cyclodextrin and a Keggin-type polyoxometalate. Nanoscale, 2020, 12, 10166-10171
7016620	CIF	C266.5 H223.5 Cl16 N74.5 O81 Zn8	P 1 21/c 1	25.726; 42.927; 66.265 90; 94.909; 90	72911	Stephenson, Andrew; Ward, Michael D. Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications. Dalton transactions (Cambridge, England : 2003), 2011, 40, 10360-10369
4126192	CIF	C720 H816 Cu24 N48 O152 Zn32	F 41 3 2	41.7868; 41.7868; 41.7868 90; 90; 90	72965.5	Xia, Qingchun; Li, Zijian; Tan, Chunxia; Liu, Yan; Gong, Wei; Cui, Yong Multivariate Metal-Organic Frameworks as Multifunctional Heterogeneous Asymmetric Catalysts for Sequential Reactions. Journal of the American Chemical Society, 2017, 139, 8259-8266
4133534	CIF	C450 H540 N45 O323.5 S12 V65 W15	P 42/m m c	43.2511; 43.2511; 39.0469 90; 90; 90	73043	Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J. Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry. Journal of the American Chemical Society, 2018, 140, 17365-17368
1551478	CIF	C266 H240 Br12 Cu6 N18 O63 S7	R -3 :H	38.1839; 38.1839; 57.9645 90; 90; 120	73190.3	Flora L. Thorp-Greenwood; Alexander N. Kulak; Michaele J. Hardie An infinite chainmail of M6L6 metallacycles featuring multiple Borromean links Nature Chemistry, 2015, 7, 526-531
7707119	CIF	C532.73 H790.5 Cl8 Co32 N73.3 O136.83 S32	C 1 2/c 1	49.3116; 26.6728; 56.2706 90; 97.979; 90	73295	Zhang, Kai; Du, Shao-Wu A novel series of giant cobalt-calixarene macrocycles: ring-expansion and modulation of pore apertures through recrystallization. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6181-6187
4511961	CIF	C185 H75 In4 N O34	R -3 :H	45.597; 45.597; 40.718 90; 90; 120	73314	Cho, Eun-Young; Gu, Ja-Min; Choi, In-Hwan; Kim, Wan-Seok; Hwang, Yong-Kyung; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee Encapsulation of Various Guests by an Anionic In-Metal‒Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal‒Organic Framework Crystal Growth & Design, 2014, 14, 5026
1514473	CIF	C7 H5 Cu2 I N4 S	I a -3 d	41.856; 41.856; 41.856 90; 90; 90	73329	Shan, Xiao-chen; Jiang, Fei-long; Yuan, Da-qiang; Zhang, Hua-bin; Wu, Ming-yan; Chen, Lian; Wei, Jing; Zhang, Shu-quan; Pan, Jie; Hong, Mao-chun A multi-metal-cluster MOF with Cu4I4 and Cu6S6 as functional groups exhibiting dual emission with both thermochromic and near-IR character Chemical Science, 2013, 4, 1484
7119482	CIF	C72 H40 In2 O16	R -3 :H	44.874; 44.874; 42.074 90; 90; 120	73373	Panpan; Yu; Qipeng; Li; Yue; Hu; Nannan; Liu; Lijie; Zhang; Kongzhao; Su; Jinjie; Qian; Shaoming; Huang; Maochun; Hong Cuboctahedron-based indium-organic frameworks for gas sorption and selective cation exchange Chem.Commun., 2016, 52, 7978
7127762	CIF	C280 H406 Ag48 Au3 Cl7 F12 S28 Sb2	C 1 2/c 1	41.694; 29.9362; 62.1774 90; 108.961; 90	73396.4	Liu, Ying; Wang, Shuxin; Kang, Xi; Yin, Bing; Jin, Shan; Chen, Shuang; Zhu, Manzhou Heterogeneous metal alloy engineering: embryonic growth of M<sub>13</sub> icosahedra in Ag-based alloy superatomic nanoclusters. Chemical communications (Cambridge, England), 2020, 56, 14203-14206
2300690	CIF	Ca2.86 H7.67 O10.92 Si2.2	P 1	200; 3.675; 100 90; 90; 90	73500	Mesecke, Karsten; Warr, Laurence N.; Malorny, Winfried Structure modeling and quantitative X-ray diffraction of C-(A)-S-H Journal of Applied Crystallography, 2022, 55
1568379	CIF	C422 H299 B11.5 F47 N72 O27.75 Zn8	P 1 21/c 1	27.5152; 48.566; 55.058 90; 91.649; 90	73544	Li, Danyang; Liu, Xin; Yang, Linlin; Li, Hechuan; Guo, Guoxu; Li, Xuezhao; He, Cheng Highly efficient Förster resonance energy transfer between an emissive tetraphenylethylene-based metal-organic cage and the encapsulated dye guest. Chemical science, 2023, 14, 2237-2244
7103131	CIF	C264 H216 N24 O156 Zn24	F m -3 m	42.005; 42.005; 42.005 90; 90; 90	74114	Zou, Yang; Park, Mira; Hong, Seunghee; Lah, Myoung Soo A designed metal-organic framework based on a metal-organic polyhedron. Chemical communications (Cambridge, England), 2008, 2340-2342
7239659	CIF	C24 H20 Cu6 I4 N4 O10	R -3 c :H	49.2699; 49.2699; 35.3426 90; 90; 120	74301	Liu, Jin-Hua; Zhang, Jing; Zhao, Dan; Lin, Li-Dan; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian The incorporation of heterovalent copper-oxo and copper-halide clusters for the fabrication of three porous cluster organic frameworks: syntheses, structures and iodine adsorption/release study CrystEngComm, 2020, 22, 821-828
7123374	CIF	Cu17 Ga22 S88 Sn17	R 3	51.949; 51.949; 31.812 90; 90; 120	74349	Zhang, Jiaxu; Wang, Xiang; Lv, Jing; Li, Dong-Sheng; Wu, Tao A multivalent mixed-metal strategy for single-Cu±ion-bridged cluster-based chalcogenide open frameworks for sensitive nonenzymatic detection on glucose Chemical Communications, 2019
7705910	CIF	C528 H540 N128 O183 Sr24	F m -3 c	42.0581; 42.0581; 42.0581 90; 90; 90	74396	Diamantis, Stavros A.; Hatzidimitriou, Antonios; Plessas, Alexios K.; Pournara, Anastasia; Manos, Manolis J.; Papaefstathiou, Giannis S.; Lazarides, Theodore Alkaline earth-organic frameworks with amino derivatives of 2,6-naphthalene dicarboxylates: structural studies and fluorescence properties. Dalton transactions (Cambridge, England : 2003), 2020, 49, 16736-16744
7224810	CIF	C35.54 H40.21 O10.3	R 3 c :H	29.9017; 29.9017; 96.281 90; 90; 120	74553	Oliver, Clive L.; Báthori, Nikoletta B.; Jackson, Graham E.; Kuter, David; Cruickshank, Dyanne L. Solid-state isolation of a unique, small-molecule, supra-heterodimer of large hexameric assemblies of C-methylcalix[4]resorcinarene CrystEngComm, 2016, 18, 3015
7707118	CIF	C400 H464 Cl8 Co32 N24 O88 S32	C 1 2/c 1	66.638; 51.3655; 36.3667 90; 143.163; 90	74630	Zhang, Kai; Du, Shao-Wu A novel series of giant cobalt-calixarene macrocycles: ring-expansion and modulation of pore apertures through recrystallization. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6181-6187
4105548	CIF	C33 H15 Cu3 N3 O18	F m -3 m	42.153; 42.153; 42.153 90; 90; 90	74901	Baishu Zheng; Junfeng Bai; Jingui Duan; Lukasz Wojtas; Michael J. Zaworotko Enhanced CO2 Binding Affinity of a High-Uptakerht-Type Metal-Organic Framework Decorated with Acylamide Groups Journal of the American Chemical Society, 2011, 133, 748-751
7035457	CIF	C72 H117 As12 O104.5 S12 Th8	I a -3 d	42.1531; 42.1531; 42.1531 90; 90; 90	74901.2	Qian, Xiang-Ying; Zhou, Tian-Hua; Mao, Jiang-Gao New thorium(iv)-arsonates with a [Th8O13](6+) octanuclear core. Dalton transactions (Cambridge, England : 2003), 2015, 44, 13573-13580
7710343	CIF	C241 H250 Ce24 N26 O124 S30	R -3 :H	40.8409; 40.8409; 51.871 90; 90; 120	74928	Lv, Xinjie; Zhao, Xiao-li; Zhao, Qixin; Zheng, Qi; Xuan, Weimin Cerium-Oxo clusters for photocatalytic aerobic oxygenation of sulfides to sulfoxides Dalton Transactions, 2022
4123868	CIF	C276 H228 Cl12 Eu4 N36 O80	P 21 3	42.16895; 42.16895; 42.16895 90; 90; 90	74985.7	Yan, Liang-Liang; Tan, Chun-Hong; Zhang, Guang-Lu; Zhou, Li-Peng; Bünzli, Jean-Claude; Sun, Qing-Fu Stereocontrolled Self-Assembly and Self-Sorting of Luminescent Europium Tetrahedral Cages. Journal of the American Chemical Society, 2015, 137, 8550-8555
4503399	CIF	C78 H161.5 N30 O71.75 S6	I 4/m m m	55.6121; 55.6121; 24.2638 90; 90; 90	75040.8	Lin, Rong-Guang; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun Directing Role of Hydrophobic−Hydrophobic and Hydrophilic−Hydrophilic Interactions in the Self-Assembly of Calixarenes/Cucurbiturils-Based Architectures Crystal Growth & Design, 2008, 8, 791
4326925	CIF	C344 H224 N24 O60 Zn16	R 3 :H	52.143; 52.143; 31.87 90; 90; 120	75042	Manolis J. Manos; Marios S. Markoulides; Christos D. Malliakas; Giannis S. Papaefstathiou; Nikos Chronakis; Mercouri G. Kanatzidis; Pantelis N. Trikalitis; Anastasios J. Tasiopoulos A Highly Porous Interpenetrated Metal-Organic Framework from the Use of a Novel Nanosized Organic Linker Inorganic Chemistry, 2011, 50, 11297-11299
7108531	CIF	C189 H180 Ag15 F27 N48 O30 S9	R -3 c :H	22.115; 22.115; 178.02 90; 90; 120	75400	Xin He; Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang Designed synthesis of a metal cluster-pillared coordination cage Chem.Commun., 2012, 48, 10877
4134526	CIF	C90 H110 N26 O22.33 P1.33	P a -3	42.271; 42.271; 42.271 90; 90; 90	75531	Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages. Journal of the American Chemical Society, 2020, 142, 6304-6311
7102042	CIF	C228 H256 Fe4 N16 O52 Pt16	F d d d :2	15.8027; 62.629; 76.415 90; 90; 90	75628	Ohashi, Masato; Yagyu, Akihiro; Yamagata, Tsuneaki; Mashima, Kazushi Tetraplatinum precursors for supramolecular assemblies: syntheses, crystal structures, and stereoselective self-assemblies of [Pt4(micro-OCOCH3)6(kappa4-N4-DArBp)] (DArBp = 1,3-bis(arylbenzamidinate)propane). Chemical communications (Cambridge, England), 2007, 3103-3105
4117231	CIF	C1242 H1296 Cd66 N116 O316	P n n n :2	35.4763; 43.6363; 48.9095 90; 90; 90	75714.6	Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball Journal of the American Chemical Society, 2012, 134, 55-58
4105549	CIF	C34.5 H15 Co3 N3.75 O25.07	F m -3	42.3067; 42.3067; 42.3067 90; 90; 90	75723	Baishu Zheng; Junfeng Bai; Jingui Duan; Lukasz Wojtas; Michael J. Zaworotko Enhanced CO2 Binding Affinity of a High-Uptakerht-Type Metal-Organic Framework Decorated with Acylamide Groups Journal of the American Chemical Society, 2011, 133, 748-751
1569204	CIF	C192 H96 O64 S16	P 6 2 2	49.4947; 49.4947; 35.6973 90; 90; 120	75732.7	Zhang, Yuan; Ourri, Benjamin; Skowron, Pierre-Thomas; Jeamet, Emeric; Chetot, Titouan; Duchamp, Christian; Belenguer, Ana M.; Vanthuyne, Nicolas; Cala, Olivier; Dumont, Elise; Mandal, Pradeep K.; Huc, Ivan; Perret, Florent; Vial, Laurent; Leclaire, Julien Self-assembly of achiral building blocks into chiral cyclophanes using non-directional interactions. Chemical science, 2023, 14, 7126-7135
1101223	CIF	H1262 K43 Mo214 Na11 O1404 S12 V34	C 1 2/m 1	46.324; 42.268; 41.896 90; 112.549; 90	75763	Botar, Bogdan; Kögerler, Paul; Hill, Craig L. A Nanoring‒Nanosphere Molecule, {Mo~214~V~30~}: Pushing the Boundaries of Controllable Inorganic Structural Organization at the Molecular Level Journal of the American Chemical Society, 2006, 128, 5336-5337
4101229	CIF	H1262 K43 Mo214 Na11 O1404 S12 V34	C 1 2/m 1	46.324; 42.268; 41.896 90; 112.549; 90	75763	Journal of the American Chemical Society, 2006
4101188	CIF	C48 H30 Cu3 N6 O15	R -3 m :H	32.968; 32.968; 80.783 90; 90; 120	76039	Journal of the American Chemical Society, 2006
7225347	CIF	C46 H44 N4 Ni O8 S2	I a -3 d	42.3668; 42.3668; 42.3668 90; 90; 90	76046.1	Chen, Shufang; Hu, Jiyong; Zhao, Jin'an; Zhang, Jin; Yu, Huaibin; Zhi, Shuangcheng; Zhang, Junshuai; Gong, Zhanqiang Two cyclohexane-type octadecanuclear metalla-macrocycle-based metal organic frameworks and adsorption properties CrystEngComm, 2016, 18, 5353
4118036	CIF	C150 H168 Ag6 B6 Cl24 F24 N24 S6	F d -3 :2	42.382; 42.382; 42.382 90; 90; 90	76128	Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties. Journal of the American Chemical Society, 2012, 134, 9142-9145
1559290	CIF	C60 H82 Mo66 N12 O213 V11	F m -3 m	42.3973; 42.3973; 42.3973 90; 90; 90	76210	Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters. Nanoscale, 2020, 12, 20230-20238
4337037	CIF	C144 H120 Cl4 O40 Zr12	F m -3 m	42.4069; 42.4069; 42.4069 90; 90; 90	76262	Guoliang Liu; Zhanfeng Ju; Daqiang Yuan; Maochun Hong In Situ Construction of a Coordination Zirconocene Tetrahedron Inorganic Chemistry, 2013, 52, 13815-13817
4003639	CIF	C360 O91 Zn28	P -4 3 m	42.4115; 42.4115; 42.4115 90; 90; 90	76287	Dong, Jinqiao; Shen, Pingchuan; Ying, Shaoming; Li, Zi-Jian; Yuan, Yi Di; Wang, Yuxiang; Zheng, Xiaoyan; Peh, Shing Bo; Yuan, Hongye; Liu, Guoliang; Cheng, Youdong; Pan, Yutong; Shi, Leilei; Zhang, Jian; Yuan, Daqiang; Liu, Bin; Zhao, Zujin; Tang, Ben Zhong; Zhao, Dan Aggregation-Induced Emission-Responsive Metal‒Organic Frameworks Chemistry of Materials, 2020
4132298	CIF	C51 H12 F24 N6	C c c m	15.3843; 93.285; 53.37 90; 90; 90	76593	Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I. Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics. Journal of the American Chemical Society, 2018, 140, 6014-6026
4123543	CIF	C520 H672 Au133 S52	C 1 2/c 1	48.626; 38.971; 40.431 90; 90.252; 90	76616	Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy; Kumara, Chanaka; Jupally, Vijay Reddy; Fortunelli, Alessandro; Sementa, Luca; Barcaro, Giovanni; Zuo, Xiaobing; Noll, Bruce C. Au133(SPh-tBu)52 Nanomolecules: X-ray Crystallography, Optical, Electrochemical, and Theoretical Analysis. Journal of the American Chemical Society, 2015, 137, 4610-4613
4134525	CIF	C90 H114 N26 O22.33 P1.33	P a -3	42.4955; 42.4955; 42.4955 90; 90; 90	76741	Li, Boyang; Zheng, Bo; Zhang, Wenyao; Zhang, Dan; Yang, Xiao-Juan; Wu, Biao Site-Selective Binding of Peripheral Chiral Guests Induces Stereospecificity in A<sub>4</sub>L<sub>6</sub> Tetrahedral Anion Cages. Journal of the American Chemical Society, 2020, 142, 6304-6311
7105660	CIF	C456 H624 Cu24 O120 Si24	R -3 m :H	51.642; 51.642; 33.245 90; 90; 120	76783	Zhao, Dan; Yuan, Daqiang; Krishna, Rajamani; van Baten, Jasper M.; Zhou, Hong-Cai Thermosensitive gating effect and selective gas adsorption in a porous coordination nanocage. Chemical communications (Cambridge, England), 2010, 46, 7352-7354
4110709	CIF	C640 H1072 Cu24 N32 O176	I 41/a :2	33.5715; 33.5715; 68.2468 90; 90; 90	76917	Hiroyasu Furukawa; Jaheon Kim; Katherine E. Plass; Omar M. Yaghi Crystal Structure, Dissolution, and Deposition of a 5 nm Functionalized Metal-Organic Great Rhombicuboctahedron Journal of the American Chemical Society, 2006, 128, 8398-8399
7225348	CIF	C46 H44 N4 O9 S2 Zn	I a -3 d	42.559; 42.559; 42.559 90; 90; 90	77085.8	Chen, Shufang; Hu, Jiyong; Zhao, Jin'an; Zhang, Jin; Yu, Huaibin; Zhi, Shuangcheng; Zhang, Junshuai; Gong, Zhanqiang Two cyclohexane-type octadecanuclear metalla-macrocycle-based metal organic frameworks and adsorption properties CrystEngComm, 2016, 18, 5353
4125482	CIF	C324 H216 N40 Ru6	R -3	30.4451; 30.4451; 96.083 90; 90; 120	77128	Chakraborty, Sourav; Hong, Wei; Endres, Kevin J.; Xie, Ting-Zheng; Wojtas, Lukasz; Moorefield, Charles N.; Wesdemiotis, Chrys; Newkome, George R. Terpyridine-Based, Flexible Tripods: From a Highly Symmetric Nanosphere to Temperature-Dependent, Irreversible, 3D Isomeric Macromolecular Nanocages. Journal of the American Chemical Society, 2017, 139, 3012-3020
1568236	CIF	C216 H72 Au18 Cu32 F66 S36	F m -3 c	42.573; 42.573; 42.573 90; 90; 90	77162	Tang, Li; Wang, Bin; Wang, Ru; Wang, Shuxin Alloying and dealloying of Au<sub>18</sub>Cu<sub>32</sub> nanoclusters at precise locations <i>via</i> controlling the electronegativity of substituent groups on thiol ligands. Nanoscale, 2023, 15, 1602-1608
1559291	CIF	C60 H70 Ge9 Mo68 N12 O209	F m -3 m	42.593; 42.593; 42.593 90; 90; 90	77271	Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters. Nanoscale, 2020, 12, 20230-20238
1508091	CIF	C56 H32 Cu2 O12	I 41 2 2	30.7816; 30.7816; 81.603 90; 90; 90	77319	Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis. Nature chemistry, 2010, 2, 838-846
1508090	CIF	C60 H32 Cu2 O12	I 41 2 2	30.9491; 30.9491; 80.725 90; 90; 90	77322	Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis. Nature chemistry, 2010, 2, 838-846
1507797	CIF	C24 H12 Cu9 N12 O23	F m -3 m	42.606; 42.606; 42.606 90; 90; 90	77341	Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M. Hydrogen Storage in New Metal‒Organic Frameworks The Journal of Physical Chemistry C, 2012, 116, 13143
4510166	CIF	C72 H78 B54 Co3 Cu6 O30	I m m m	36.549; 38.148; 55.536 90; 90; 90	77432	Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A. Metallacarborane-Based Metal‒Organic Framework with a Complex Topology Crystal Growth & Design, 2014, 14, 1324
4105531	CIF	C588 H509 B32 F128 N150 O11 Zn16	C 1 2/c 1	31.117; 51.828; 48.797 90; 99.95; 90	77513	Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion Journal of the American Chemical Society, 2011, 133, 858-870
4515382	CIF	C258 H192 Cu24 N12 O144	R -3 c :H	27.4404; 27.4404; 119.124 90; 90; 120	77680	Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D. Ligand-Based Phase Control in Porous Molecular Assemblies. ACS applied materials & interfaces, 2018, 10, 11420-11424
1551500	CIF	C384 H306 F30 Fe6 N36 O24 P5	R -3 :H	47.726; 47.726; 39.415 90; 90; 120	77750	Liang Zhang; Alexander J. Stephens; Alina L. Nussbaumer; Jean-Francois Lemonnier; Pia Jurcek; Inigo J. Vitorica-Yrezabal; David A. Leigh Stereoselective synthesis of a composite knot with nine crossings Nature Chemistry, 2018, 10, 1083-1088
4347518	CIF	C324 H340 B12 N41 O84 Zn20	C 1 2/c 1	35.8409; 42.7516; 50.813 90; 91.528; 90	77830.8	Marmier, Mathieu; Wise, Matthew D.; Holstein, Julian J.; Pattison, Philip; Schenk, Kurt; Solari, Euro; Scopelliti, Rosario; Severin, Kay Carboxylic Acid Functionalized Clathrochelate Complexes: Large, Robust, and Easy-to-Access Metalloligands. Inorganic chemistry, 2016, 55, 4006-4015
4020320	CIF	C172 H310 B108 Co6 F12 N12 O18 P12 Pt6 S4	C 1 2/c 1	45.53; 33.5; 54.22 90; 109.04; 90	78188	Manuela Schweiger; Takuya Yamamoto; Peter J. Stang; Dieter Bläser; Roland Boese Journal of Organic Chemistry, 2005, 70, 4861-4864
7107816	CIF	C237 H246 Ce4 N44 O60	F d d d :2	18.303; 46.917; 91.25 90; 90; 90	78358	Yang Jiao; Jing Zhang; Lejie Zhang; Zhihua Lin; Cheng He; Chun-ying Duan Metal-organic polyhedra containing 36 and 24 folds of amide groups for selective luminescent recognition of natural disaccharides Chem.Commun., 2012, 48, 6022
4104641	CIF	C12 H6 Cu O5	F m -3 m	42.7958; 42.7958; 42.7958 90; 90; 90	78379.7	Dan Zhao; Daqiang Yuan; Daofeng Sun; Hong-Cai Zhou Stabilization of Metal-Organic Frameworks with High Surface Areas by the Incorporation of Mesocavities with Microwindows Journal of the American Chemical Society, 2009, 131, 9186-9188
1548347	CIF	C206 H163 B3.5 F14 I4.5 N41 O8 Zn4	C 1 2/c 1	47.061; 32.0425; 55.568 90; 110.406; 90	78535	Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions. Chemical science, 2018, 9, 1050-1057
7104710	CIF	C288 H144 Cu24 O120	F m -3 m	42.833; 42.833; 42.833 90; 90; 90	78583	Hong, Seunghee; Oh, Minhak; Park, Mira; Yoon, Ji Woong; Chang, Jong-San; Lah, Myoung Soo Large H2 storage capacity of a new polyhedron-based metal-organic framework with high thermal and hygroscopic stability. Chemical communications (Cambridge, England), 2009, 34, 5397-5399
4104640	CIF	C12 H6 O5 Zn	F m -3 m	42.8434; 42.8434; 42.8434 90; 90; 90	78641.5	Dan Zhao; Daqiang Yuan; Daofeng Sun; Hong-Cai Zhou Stabilization of Metal-Organic Frameworks with High Surface Areas by the Incorporation of Mesocavities with Microwindows Journal of the American Chemical Society, 2009, 131, 9186-9188
7104709	CIF	C288 H144 O120 Zn24	F m -3 m	42.854; 42.854; 42.854 90; 90; 90	78699	Hong, Seunghee; Oh, Minhak; Park, Mira; Yoon, Ji Woong; Chang, Jong-San; Lah, Myoung Soo Large H2 storage capacity of a new polyhedron-based metal-organic framework with high thermal and hygroscopic stability. Chemical communications (Cambridge, England), 2009, 34, 5397-5399
4108655	CIF	C528 H468 Cu8 N64 O32	P 4/n c c :2	48.488; 48.488; 33.48 90; 90; 90	78714	Jin'an Zhao; Liwei Mi; Jiyong Hu; Hongwei Hou; Yaoting Fan Cation Exchange Induced Tunable Properties of a Nanoporous Octanuclear Cu(II) Wheel with Double-Helical Structure Journal of the American Chemical Society, 2008, 130, 15222-15223
4102653	CIF	C69 H45 N6 O13 Zn4	F m -3 m	42.9245; 42.9245; 42.9245 90; 90; 90	79088.9	Kounosuke Oisaki; Qiaowei Li; Hiroyasu Furukawa; Alexander U. Czaja; Omar M. Yaghi A Metal-Organic Framework with Covalently Bound Organometallic Complexes Journal of the American Chemical Society, 2010, 132, 9262-9264
4122764	CIF	C156 H180 Ag6 Cl24 F36 N24 O6 P6 S6	F d -3 :2	42.95; 42.95; 42.95 90; 90; 90	79230	Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano Porous molecular crystals by macrocyclic coordination supramolecules. Journal of the American Chemical Society, 2014, 136, 14883-14895
1548346	CIF	C204 H158 B8 F32 N40 O7 Zn4	C 1 2/c 1	47.6161; 31.7486; 56.289 90; 111.305; 90	79279	Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions. Chemical science, 2018, 9, 1050-1057
1559070	CIF	C640 H644 B24 Cd12 F96 N188 O4	F 2 3	42.9589; 42.9589; 42.9589 90; 90; 90	79279.2	Argent, Stephen P.; Jackson, Fiona C.; Chan, Ho Man; Meyrick, Sam; Taylor, Christopher G. P.; Ronson, Tanya K.; Rourke, Jonathan P.; Ward, Michael D. A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces Chemical Science, 2020
4122459	CIF	C39 H108 Ge9 Si12 Sn	R -3 :H	64.496; 64.496; 22.031 90; 90; 120	79365	Li, Feng; Sevov, Slavi C. Synthesis, structures, and solution dynamics of tetrasubstituted nine-atom germanium deltahedral clusters. Journal of the American Chemical Society, 2014, 136, 12056-12063
4118037	CIF	C180 H240 Ag6 F36 N24 O12 P6 S6	F d -3 :2	42.99; 42.99; 42.99 90; 90; 90	79452	Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties. Journal of the American Chemical Society, 2012, 134, 9142-9145
4108181	CIF	C255 H552 Cl12 Fe64 N32 O327	R -3 c :H	28.8303; 28.8303; 110.4313 90; 90; 120	79491.6	Tao Liu; Yan-Juan Zhang; Zhe-Ming Wang; Song Gao A 64-Nuclear Cubic Cage Incorporating Propeller-like FeIII8 Apices and HCOO- Edges Journal of the American Chemical Society, 2008, 130, 10500-10501
4344942	CIF	C40 H138 Cl5 Gd9 N4 O94	P 2 3	43.0069; 43.0069; 43.0069 90; 90; 90	79545.3	Zheng, Xiu-Ying; Peng, Jun-Bo; Livera, M M Varuni S; Luo, Yun; Wang, Ya-Yun; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Zhiping; Zheng, Lan-Sun Selective Formation of Chromogen I from N-Acetyl-d-glucosamine upon Lanthanide Coordination. Inorganic chemistry, 2017, 56, 110-113
4508240	CIF	C426 H710 Cu24 N110 Na12 O266 S24	F m -3 m	43.0209; 43.0209; 43.0209 90; 90; 90	79623	Wei, Wei; Li, Wanlong; Wang, Xingzhu; He, Jieya A Designed Three-Dimensional Porous Hydrogen-Bonding Network Based on a Metal‒Organic Polyhedron Crystal Growth & Design, 2013, 13, 3843
4122762	CIF	C183 H204 Ag6 F36 N24 O6 P6 S6	F d -3 :2	43.025; 43.025; 43.025 90; 90; 90	79646	Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano Porous molecular crystals by macrocyclic coordination supramolecules. Journal of the American Chemical Society, 2014, 136, 14883-14895
4344941	CIF	C40 H138 Cl5 Dy9 N4 O94	P 2 3	43.0255; 43.0255; 43.0255 90; 90; 90	79648.5	Zheng, Xiu-Ying; Peng, Jun-Bo; Livera, M M Varuni S; Luo, Yun; Wang, Ya-Yun; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Zhiping; Zheng, Lan-Sun Selective Formation of Chromogen I from N-Acetyl-d-glucosamine upon Lanthanide Coordination. Inorganic chemistry, 2017, 56, 110-113
4128544	CIF	C143.99 H119.99 Cl6 N12 O40 Zr12	F m -3 m	43.026; 43.026; 43.026 90; 90; 90	79651.3	Liu, Jinjin; Duan, Wenjie; Song, Jie; Guo, Xiuxiu; Wang, Zhifang; Shi, Xinlei; Liang, Jiajie; Wang, Juan; Cheng, Peng; Chen, Yao; Zaworotko, Michael J.; Zhang, Zhenjie Self-Healing Hyper-Cross-Linked Metal-Organic Polyhedra (HCMOPs) Membranes with Antimicrobial Activity and Highly Selective Separation Properties. Journal of the American Chemical Society, 2019, 141, 12064-12070
1515256	CIF	C156 H60 N12 O50 Zn19	I a -3	43.03; 43.03; 43.03 90; 90; 90	79674	Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin Chemical Science, 2012, 3, 2823
7121970	CIF	C28 H19 Cu2 I0.4 N9 O10.2	F d -3 c :2	43.0555; 43.0555; 43.0555 90; 90; 90	79815.3	Ye, Chun-Rong; Zheng, Ji; Li, Mian; Huang, Xiao-Chun A zeolite-like MOF based on a heterotritopic linker of imidazolyl, carboxyl and pyridine with a long-sought uks net on Schwarz's D-surface. Chemical communications (Cambridge, England), 2018, 54, 8769-8772
4122763	CIF	C180 H234 Ag6 F42 N24 O12 P6 S6	F d -3 :2	43.087; 43.087; 43.087 90; 90; 90	79991	Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano Porous molecular crystals by macrocyclic coordination supramolecules. Journal of the American Chemical Society, 2014, 136, 14883-14895
4126252	CIF	C613 H632.66 Cl36 F32 N96 O96.33	P 1 c 1	36.365; 49.686; 46.097 90; 105.91; 90	80099	Wang, Xiang; Wicher, Barbara; Ferrand, Yann; Huc, Ivan Orchestrating Directional Molecular Motions: Kinetically Controlled Supramolecular Pathways of a Helical Host on Rodlike Guests. Journal of the American Chemical Society, 2017
4126701	CIF	C148 H98 N4 O38 Ti4	F d d d :2	38.4922; 41.1905; 50.5849 90; 90; 90	80203	He, Yan-Ping; Yuan, Lv-Bing; Chen, Guang-Hui; Lin, Qi-Pu; Wang, Fei; Zhang, Lei; Zhang, Jian Water Soluble and Ultra-Stable Ti4L6 Tetrahedron with Coordination Assembly Function. Journal of the American Chemical Society, 2017
4130177	CIF	C106 H70 N26 O24 S3 Zn9.5	C m c e	26.0154; 70.791; 43.7088 90; 90; 90	80497	Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks. Journal of the American Chemical Society, 2016, 138, 5299-5307
1564236	CIF	C118 H163 Ag3 Au6 Cu3 F9 N6 O33.5 P6 S6	R -3 c :H	33.804; 33.804; 81.734 90; 90; 120	80885	Takeda, Hiroto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi A mesoporous ionic solid with 272 AuI6AgI3CuII3 complex cations in a super huge crystal lattice Chemical Science, 2021
4104098	CIF	C132 H66 O39 S6 Zn12	P 63/m	42.1589; 42.1589; 52.5682 90; 90; 120	80916	Kyoungmoo Koh; Antek G. Wong-Foy; Adam J. Matzger A Porous Coordination Copolymer with over 5000 m2/g BET Surface Area Journal of the American Chemical Society, 2009, 131, 4184-4185
7112224	CIF	C66 H36 Cu3 O15	C 1 2/c 1	47.493; 51.7515; 32.9674 90; 92.69; 90	80939	Nianyong Zhu; Matthew J. Lennox; Tina Duren; Wolfgang Schmitt Polymorphism of metal-organic frameworks: direct comparison of structures and theoretical N2-uptake of topological pto- and tbo-isomers Chem.Commun., 2014, 50, 4207
1570609	CIF	Na156 O2880 Si1440	I -4 3 m	43.269; 43.269; 43.269 90; 90; 90	81008	Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials IUCrJ, 2024, 11, 62-72
4122761	CIF	C150 H168 Ag6 Cl12 F36 N24 P6 S6	F d -3 :2	43.3; 43.3; 43.3 90; 90; 90	81183	Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano Porous molecular crystals by macrocyclic coordination supramolecules. Journal of the American Chemical Society, 2014, 136, 14883-14895
4518777	CIF	C151 H130 Cl5 Ir0.5 N7.5 O40 Zr12	F m -3 m	43.339; 43.339; 43.339 90; 90; 90	81402	Qi, Xiangjuan; Zhong, Ronglin; Chen, Mengmeng; Sun, Chunyi; You, Siqi; Gu, Jianxia; Shan, Guogang; Cui, Dongxu; Wang, Xinlong; Su, Zhongmin Single Metal‒Organic Cage Decorated with an Ir(III) Complex for CO2 Photoreduction ACS Catalysis, 2021, 11, 7241-7248
7129579	CIF	C348 H296 N12 O48	I 41/a c d :2	65.655; 65.655; 18.9177 90; 90; 90	81546	Dong, Ming; Liu, Xiu; Zhang, Zhi-Yuan; Yu, Cheng-Mao; Huo, Bochao; Li, Chunju Synthesis of a Large-Cavity Carbazole Macrocycle for Size-Dependent Recognition Chemical Communications, 2022
4128893	CIF	C80 H183 Mo2 N5 O60 Te W16	R -3 :H	44.713; 44.713; 47.217 90; 90; 120	81752	Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates. Journal of the American Chemical Society, 2019, 141, 13479-13486
7713723	CIF	C186 H154 Ce Cl6 N8 O8	R -3 :H	41.9814; 41.9814; 53.6321 90; 90; 120	81860	Nishino, Toshio; Fukumura, Masafumi; Katao, Shohei; Yasuhara, Kazuma; Rapenne, Gwenael Multiply Engaged Molecular Gear composed of Cerium (IV) Double-Decker of a triptycene-functionalized Porphyrin Dalton Transactions, 2023
1566163	CIF	C608 H384 F60 N96 O64 Pd8 Sb10	P c c n	41.972; 70.711; 27.616 90; 90; 90	81961	Chen, Bin; Holstein, Julian J.; Platzek, André; Schneider, Laura; Wu, Kai; Clever, Guido H. Cooperativity of steric bulk and H-bonding in coordination sphere engineering: heteroleptic PdII cages and bowls by design Chemical Science, 2022
1518972	CIF	C252 H312 Ag37 F18 O24 S28	I 41/a c d	32.6712; 32.6712; 76.823 90; 90; 90	82001	Li, Xiao-Yu; Su, Hai-Feng; Yu, Kai; Tan, Yuan-Zhi; Wang, Xing-Po; Zhao, Ya-Qin; Sun, Di; Zheng, Lan-Sun A platonic solid templating Archimedean solid: an unprecedented nanometre-sized Ag37 cluster. Nanoscale, 2015, 7, 8284-8288
4133793	CIF	C141 H133 N3 O53 Y9	I m -3 m	43.475; 43.475; 43.475 90; 90; 90	82171	Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units. Journal of the American Chemical Society, 2019, 141, 20480-20489
4128884	CIF	C312 H160 N20 O60 Zn21	P m -3 m	43.4917; 43.4917; 43.4917 90; 90; 90	82266	Qiu, Yu-Chen; Yuan, Shuai; Li, Xiao-Xin; Du, Dong-Ying; Wang, Cong; Qin, Jun-Sheng; Drake, Hannah F.; Lan, Ya-Qian; Jiang, Lei; Zhou, Hong-Cai Face-Sharing Archimedean Solids Stacking for the Construction of Mixed-Ligand Metal-Organic Frameworks. Journal of the American Chemical Society, 2019, 141, 13841-13848
4133766	CIF	C16 H15 Cu3 N10 O5	F m -3 c	43.54745; 43.54745; 43.54745 90; 90; 90	82582.5	Zeng, Heng; Xie, Xiao-Jing; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Ting; Zhao, Yifang; Lu, Weigang; Li, Dan Cage-Interconnected Metal-Organic Framework with Tailored Apertures for Efficient C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> Separation under Humid Conditions. Journal of the American Chemical Society, 2019
4133765	CIF	C13 H8 Cu N9 O4 Zn2	F m -3 c	43.5489; 43.5489; 43.5489 90; 90; 90	82590.8	Zeng, Heng; Xie, Xiao-Jing; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Ting; Zhao, Yifang; Lu, Weigang; Li, Dan Cage-Interconnected Metal-Organic Framework with Tailored Apertures for Efficient C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> Separation under Humid Conditions. Journal of the American Chemical Society, 2019
4330514	CIF	C46 H21 Cu3 O15 Si	F m -3 m	43.5592; 43.5592; 43.5592 90; 90; 90	82649	XiaoLiang Zhao; Di Sun; Shuai Yuan; Shengyu Feng; Rong Cao; Daqiang Yuan; Suna Wang; Jianmin Dou; Daofeng Sun Comparison of the Effect of Functional Groups on Gas-Uptake Capacities by Fixing the Volumes of Cages A and B and Modifying the Inner Wall of Cage C in rht-Type MOFs Inorganic Chemistry, 2012, 51, 10350-10355
4330512	CIF	C78 H83 Cu3 N3 O21 Si	F m -3 m	43.5971; 43.5971; 43.5971 90; 90; 90	82865	XiaoLiang Zhao; Di Sun; Shuai Yuan; Shengyu Feng; Rong Cao; Daqiang Yuan; Suna Wang; Jianmin Dou; Daofeng Sun Comparison of the Effect of Functional Groups on Gas-Uptake Capacities by Fixing the Volumes of Cages A and B and Modifying the Inner Wall of Cage C in rht-Type MOFs Inorganic Chemistry, 2012, 51, 10350-10355
4134960	CIF	C400 H280 Cu24 O272 S24 Zr24	F m -3 m	43.599; 43.599; 43.599 90; 90; 90	82876	Gosselin, Eric J.; Decker, Gerald E.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D. A Charged Coordination Cage-Based Porous Salt. Journal of the American Chemical Society, 2020, 142, 9594-9598
4516468	CIF	C60 N152 O360 U60	F m m m	32.8783; 46.6442; 54.0834 90; 90; 90	82941	Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates Crystal Growth & Design, 2015, 16, 200
7233405	CIF	C72 H90 N6 O31 Zn7	F m -3 m	43.6114; 43.6114; 43.6114 90; 90; 90	82947	Verma, Pankaj; Singh, Udai P.; Butcher, Ray J. Luminescent metal organic frameworks for sensing and gas adsorption studies CrystEngComm, 2019, 21, 5470
4509486	CIF	C72 H92.5 O53.25 Zn7	F m -3 m	43.622; 43.622; 43.622 90; 90; 90	83007	Wu, Mingyan; Jiang, Feilong; Wei, Wei; Gao, Qiang; Huang, Yougui; Chen, Lian; Hong, Maochun A Porous Polyhedral Metal-Organic Framework Based on Zn2(COO)3and Zn2(COO)4SBUs Crystal Growth & Design, 2009, 9, 2559
4127128	CIF	C240 H264 Cl6 Mn6 N12 O55.5 Zr12	R 3 2	33.9622; 33.9622; 83.175 90; 90; 120	83084	Jiao, Jingjing; Tan, Chunxia; Li, Zijian; Liu, Yan; Han, Xing; Cui, Yong Design and Assembly of Chiral Coordination Cages for Asymmetric Sequential Reactions. Journal of the American Chemical Society, 2018
4117667	CIF	C72 H58 In2 Mg2 N0 O26	R -3 c :H	32.2214; 32.2214; 92.442 90; 90; 120	83117	Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu Development of Composite Inorganic Building Blocks for MOFs Journal of the American Chemical Society, 2012, 134, 4517-4520
7118595	CIF	C108 H48 In3 N12 O24	F m -3 m	43.645; 43.645; 43.645 90; 90; 90	83139	Wang, Xuan; Lu, Weigang; Gu, Zhi-Yuan; Wei, Zhangwen; Zhou, Hong-Cai Topology-guided design of an anionic bor-network for photocatalytic [Ru(bpy)3](2+) encapsulation. Chemical communications (Cambridge, England), 2016, 52, 1926-1929
4330513	CIF	C43 H30 Cu3 O15 Si	F m -3 m	43.6931; 43.6931; 43.6931 90; 90; 90	83413.9	XiaoLiang Zhao; Di Sun; Shuai Yuan; Shengyu Feng; Rong Cao; Daqiang Yuan; Suna Wang; Jianmin Dou; Daofeng Sun Comparison of the Effect of Functional Groups on Gas-Uptake Capacities by Fixing the Volumes of Cages A and B and Modifying the Inner Wall of Cage C in rht-Type MOFs Inorganic Chemistry, 2012, 51, 10350-10355
4115686	CIF	C203 H312 Fe4 K5 N19 O47	I -4 3 d	43.707; 43.707; 43.707 90; 90; 90	83494	Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1 Journal of the American Chemical Society, 2001, 123, 8923-8938
7128148	CIF	C24 H96 Cu6 N24 Nb68 O204	P n -3 n :2	43.7163; 43.7163; 43.7163 90; 90; 90	83546.9	Lin, Yu-Diao; Zhu, Zeng-Kui; Ge, Rui; Yu, Hao; Li, Zhong; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian Proton conductive polyoxoniobate frameworks constructed from nanoscale {Nb<sub>68</sub>O<sub>200</sub>} cages. Chemical communications (Cambridge, England), 2021, 57, 4702-4705
7112540	CIF	C504 H390 Co24 O126 S24	I 4/m	37.232; 37.232; 60.29 90; 90; 90	83575	Du, Shangchao; Hu, Chunhua; Xiao, Ji-Chang; Tan, Huaqiao; Liao, Wuping A giant coordination cage based on sulfonylcalix[4]arenes. Chemical communications (Cambridge, England), 2012, 48, 9177-9179
7241352	CIF	C164 H176 Co8 N3 O20 S16	R -3 c :H	49.4477; 49.4477; 39.5019 90; 90; 120	83645	Li, Kaiyue; Liao, Wuping Two Sulfur and Nitrogen-rich Cobalt-thiacalix[4]arene Compounds for Selective Mercury Removal from Aqueous Solution CrystEngComm, 2020
1543881	CIF	C240 H312 Ag4 Au32 S24	C 1 2/c 1	58.539; 34.472; 41.488 90; 91.2322; 90	83702	Fan, Jiqiang; Song, Yongbo; Chai, Jinsong; Yang, Sha; Chen, Tao; Rao, Bo; Yu, Haizhu; Zhu, Manzhou The solely motif-doped Au36-xAgx(SPh-tBu)24 (x = 1-8) nanoclusters: X-ray crystal structure and optical properties. Nanoscale, 2016, 8, 15317-15322
4108163	CIF	H411 Mo148 N27 O595	C 1 2/c 1	59.1887; 47.1521; 31.864 90; 70.305; 90	83726	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
1542717	CIF	C699.6 H691.6 Br14 Cl64.8 N96 O101	P 1 21/c 1	59.25; 37.63; 38.83 90; 104.6; 90	83779	Li, Xuesong; Qi, Ting; Srinivas, Kolupula; Massip, Stéphane; Maurizot, Victor; Huc, Ivan Synthesis and Multibromination of Nanosized Helical Aromatic Amide Foldamers via Segment-Doubling Condensation. Organic letters, 2016, 18, 1044
1541512	CIF	H610 Mo141.118 Na6.93 O730	C m c e	48.5117; 38.0033; 45.4473 90; 90; 90	83786.9	Mueller, A.; Schmidtmann, M.; Beugholt, C.; Koop, M.; Das, S.K.; Boegge, H. Facile and optimized synthesis and structures of crystalline molybdenum blue compounds including one with an interesting high degree of defects: Na26 (Mo142 O432 (H2 O)58 * ca. 300 (H2 O) and Na16 ((Mo3)176 (H2 O)63 (C H3 O H)17 H16) * ca. 6000 )H2 O) * 6(C H3 O H) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1999, 625, 1960-1962
1569651	CIF	C352 H416 Bi24 O59	I 41/a c d :2	35.3979; 35.3979; 67.034 90; 90; 90	83994	Hou, Baoshan; Zheng, Haiyan; Zhang, Kunhao; Wu, Qi; Qin, Chao; Sun, Chunyi; Pan, Qinhe; Kang, Zhenhui; Wang, Xinlong; Su, Zhongmin Electron delocalization of robust high-nuclear bismuth-oxo clusters for promoted CO<sub>2</sub> electroreduction. Chemical science, 2023, 14, 8962-8969
4109223	CIF	C198.33 H194.5 Cl5.33 N17.83 O24 U4	R 3 c :H	54.1597; 54.16; 33.1332 90; 90; 120	84168.4	Massimo Cametti; Maija Nissinen; Antonella Dalla Cort; Luigi Mandolini; Kari Rissanen Ion Pair Recognition of Quaternary Ammonium and Iminium Salts by Uranyl-Salophen Compounds in Solution and in the Solid State Journal of the American Chemical Society, 2007, 129, 3641-3648
1513721	CIF	C549 H930 Cr42 F48 N6 Ni6 O207 Zn4	P 1 21/n 1	39.9717; 48.6332; 43.5363 90; 91.283; 90	84611	Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P. The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings Chemical Science, 2014, 5, 235
4127129	CIF	C480 H528 Cl12 Cr12 N24 O105 Zr24	R 3 2	34.2265; 34.2265; 83.822 90; 90; 120	85038	Jiao, Jingjing; Tan, Chunxia; Li, Zijian; Liu, Yan; Han, Xing; Cui, Yong Design and Assembly of Chiral Coordination Cages for Asymmetric Sequential Reactions. Journal of the American Chemical Society, 2018
7110508	CIF	H736 Mo154 Na21 O830 P7	C m c a	50.075; 56.049; 30.302 90; 90; 90	85047	Müller, Achim; Das, Samar K.; Bögge, Hartmut; Beugholt, Christian; Schmidtmann, Marc Assembling nanosized ring-shaped synthons to an anionic layer structure based on the synergetically induced functional complementarity of their surface-sites: Na21[MoVI126MoV28O462H14(H2O)54(H2PO2)7]·xH2O (x ≈ 300) Chemical Communications, 1999, 1035
4339374	CIF	C318 H306 Cl18 Cu9 N72 O123 S14	P -3	67.645; 67.645; 21.559 90; 90; 120	85434	Park, Jaejoon; Hong, Seunghee; Moon, Dohyun; Park, Mira; Lee, Kyungjin; Kang, Sangmi; Zou, Yang; John, Rohith P.; Kim, Ghyung Hwa; Lah, Myoung Soo Porous metal-organic frameworks based on metal-organic polyhedra with nanosized cavities as supramolecular building blocks: two-fold interpenetrating primitive cubic networks of [Cu6L8]12+ nanocages. Inorganic chemistry, 2007, 46, 10208-10213
4126361	CIF	C430 H412 B8 F48 Fe4 N40 O72 P16 Pt8 S16	P 42 n m	47.92; 47.92; 37.29 90; 90; 90	85630	Cecot, Giacomo; Marmier, Mathieu; Geremia, Silvano; De Zorzi, Rita; Vologzhanina, Anna V.; Pattison, Philip; Solari, Euro; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay The Intricate Structural Chemistry of M(II)2nLn-Type Assemblies. Journal of the American Chemical Society, 2017, 139, 8371-8381
7124762	CIF	C798 H638 Ca17 N72 O322	P 1 21/c 1	44.593; 51.642; 38.959 90; 107.1; 90	85751	Mandal, Pradeep K.; Kauffmann, Brice; Destecroix, Harry; Ferrand, Yann; Davis, Anthony P.; Huc, Ivan Crystal structure of a complex between β-glucopyranose and a macrocyclic receptor with dendritic multicharged water solubilizing chains. Chemical communications (Cambridge, England), 2016, 52, 9355-9358
7021798	CIF	C252 H258 Au12 Mo24 O86 P14	I a -3 d	44.1632; 44.1632; 44.1632 90; 90; 90	86135	Yoshida, Takuya; Matsunaga, Satoshi; Nomiya, Kenji Two types of tetranuclear phosphanegold(i) cations as dimers of dinuclear units, [{(Au{P(p-RPh)3})2(μ-OH)}2](2+) (R = Me, F), synthesized by polyoxometalate-mediated clusterization. Dalton transactions (Cambridge, England : 2003), 2013, 42, 11418-11425
7235235	CIF	C53.33 H27.08 O9.33 Zn2	F d -3 c :2	44.21; 44.21; 44.21 90; 90; 90	86410	Moreau, Florian; Audebrand, Nathalie; Poriel, Cyril 9,9′-Spirobifluorene based zinc coordination polymers: a study on linker geometry and topology CrystEngComm, 2020, 22, 293-303
4003148	CIF	C30 H12 Cu6 N9 O23.5	F m -3 m	44.271; 44.271; 44.271 90; 90; 90	86768	Gao, Wen-Yang; Cai, Rong; Pham, Tony; Forrest, Katherine A.; Hogan, Adam; Nugent, Patrick; Williams, Kia; Wojtas, Lukasz; Luebke, Ryan; Weseliński, Łukasz J.; Zaworotko, Michael J.; Space, Brian; Chen, Yu-Sheng; Eddaoudi, Mohamed; Shi, Xiaodong; Ma, Shengqian Remote Stabilization of Copper Paddlewheel Based Molecular Building Blocks in Metal‒Organic Frameworks Chemistry of Materials, 2015, 27, 2144
1562010	CIF	C182.67 H102 O60 P3 Zr9	P 32 2 1	45.122; 45.122; 49.238 90; 90; 120	86818	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
4128684	CIF	C182.67 H102 O60 P3 Zr9	P 32 2 1	45.122; 45.122; 49.238 90; 90; 120	86818	Gong, Wei; Chen, Xu; Jiang, Hong; Chu, Dandan; Cui, Yong; Liu, Yan Highly Stable Zr(IV)-Based Metal-Organic Frameworks with Chiral Phosphoric Acids for Catalytic Asymmetric Tandem Reactions. Journal of the American Chemical Society, 2019, 141, 7498-7508
7124979	CIF	C127 H139 Cd2 Cr4 N8 Na5 O42	F 2 2 2	40.623; 41.321; 51.868 90; 90; 90	87065	Xia, Qingchun; Liu, Yan; Li, Zijian; Gong, Wei; Cui, Yong A Cr(salen)-based metal-organic framework as a versatile catalyst for efficient asymmetric transformations. Chemical communications (Cambridge, England), 2016, 52, 13167-13170
4103347	CIF	C99 H51 O32.5 S3 Zn10	F -4 3 m	44.3453; 44.3453; 44.3453 90; 90; 90	87205	Kyoungmoo Koh; Antek G. Wong-Foy; Adam J. Matzger Coordination Copolymerization Mediated by Zn4O(CO2R)6 Metal Clusters: a Balancing Act between Statistics and Geometry Journal of the American Chemical Society, 2010, 132, 15005-15010
4107426	CIF	C4.5 H1.5 Cu N2.16667 O6.571667	F m -3 m	44.358; 44.358; 44.358 90; 90; 90	87280	Farid Nouar; Jarrod F. Eubank; Till Bousquet; Lukasz Wojtas; Michael J. Zaworotko; Mohamed Eddaoudi Supermolecular Building Blocks (SBBs) for the Design and Synthesis of Highly Porous Metal-Organic Frameworks Journal of the American Chemical Society, 2008, 130, 1833-1835
4115371	CIF	C124 H120 Ag4 N24 O18 S4	R -3 :H	40.805; 40.805; 60.53 90; 90; 120	87283	Shuichi Hiraoka; Tao Yi; Motoo Shiro; Mitsuhiko Shionoya Triangular and Tetrahedral Array of Silver(I) Ions by a Novel Disk-Shaped Tridentate Ligand: Dynamic Control of Coordination Equilibrium of the Silver(I) Complexes Journal of the American Chemical Society, 2002, 124, 14510-14511
7061447	CIF	C108 H36 Cu24 Mo10 N48 O116 Si V2	F m -3 m	44.361; 44.361; 44.361 90; 90; 90	87298	Liu, Jiabin; Xin, Yuxiang; Bai, Yiyang; She, Wei; Wang, Jing; Li, Gaungming A self-assembly solvothermal synthesis of SiMoVn@[Cu6O(TZI)3(H2O)6]4·nH2O for the efficient selective oxidation of various alkylbenzenes New Journal of Chemistry, 2022, 46, 9229-9237
7021797	CIF	C252 H258 Au12 O86 P14 W24	I a -3 d	44.4487; 44.4487; 44.4487 90; 90; 90	87817	Yoshida, Takuya; Matsunaga, Satoshi; Nomiya, Kenji Two types of tetranuclear phosphanegold(i) cations as dimers of dinuclear units, [{(Au{P(p-RPh)3})2(μ-OH)}2](2+) (R = Me, F), synthesized by polyoxometalate-mediated clusterization. Dalton transactions (Cambridge, England : 2003), 2013, 42, 11418-11425
1551394	CIF	C618 H355.5 B5.5 Co12 F133 N117 O74 S37	P 1 21/n 1	40.2042; 54.2465; 40.2935 90; 90.408; 90	87875	Felix J. Rizzuto; Jonathan R. Nitschke Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron Nature Chemistry, 2017, 10, 903-908
7714769	CIF	C142 H300 Dy12 Fe8 N40 O102	I 41/a c d :2	37.7905; 37.7905; 61.582 90; 90; 90	87947	Peng, Yan; Braun, Jonas; Schulze, Michael; Kaemmerer, Hagen; Schneider, Yannik F.; Anson, Christopher E.; Wernsdorfer, Wolfgang; Powell, Annie K. A nested spin structure and single molecule magnet behaviour in an Fe<sub>8</sub>Dy<sub>12</sub> heterometallic cyclic coordination cluster. Dalton transactions (Cambridge, England : 2003), 2024, 53, 894-897
7236904	CIF	C120 H181.5 Cl12 N48 O78.75 P8 S8 Zn6	I -4 3 d	44.497; 44.497; 44.497 90; 90; 90	88103	Yadav, Ashok; Srivastava, Anant Kumar; Kulkarni, Priyangi; Divya, Pillutla; Steiner, Alexander; Praveenkumar, B.; Boomishankar, Ramamoorthy Anion-induced ferroelectric polarization in a luminescent metal‒organic cage compound J. Mater. Chem. C, 2017, 5, 10624
1566370	CIF	C432 H471 Ag38 Au43 Cl12	R -3 :H	26.1589; 26.1589; 148.875 90; 90; 120	88225	Xu, Jiayu; Xiong, Lin; Cai, Xiao; Tang, Shisi; Tang, Ancheng; Liu, Xu; Pei, Yong; Zhu, Yan Evolution from superatomic Au24Ag20 monomers into molecular-like Au43Ag38 dimeric nanoclusters Chemical Science, 2022
4003149	CIF	C33 H15 Cu6 N6 O19	F m -3 m	44.588; 44.588; 44.588 90; 90; 90	88645	Gao, Wen-Yang; Cai, Rong; Pham, Tony; Forrest, Katherine A.; Hogan, Adam; Nugent, Patrick; Williams, Kia; Wojtas, Lukasz; Luebke, Ryan; Weseliński, Łukasz J.; Zaworotko, Michael J.; Space, Brian; Chen, Yu-Sheng; Eddaoudi, Mohamed; Shi, Xiaodong; Ma, Shengqian Remote Stabilization of Copper Paddlewheel Based Molecular Building Blocks in Metal‒Organic Frameworks Chemistry of Materials, 2015, 27, 2144
7117236	CIF	C33 H15 Cu6 N6 O19	F m -3 m	44.588; 44.588; 44.588 90; 90; 90	88645	Wen-Yang Gao; Tony Pham; Katherine A. Forrest; Brian Space; Lukasz Wojtas; Yu-Sheng Chen; Shengqian Ma The local electric field favours more than exposed nitrogen atoms on CO2 capture: a case study on the rht-type MOF platform Chem.Commun., 2015, 51, 9636
4132543	CIF	C178 H138 N8 O38 Tb6	I 41	39.74; 39.74; 56.261 90; 90; 90	88851	Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms. Journal of the American Chemical Society, 2018, 140, 8858-8867
1570027	CIF	C41 H18 Fe3 N1.33 O15 S6	I -4 3 m	44.6247; 44.6247; 44.6247 90; 90; 90	88864	Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents Nature Synthesis, 2023, 1
1552055	CIF	C72 H35 Cu3 N O15	P 63/m m c	37.1384; 37.1384; 74.478 90; 90; 120	88962	Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks Nature Chemistry, 2014, 6, 673-680
4133552	CIF	C84 H36 O32 Zr6	F d -3 m :2	44.655; 44.655; 44.655 90; 90; 90	89045	Qin, Jun-Sheng; Yuan, Shuai; Zhang, Lei; Li, Bao; Du, Dong-Ying; Huang, Ning; Guan, Wei; Drake, Hannah F.; Pang, Jiandong; Lan, Ya-Qian; Alsalme, Ali; Zhou, Hong-Cai Creating Well-Defined Hexabenzocoronene in Zirconium Metal-Organic Framework by Postsynthetic Annulation. Journal of the American Chemical Society, 2019, 141, 2054-2060
4135541	CIF	C408 H432 B F4 N96 O0 Pd12	R -3 c :H	39.5433; 39.5433; 65.854 90; 90; 120	89178	Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages. Journal of the American Chemical Society, 2021
4326614	CIF	Au25 Cl2 P10 S5	C 2 2 21	36.7911; 60.4299; 40.1216 90; 90; 90	89202	Huifeng Qian; William T. Eckenhoff; Mark E. Bier; Tomislav Pintauer; Rongchao Jin Crystal Structures of Au2 Complex and Au25 Nanocluster and Mechanistic Insight into the Conversion of Polydisperse Nanoparticles into Monodisperse Au25 Nanoclusters Inorganic Chemistry, 2011, 50, 10735-10739
4349958	CIF	C297 H162 Cu24 O132	P 6/m m m	63.7383; 63.7383; 25.3645 90; 90; 120	89240	Wang, Yao; He, Minghui; Gao, Xiaoxia; Wang, Xia; Xu, Guohai; Zhang, Zhengyi; He, Yabing A ligand conformation preorganization approach to construct a copper‒hexacarboxylate framework with a novel topology for selective gas adsorption Inorganic Chemistry Frontiers, 2019, 6, 263
1570025	CIF	C43.5 H38 Co3 N3 O15 S6	I 4 3 2	44.7093; 44.7093; 44.7093 90; 90; 90	89370.4	Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents Nature Synthesis, 2023, 1
1570029	CIF	C54.5 H44 Co3 N4.33 O14 S6	I -4 3 m	44.7671; 44.7671; 44.7671 90; 90; 90	89717	Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents Nature Synthesis, 2023, 1
4341605	CIF	C98 H46 In6 N10 O48	R -3 :H	48.4679; 48.4679; 44.1057 90; 90; 120	89729.2	Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Li, Qipeng; Yuan, Daqiang; Hong, Maochun Self-Assembly of Polyhedral Indium-Organic Nanocages. Inorganic chemistry, 2014, 141113093006000
4135538	CIF	C428 H462 B F4 N96 O2 Pd12	R -3 c :H	39.4711; 39.4711; 66.5589 90; 90; 120	89803.9	Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages. Journal of the American Chemical Society, 2021
1536612	CIF	C12.05 As4 N35.95 Na O179 U3 W41	F d d 2	54.848; 80.809; 20.2874 90; 90; 90	89918.1	Kim Kee-Chan; Gaunt, A.; Pope, M.T. New heteropolytungstates incorporating dioxouranium(VI). Derivatives of alpha-(Si W9 O34)(10-), alpha-(As W9 O33)(9-), gamma-(Si W10 O36)(8-) and (As4 W40 O140)(28-) Journal of Cluster Science, 2002, 13, 423-436
4130966	CIF	C94 H68 O32 Zr6	F d -3 m :2	44.856; 44.856; 44.856 90; 90; 90	90253	Alezi, Dalal; Spanopoulos, Ioannis; Tsangarakis, Constantinos; Shkurenko, Aleksander; Adil, Karim; Belmabkhout, Youssef; O Keeffe, Michael; Eddaoudi, Mohamed; Trikalitis, Pantelis N. Reticular Chemistry at Its Best: Directed Assembly of Hexagonal Building Units into the Awaited Metal-Organic Framework with the Intricate Polybenzene Topology, pbz-MOF. Journal of the American Chemical Society, 2016, 138, 12767-12770
1545742	CIF	C96 H172 Cl K4 O86	R 3 2 :H	42.8927; 42.8927; 56.6605 90; 90; 120	90277	Hartlieb, Karel J.; Ferris, Daniel P.; Holcroft, James M.; Kandela, Irawati; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser Encapsulation of Ibuprofen in CD-MOF and Related Bioavailability Studies. Molecular pharmaceutics, 2017, 14, 1831-1839
1570026	CIF	C49 H42 Co3 N3.33 O15 S6	I -4 3 m	44.876; 44.876; 44.876 90; 90; 90	90374	Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents Nature Synthesis, 2023, 1
7049137	CIF	C276 H204 Cl11 Eu4 N36 O68	F d d d	15.1924; 62.679; 95.062 90; 90; 90	90522	Yan, Qianqian; Zhou, Lipeng; Zhou, Haiyue; Wang, Zhuo; Cai, Li-Xuan; Guo, Xiao-Qing; Sun, Xiaoqi; Sun, Qing-Fu Metallopolymers Cross-Linked with Self-Assembled Ln4L4 Cages Dalton Transactions, 2019
4133536	CIF	C556 H544 N98 O304 S12 V60 W12	P 42/m m c	41.174; 41.174; 53.404 90; 90; 90	90536	Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J. Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry. Journal of the American Chemical Society, 2018, 140, 17365-17368
1529443	CIF	Al325 Na285 O3726 Si1115	I m -3 m	44.9242; 44.9242; 44.9242 90; 90; 90	90665	Guo, Peng; Shin, Jiho; Greenaway, Alex G.; Min, Jung Gi; Su, Jie; Choi, Hyun June; Liu, Leifeng; Cox, Paul A.; Hong, Suk Bong; Wright, Paul A.; Zou, Xiaodong A zeolite family with expanding structural complexity and embedded isoreticular structures Nature, 2015, 524, 74-78
7026959	CIF	C418 H408 Ce8 N64 O77	P -4 3 n	44.9318; 44.9318; 44.9318 90; 90; 90	90711.3	Liu, Yang; Lin, Zhihua; He, Cheng; Zhao, Liang; Duan, Chunying A symmetry-controlled and face-driven approach for the assembly of cerium-based molecular polyhedra. Dalton transactions (Cambridge, England : 2003), 2010, 39, 11122-11125
7711468	CIF	C212 H305 N29 O14 P8 Pt4	C 1 2/c 1	60.979; 64.13; 23.452 90; 95.388; 90	91306	Cheng, Ying; Zhang, Zeyuan; Duan, Xianglong; Zhang, Mingming cis-Dipyridyl Porphyrin-Based Multicomponent Organoplatinum(II) Bismetallacycles for Photocatalytic Oxidation Dalton Transactions, 2022
7029955	CIF	C164 H271 Mn7 N18 O42	F d -3 :2	45.0354; 45.0354; 45.0354 90; 90; 90	91340	Hoeke, Veronika; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schnack, Jürgen; Glaser, Thorsten Structural influences on the exchange coupling and zero-field splitting in the single-molecule magnet [Mn(III)6Mn(III)]3+. Dalton transactions (Cambridge, England : 2003), 2012, 41, 12942-12959
4127249	CIF	C317.33 H285.48 B34.92 Cs0.36 F2.7 Fe4 N37.58 O8.8 S0.9	P 1 21/n 1	31.1172; 59.4899; 49.3791 90; 92.154; 90	91344	Zhang, Dawei; Ronson, Tanya K.; Greenfield, Jake L.; Brotin, Thierry; Berthault, Patrick; Léonce, Estelle; Zhu, Jun-Long; Xu, Lin; Nitschke, Jonathan R. Enantiopure [Cs<sup>+</sup>/Xe⊂Cryptophane]⊂Fe<sup>II</sup><sub>4</sub>L<sub>4</sub> Hierarchical Superstructures. Journal of the American Chemical Society, 2019, 141, 8339-8345
7045448	CIF	C108 H36 N24 O50 Zn9	F 41 3 2	45.0598; 45.0598; 45.0598 90; 90; 90	91488.8	Chen, Chun-Hui; Wang, Xu-Sheng; Li, Lan; Huang, Yuan-Biao; Cao, Rong Highly selective sensing of Fe<sup>3+</sup> by an anionic metal-organic framework containing uncoordinated nitrogen and carboxylate oxygen sites. Dalton transactions (Cambridge, England : 2003), 2018, 47, 3452-3458
1552092	CIF	O2880 Si1440	I m -3 m	45.07; 45.07; 45.07 90; 90; 90	91550.9	Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ, 2019, 6
1529442	CIF	C305 Al334 N38 Na296 O3692 Si1106	I m -3 m	45.0711; 45.0711; 45.0711 90; 90; 90	91557.6	Guo, Peng; Shin, Jiho; Greenaway, Alex G.; Min, Jung Gi; Su, Jie; Choi, Hyun June; Liu, Leifeng; Cox, Paul A.; Hong, Suk Bong; Wright, Paul A.; Zou, Xiaodong A zeolite family with expanding structural complexity and embedded isoreticular structures Nature, 2015, 524, 74-78
4317609	CIF	C112 H145.5 Co4 K4 Mg2 N8 O88.5	R -3 c :H	31.683; 31.683; 105.352 90; 90; 120	91585	Roger G. Harrison; O. Danny Fox; Mark O. Meng; N. Kent Dalley; Leonard J. Barbour Cation Control of Pore and Channel Size in Cage-Based Metal-Organic Porous Materials Inorganic Chemistry, 2002, 41, 838-843
7046335	CIF	C108 H48 N24 O50 Zn9	F 41 3 2	45.1207; 45.1207; 45.1207 90; 90; 90	91860	Cui, Zheng; Zhou, Lei; Qin, Bowen; Zhou, Baolei; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping Selective chiral symmetry breaking and luminescence sensing of a Zn(ii) metal-organic framework. Dalton transactions (Cambridge, England : 2003), 2018, 47, 7934-7940
7001383	CIF	C72 H164 Cu16 N4 O2 S10	R -3 c :H	61.939; 61.939; 27.657 90; 90; 120	91889	Yang, Lei; Wang, Zhaodong; Powell, Douglas R.; Houser, Robert P. A [Cu16S10]4− cluster containing μ3- and μ4-sulfido ligands Dalton Transactions, 2009, 4439-4441
1570028	CIF	C60 H49.33 Co3 N6 O14.67 S6	I -4 3 m	45.13; 45.13; 45.13 90; 90; 90	91917	Barsukova, Marina; Sapianik, Aleksandr; Guillerm, Vincent; Shkurenko, Aleksander; Shaikh, Aslam C.; Parvatkar, Prakash; Bhatt, Prashant M.; Bonneau, Mickaele; Alhaji, Abdulhadi; Shekhah, Osama; Balestra, Salvador R. G.; Semino, Rocio; Maurin, Guillaume; Eddaoudi, Mohamed Face-directed assembly of tailored isoreticular MOFs using centring structure-directing agents Nature Synthesis, 2023, 1
7046334	CIF	C108 H48 N24 O50 Zn9	F 41 3 2	45.1476; 45.1476; 45.1476 90; 90; 90	92025	Cui, Zheng; Zhou, Lei; Qin, Bowen; Zhou, Baolei; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping Selective chiral symmetry breaking and luminescence sensing of a Zn(ii) metal-organic framework. Dalton transactions (Cambridge, England : 2003), 2018, 47, 7934-7940
7129210	CIF	C107.75 H145.85 Mn23 N13.25 O68.05	R -3 :H	42.7113; 42.7113; 58.4319 90; 90; 120	92314	Skordi, Katerina; Anastassiades, Antonis; Fournet, Adeline D.; Kumar, Rahul; Schulze, Michael; Wernsdorfer, Wolfgang; Christou, George; Nastopoulos, Vassilios; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J. High nuclearity structurally – related Mn supertetrahedral T4 aggregates Chemical Communications, 2021
4328773	CIF	C120 H258 Cl12 N48 Ni6 O125 P8	I -4 3 d	45.214; 45.214; 45.214 90; 90; 90	92431	Xing-Jun Li; Fei-Long Jiang; Ming-Yan Wu; Shu-Quan Zhang; You-Fu Zhou; Mao-Chun Hong Self-Assembly of Discrete M6L8 Coordination Cages Based on a Conformationally Flexible Tripodal Phosphoric Triamide Ligand Inorganic Chemistry, 2012, 51, 4116-4122
7118365	CIF	C186 H102 N8 O71 S3 Zn20	R -3 :H	25.299; 25.299; 166.828 90; 90; 120	92471	Xie, Wei; He, Wen-Wen; Du, Dong-Ying; Li, Shun-Li; Qin, Jun-Sheng; Su, Zhong-Min; Sun, Chun-Yi; Lan, Ya-Qian A stable Alq3@MOF composite for white-light emission. Chemical communications (Cambridge, England), 2016, 52, 3288-3291
4328775	CIF	C120 H120 N48 O20 P8 Zn6	I -4 3 d	45.239; 45.239; 45.239 90; 90; 90	92585	Xing-Jun Li; Fei-Long Jiang; Ming-Yan Wu; Shu-Quan Zhang; You-Fu Zhou; Mao-Chun Hong Self-Assembly of Discrete M6L8 Coordination Cages Based on a Conformationally Flexible Tripodal Phosphoric Triamide Ligand Inorganic Chemistry, 2012, 51, 4116-4122
4131665	CIF	C132 H78 N24 O39 Zn12	P 63/m	44.192; 44.192; 54.961 90; 90; 120	92955	Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks. Journal of the American Chemical Society, 2017, 139, 13300-13303
7107141	CIF	C68 H40 Cd4 N20 Na O22	F m -3 c	45.3; 45.3; 45.3 90; 90; 90	92960	Qian-Rong Fang; Da-Qian Yuan; Julian Sculley; Wei-Gang Lu; Hong-Cai Zhou A novel MOF with mesoporous cages for kinetic trapping of hydrogen Chem.Commun., 2012, 48, 254
4122062	CIF	C393 H335.5 Cd10 Cl19 F2 N61.5 O76	C 1 2/c 1	80.943; 26.679; 45.354 90; 108.199; 90	93042	Riddell, Imogen A.; Ronson, Tanya K.; Clegg, Jack K.; Wood, Christopher S.; Bilbeisi, Rana A.; Nitschke, Jonathan R. Cation- and Anion-Exchanges Induce Multiple Distinct Rearrangements within Metallosupramolecular Architectures. Journal of the American Chemical Society, 2014, 136, 9491-9498
4328774	CIF	C120 H120 Cl12 Co6 N48 O68 P8	I -4 3 d	45.317; 45.317; 45.317 90; 90; 90	93064	Xing-Jun Li; Fei-Long Jiang; Ming-Yan Wu; Shu-Quan Zhang; You-Fu Zhou; Mao-Chun Hong Self-Assembly of Discrete M6L8 Coordination Cages Based on a Conformationally Flexible Tripodal Phosphoric Triamide Ligand Inorganic Chemistry, 2012, 51, 4116-4122
2104374	CIF HKL Paper	Al3339.8 Cu231.95 Ta2336	F -4 3 m	45.376; 45.376; 45.376 90; 90; 90	93428	Weber, Thomas; Dshemuchadse, Julia; Kobas, Miroslav; Conrad, Matthias; Harbrecht, Bernd; Steurer, Walter Large, larger, largest ‒ a family of cluster-based tantalum copper aluminides with giant unit cells. I. Structure solution and refinement Acta Crystallographica Section B, 2009, 65, 308-317
4122707	CIF	Ce7 H434 K Mo100 O518	I b c a	31.3443; 32.3864; 92.098 90; 90; 90	93491	Xuan, Weimin; Surman, Andrew J.; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy Controlling the Ring Curvature, Solution Assembly, and Reactivity of Gigantic Molybdenum Blue Wheels. Journal of the American Chemical Society, 2014, 136, 14114
2105953	CIF	Al67.4 Ni14.7 Rh17.8	P 1	150; 150; 4.181 90; 90; 90	94072.5	Logvinovich, Dmitry; Simonov, Arkadiy; Steurer, Walter Structure of decagonal Al‒Ni‒Rh Acta Crystallographica Section B, 2014, 70, 732-742
4333809	CIF	C238 H434 F42 Fe36 N44 O302 P44 S14	R -3 c :H	28.6989; 28.6989; 132.1838 90; 90; 120	94284.3	Christine M. Beavers; Andrey V. Prosverin; John D. Cashion; Kim R. Dunbar; Anne F. Richards An Unprecedented Fe36 Phosphonate Cage Inorganic Chemistry, 2013, 52, 1670-1672
4133537	CIF	C540 H240 N60 O324 S10 V60 W12	P 42/m m c	41.893; 41.893; 53.783 90; 90; 90	94390	Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J. Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry. Journal of the American Chemical Society, 2018, 140, 17365-17368
1552167	CIF	C19.46 H9.44 La0.57 O5.49 S2.29	I b a m	28.14; 40.411; 83.201 90; 90; 90	94613	Xie, Lilia S.; Alexandrov, Eugeny V.; Skorupskii, Grigorii; Proserpio, Davide M.; Dincă, Mircea Diverse π‒π stacking motifs modulate electrical conductivity in tetrathiafulvalene-based metal‒organic frameworks Chemical Science, 2019
1564713	CIF	C384 H386 N48 O72	P n n n :2	44.0956; 44.5782; 48.2469 90; 90; 90	94839	Yang, Miao; Qiu, Fenglei; M. El-Sayed, El-Sayed; Wang, Wenjing; du, shunfu; Su, Kongzhao; Yuan, Daqiang Water-Stable Hydrazone-Linked Porous Organic Cages Chemical Science, 2021
4512167	CIF	C20 H36 Ag N8 O4 Re	F d -3 m :2	45.611; 45.611; 45.611 90; 90; 90	94887	Thorp-Greenwood, Flora L.; Kulak, Alexander N.; Hardie, Michaele J. Three-Dimensional Silver-dabco Coordination Polymers with Zeolitic or Three-Connected Topology Crystal Growth & Design, 2014, 14, 5361
4331525	CIF	C192 H96 Mo24 O96	I -4 2 m	46.622; 46.622; 43.695 90; 90; 90	94976	Ke, Yanxiong; Collins, David J.; Zhou, Hong-Cai Synthesis and Structure of Cuboctahedral and Anticuboctahedral Cages Containing 12 Quadruply Bonded Dimolybdenum Units Inorganic Chemistry, 2005, 44, 4154-4156
7715113	CIF	C228.88 H217.75 Cl25.75 Eu4 F36 N60 O48 S12	C 1 2/c 1	109.88; 21.34; 42.92 90; 108.98; 90	95169	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
4132546	CIF	C134.73 H109.04 N5.58 O35.58 S6 Tb6	F d -3 :2	45.6614; 45.6614; 45.6614 90; 90; 90	95202.4	Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms. Journal of the American Chemical Society, 2018, 140, 8858-8867
1569358	CIF	C234 H228 Ag24 F36 N12 O24 S12	R -3 c :H	58.313; 58.313; 32.365 90; 90; 120	95310	Sakai, Jin; Biswas, Sourav; Irie, Tsukasa; Mabuchi, Haruna; Sekine, Taishu; Niihori, Yoshiki; Das, Saikat; Negishi, Yuichi Synthesis and luminescence properties of two silver cluster-assembled materials for selective Fe<sup>3+</sup> sensing. Nanoscale, 2023, 15, 12227-12234
4328776	CIF	C120 H120 Cd6 N48 O20 P8	I -4 3 d	45.702; 45.702; 45.702 90; 90; 90	95457	Xing-Jun Li; Fei-Long Jiang; Ming-Yan Wu; Shu-Quan Zhang; You-Fu Zhou; Mao-Chun Hong Self-Assembly of Discrete M6L8 Coordination Cages Based on a Conformationally Flexible Tripodal Phosphoric Triamide Ligand Inorganic Chemistry, 2012, 51, 4116-4122
7243061	CIF	C262.38 H275.18 N18 O85.27 Rb3.98	I 41	57.3567; 57.3567; 29.225 90; 90; 90	96144	Mizuno, Asato; Shuku, Yoshiaki; Suizu, Rie; Tsuchiizu, Masahisa; Awaga, Kunio 3D supramolecular chiral crystal structures of radical anion salts of (−)-NDI-Δ and possible magnetic phase diagrams CrystEngComm, 2021, 23, 5053-5059
1549930	CIF	C642 H612 Cl12 Co48 N72 O126 S48	R -3 :H	37.232; 37.232; 80.093 90; 90; 120	96152	Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene. Chemical science, 2018, 9, 8535-8541
4512169	CIF	C22 H41 Ag B F4 N9 O	F d -3 m :2	45.826; 45.826; 45.826 90; 90; 90	96236	Thorp-Greenwood, Flora L.; Kulak, Alexander N.; Hardie, Michaele J. Three-Dimensional Silver-dabco Coordination Polymers with Zeolitic or Three-Connected Topology Crystal Growth & Design, 2014, 14, 5361
4114129	CIF	C682.5 H1110.5 Ba4 Cl1.5 N190 O212 Si32	P 21 21 2	53.2556; 66.114; 27.398 90; 90; 90	96467	Xiaodong Shi; Katherine M. Mullaugh; James C. Fettinger; Yun Jiang; Steven A. Hofstadler; Jeffery T. Davis Lipophilic G-Quadruplexes Are Self-Assembled Ion Pair Receptors, and the Bound Anion Modulates the Kinetic Stability of These Complexes Journal of the American Chemical Society, 2003, 125, 10830-10841
1531037	CIF	C180 H48 O32 Zr6	F m -3 m	45.887; 45.887; 45.887 90; 90; 90	96620	Sawano, Takahiro; Ji, Pengfei; McIsaac, Alexandra R.; Lin, Zekai; Abney, Carter W.; Lin, Wenbin The first chiral diene-based metal‒organic frameworks for highly enantioselective carbon‒carbon bond formation reactions Chem. Sci., 2015, 6, 7163
7113136	CIF	Al19 H932 Mo132 N15 O928 S30	C 1 2/c 1	45.511; 46.365; 45.951 90; 90.014; 90	96962	Merca, Alice; Bögge, Hartmut; Schmidtmann, Marc; Zhou, Yunshan; Haupt, Erhard T. K.; Sarker, M. Khaled; Hill, Craig L.; Müller, Achim Cation behavior at an artificial cell interface: binding distinguished by ion hydration energetics and size. Chemical communications (Cambridge, England), 2008, 948-950
4103182	CIF	C111 H224 O84 Ti28	R -3 c :H	29.7286; 29.7286; 126.826 90; 90; 120	97071	Jason B. Benedict; Renata Freindorf; Elzbieta Trzop; Jeffrey Cogswell; Philip Coppens Large Polyoxotitanate Clusters: Well-Defined Models for Pure-Phase TiO2Structures and Surfaces Journal of the American Chemical Society, 2010, 132, 13669-13671
1569357	CIF	C234 H204 Ag24 F36 N12 O24 S12	R -3 c :H	59.1396; 59.1396; 32.143 90; 90; 120	97358	Sakai, Jin; Biswas, Sourav; Irie, Tsukasa; Mabuchi, Haruna; Sekine, Taishu; Niihori, Yoshiki; Das, Saikat; Negishi, Yuichi Synthesis and luminescence properties of two silver cluster-assembled materials for selective Fe<sup>3+</sup> sensing. Nanoscale, 2023, 15, 12227-12234
4132544	CIF	C136 H120 N8 O38 S6 Tb6	F d -3 m :2	46.0411; 46.0411; 46.0411 90; 90; 90	97597.1	Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms. Journal of the American Chemical Society, 2018, 140, 8858-8867
7100385	CIF	C108 H190 Cl13 Co3 Fe2 N24 Ni6 O99	R -3 c :H	56.06; 56.06; 35.87 90; 90; 120	97625	K. Dunbar; Curtis Berlinguette The step-wise assembly of an undecanuclear heterotrimetallic cyanide cluster Chemical Communications, 2005
4103411	CIF	C204 Cl6 Mn6 N12 O38 Zn8	R 3 2 :H	35.8652; 35.8652; 87.761 90; 90; 120	97764	Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes Journal of the American Chemical Society, 2010, 132, 15390-15398
4124563	CIF	C180 H100 O32 Zr6	F m -3 m	46.098; 46.098; 46.098 90; 90; 90	97959	Sawano, Takahiro; Thacker, Nathan C.; Lin, Zekai; McIsaac, Alexandra R.; Lin, Wenbin Robust, Chiral, and Porous BINAP-Based Metal-Organic Frameworks for Highly Enantioselective Cyclization Reactions. Journal of the American Chemical Society, 2015, 137, 12241-12248
4103412	CIF	C204 Cl6 Mn6 N12 O38 Zn8	R 3 :H	35.884; 35.884; 87.911 90; 90; 120	98034	Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes Journal of the American Chemical Society, 2010, 132, 15390-15398
4132091	CIF	C676.5 H419.5 K7 N157.25 O164 P8	I 1 2/a 1	43.47; 39.035; 58.398 90; 98.34; 90	98045	Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage. Journal of the American Chemical Society, 2018, 140, 5248-5256
4121581	CIF	C372 H244 O32 P12 Zr6	F 2 3	46.116; 46.116; 46.116 90; 90; 90	98074	Falkowski, Joseph M.; Sawano, Takahiro; Zhang, Teng; Tsun, Galen; Chen, Yuan; Lockard, Jenny V.; Lin, Wenbin Privileged phosphine-based metal-organic frameworks for broad-scope asymmetric catalysis. Journal of the American Chemical Society, 2014, 136, 5213-5216
4132090	CIF	C177.96 H221.9 N43.99 O40 P2	F d d d :2	24.088; 60.3283; 67.581 90; 90; 90	98208	Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage. Journal of the American Chemical Society, 2018, 140, 5248-5256
4004045	CIF	C41 H18 Cu2 N2 O11	F m -3 m	46.14; 46.14; 46.14 90; 90; 90	98227	Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks Chemistry of Materials, 2021, 33, 7964-7971
7106551	CIF	C540 H840 Cu24 N108 O180	F m -3 m	46.15; 46.15; 46.15 90; 90; 90	98291	Hai-Ning Wang; Xing Meng; Guang-Sheng Yang; Xin-Long Wang; Kui-Zhan Shao; Zhong-Min Su; Chun-Gang Wang Stepwise Assembly of Metal-Organic Framework Based on a Metal-Organic Polyhedron Precursor for Drug Delivery Chem.Commun., 2011, 47, 7128
7239552	CIF	C609 H1001 Cu24 N131 O251	F m -3 m	46.173; 46.173; 46.173 90; 90; 90	98438.3	Wang, Hai-Ning; Liu, Fu-Hong; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min Three neutral metal‒organic frameworks with micro- and meso-pores for adsorption and separation of dyes Journal of Materials Chemistry A, 2013, 1, 13060
7107883	CIF	C264 N24 O38 Ru6 Zn8	R 3 2 :H	35.14; 35.14; 92.24 90; 90; 120	98640	Joseph M. Falkowski; Sophie Liu; Cheng Wang; Wenbin Lin Chiral metal-organic frameworks with tunable open channels as single-site asymmetric cyclopropanation catalysts Chem.Commun., 2012, 48, 6508
1551824	CIF	C252 H220 N20 O68 Pd4 S6	P n -3 n :2	46.241; 46.241; 46.241 90; 90; 90	98874	Tanya K. Ronson; Julie Fisher; Lindsay P. Harding; Pierre J. Rizkallah; John E. Warren; Michaele J. Hardie Stellated polyhedral assembly of a topologically complicated Pd4L4 'Solomon cube' Nature Chemistry, 2009, 1, 212-216
4003606	CIF	C132 H108 Cl6 O40 Zr12	I 4/m c m	36.739; 36.739; 73.888 90; 90; 90	99731	Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D. Ligand-Based Phase Control in Porous Zirconium Coordination Cages Chemistry of Materials, 2020
1101220	CIF	C100 H212 K8 O128 S2 Si2 Ti4 W20	F d d d :2	33.2107; 35.4445; 85.0187 90; 90; 90	100079	Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate Inorganic Chemistry, 2006, 45, 2347-2356
1558902	CIF	C44 H20 Cu2 N2 O10	F m -3 m	46.45; 46.45; 46.45 90; 90; 90	100221	Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan Engineering micromechanics of soft porous crystals for negative gas adsorption Chemical Science, 2020
1551045	CIF	C324 H240 Cu12 N12 O108 Zn12	F m -3 m	46.455; 46.455; 46.455 90; 90; 90	100253	Lee, Jiyoung; Choi, Jae Sun; Jeong, Nak Cheon; Choe, Wonyoung Formation of Trigons in a Metal-Organic Framework: The Role of Metal-Organic Polyhedron Subunits as Meta-Atoms Chemical Science, 2019
4004046	CIF	C41 H18 N2 O11 Zn2	F m -3 m	46.47; 46.47; 46.47 90; 90; 90	100350	Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks Chemistry of Materials, 2021, 33, 7964-7971
4004047	CIF	C41 H18 Co2 N2 O11	F m -3 m	46.52; 46.52; 46.52 90; 90; 90	100674	Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks Chemistry of Materials, 2021, 33, 7964-7971
1558906	CIF	C42 H22 Cu2 N2 O10	F m -3 m	46.54; 46.54; 46.54 90; 90; 90	100804	Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan Engineering micromechanics of soft porous crystals for negative gas adsorption Chemical Science, 2020
7125094	CIF	C30 Cu2 N2 O12	F m -3 m	46.542; 46.542; 46.542 90; 90; 90	100817	Zheng, Baishu; Wang, Hang; Wang, Zhaoxu; Ozaki, Noriaki; Hang, Cheng; Luo, Xin; Huang, Lu; Zeng, Wenjiang; Yang, Ming; Duan, Jingui A highly porous rht-type acylamide-functionalized metal-organic framework exhibiting large CO<sub>2</sub> uptake capabilities. Chemical communications (Cambridge, England), 2016, 52, 12988-12991
4119352	CIF	C472 H505 Cl20 Fe10 N75 O89	P 41 21 2	43.1549; 43.1549; 54.1365 90; 90; 90	100821	Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates Journal of the American Chemical Society, 2013, 135, 2723-2733
4115232	CIF	C84.5 H182 Cu5 In30 N13 S54	F d d d :2	43.266; 43.467; 53.721 90; 90; 90	101030	Xianhui Bu; Nanfeng Zheng; Yuqi Li; Pingyun Feng Pushing Up the Size Limit of Chalcogenide Supertetrahedral Clusters: Two- and Three-Dimensional Photoluminescent Open Frameworks from (Cu5In30S54)13- Clusters Journal of the American Chemical Society, 2002, 124, 12646-12647
7108520	CIF	C40 H20 Cu2 N2 O10	F m -3 m	46.588; 46.588; 46.588 90; 90; 90	101117	Ulrich Stoeck; Simon Krause; Volodymyr Bon; Irena Senkovska; Stefan Kaskel A highly porous metal organic framework, constructed from a cuboctahedral super-molecular building block, with exceptionally high methane uptake Chem.Commun., 2012, 48, 10841
4301546	CIF	C54 H40 N2 O18 Zn4	F m -3 m	46.627; 46.627; 46.627 90; 90; 90	101371	Hyungphil Chun; Heejin Jung; Jinwoo Seo Isoreticular Metal-Organic Polyhedral Networks Based on 5-Connecting Paddlewheel Motifs Inorganic Chemistry, 2009, 48, 2043-2047
4109098	CIF	C32 H16 Cu2 N4 O10	F m -3 m	46.636; 46.636; 46.636 90; 90; 90	101429	Shengqian Ma; Daofeng Sun; Michael Ambrogio; Jacqueline A. Fillinger; Sean Parkin; Hong-Cai Zhou Framework-Catenation Isomerism in Metal-Organic Frameworks and Its Impact on Hydrogen Uptake Journal of the American Chemical Society, 2007, 129, 1858-1859
4120768	CIF	C164 H146 F24 N14 O8 P12 Re4	F -4 3 c	46.6523; 46.6523; 46.6523 90; 90; 90	101536	Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties Journal of the American Chemical Society, 2013, 135, 13266-13269
1548397	CIF	C36 H20 Co2 N6 O15	F d -3 m :2	46.6983; 46.6983; 46.6983 90; 90; 90	101836	Feng, Rui; Jia, Yan-Yuan; Li, Zhao-Yang; Chang, Ze; Bu, Xian-He Enhancing the stability and porosity of penetrated metal-organic frameworks through the insertion of coordination sites. Chemical science, 2018, 9, 950-955
7108518	CIF	C40 H20 Co2 N2 O10	F m -3 m	46.73; 46.73; 46.73 90; 90; 90	102044	Ulrich Stoeck; Simon Krause; Volodymyr Bon; Irena Senkovska; Stefan Kaskel A highly porous metal organic framework, constructed from a cuboctahedral super-molecular building block, with exceptionally high methane uptake Chem.Commun., 2012, 48, 10841
1544065	CIF	C96 H48 Cu3 O15	I m -3 m	46.744; 46.744; 46.744 90; 90; 90	102136	Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q. Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage Energy Environ. Sci., 2016, 9, 3279
4126024	CIF	C190.5 H184 F40.5 Fe4 N40 O31.5 P5.5 S10.5	F d d d	18.6629; 64.266; 85.271 90; 90; 90	102273	Zhang, Dawei; Ronson, Tanya K.; Mosquera, Jesús; Martinez, Alexandre; Guy, Laure; Nitschke, Jonathan R. Anion Binding in Water Drives Structural Adaptation in an Azaphosphatrane-Functionalized Fe(II)4L4 Tetrahedron. Journal of the American Chemical Society, 2017, 139, 6574-6577
7238864	CIF	C216 H148 O39 Zn7	R -3 c :H	33.48; 33.48; 105.59 90; 90; 120	102500	Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J. Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands CrystEngComm, 2013, 15, 9811
7108519	CIF	C40 H20 N2 O10 Zn2	F m -3 m	46.806; 46.806; 46.806 90; 90; 90	102543	Ulrich Stoeck; Simon Krause; Volodymyr Bon; Irena Senkovska; Stefan Kaskel A highly porous metal organic framework, constructed from a cuboctahedral super-molecular building block, with exceptionally high methane uptake Chem.Commun., 2012, 48, 10841
4107310	CIF	C222 H276 Ag30 N60	I 41/a :2	61.7239; 61.7239; 26.9189 90; 90; 90	102557	Jie-Peng Zhang; Susumu Kitagawa Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate Journal of the American Chemical Society, 2008, 130, 907-917
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
7217727	CIF	C206 H146 Cl18 N18 O2 Zn6	R -3 :H	70.6015; 70.6015; 23.992 90; 90; 120	103568	Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A. Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes CrystEngComm, 2014, 16, 8691
7104225	CIF	C109 H189 Cu3 N15 O41 S8	F m -3 m	47.005; 47.005; 47.005 90; 90; 90	103856	Yan, Yong; Lin, Xiang; Yang, Sihai; Blake, Alexander J; Dailly, Anne; Champness, Neil R; Hubberstey, Peter; Schröder, Martin Exceptionally high H2 storage by a metal-organic polyhedral framework. Chemical communications (Cambridge, England), 2009, 34, 1025-1027
4122807	CIF	C688 H1107 Dy19 N104 O190	P 1 21/n 1	27.1914; 64.5676; 59.3556 90; 92.701; 90	104094	D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I. Lanthanoid "bottlebrush" clusters: remarkably elongated metal-oxo core structures with controllable lengths. Journal of the American Chemical Society, 2014, 136, 15122-15125
7006234	CIF	C407 H612 Ga28 N112 O193	C 1 2/c 1	73.383; 37.028; 40.988 90; 110.56; 90	104280	Park, Mira; John, Rohith P.; Moon, Dohyun; Lee, Kyungjin; Kim, Ghyung Hwa; Lah, Myoung Soo Two octanuclear gallium metallamacrocycles of topologically different connectivities. Dalton transactions (Cambridge, England : 2003), 2007, 5412-5418
4337625	CIF	C127 H240 Fe6 Gd6 O59 P6	R -3 c	34.247; 34.247; 103.0464 90; 90; 120	104667	Pineda, Eufemio Moreno; Tuna, Floriana; Zheng, Yan-Zhen; Teat, Simon J.; Winpenny, Richard E. P.; Schnack, Jürgen; McInnes, Eric J. L. Iron Lanthanide Phosphonate Clusters: {Fe6Ln6P6} Wells-Dawson-like Structures with D3d Symmetry. Inorganic chemistry, 2014, 53, 3032-3038
7132239	CIF	C621.5 H950.5 Ba16 N44.5 O180.5	R -3 c :H	33.701; 33.701; 106.519 90; 90; 120	104772	Sikligar, Kanishka; Kelley, Steven Paul; Baker, Gary A.; Atwood, Jerry L. Hierarchical 2D honeycomb-like network from barium-seamed nanocapsules Chemical Communications, 2023
7112225	CIF	C66 H36 Cu3 O15	C 1 2/m 1	71.4; 42.999; 42.569 90; 126.08; 90	105625	Nianyong Zhu; Matthew J. Lennox; Tina Duren; Wolfgang Schmitt Polymorphism of metal-organic frameworks: direct comparison of structures and theoretical N2-uptake of topological pto- and tbo-isomers Chem.Commun., 2014, 50, 4207
7116639	CIF	C256 H208 Ir6 N26 O4	I -4 2 d	46.154; 46.154; 49.592 90; 90; 90	105640	Nem Singh; Jae-Ho Jo; Young Ho Song; Hyunuk Kim; Dongwook Kim; Myoung Soo Lah; Ki-Whan Chi Coordination-driven self-assembly of an iridium-cornered prismatic cage and encapsulation of three heteroguests in its large cavity Chem.Commun., 2015, 51, 4492
7101834	CIF	C12 H17 N3 O2 Pt	F d -3 c :2	47.3348; 47.3348; 47.3348 90; 90; 90	106058	Zhang, Fenbao; Jennings, Michael C; Puddephatt, Richard J Organometallic molecular materials: self-assembly through hydrogen bonding of an organoplatinum network structure with zeolite-like topology. Chemical communications (Cambridge, England), 2007, 1496-1498
4124879	CIF	C399 H382.5 Cd8 F48 N63.5 O72 S16	C 1 2/c 1	90.538; 27.809; 48.343 90; 119.129; 90	106323	Mosquera, Jesús; Ronson, Tanya K.; Nitschke, Jonathan R. Subcomponent Flexibility Enables Conversion between D4-Symmetric Cd(II)8L8 and T-Symmetric Cd(II)4L4 Assemblies. Journal of the American Chemical Society, 2016, 138, 1812-1815
7035735	CIF	C1104 H1818 Co24 N162 O282 S24	I 4/m	40.533; 40.533; 64.804 90; 90; 90	106468	Du, Shangchao; Yu, Tang-Qing; Liao, Wuping; Hu, Chunhua Structure modeling, synthesis and X-ray diffraction determination of an extra-large calixarene-based coordination cage and its application in drug delivery. Dalton transactions (Cambridge, England : 2003), 2015, 44, 14394-14402
4132936	CIF	C840.6 H951.3 B264 Cd13 F6 N125.3 O56 Rh12 S2	C 1 2/c 1	52.809; 37.841; 55.765 90; 107.03; 90	106551	Rizzuto, Felix J.; Ramsay, William J.; Nitschke, Jonathan R. Otherwise Unstable Structures Self-Assemble in the Cavities of Cuboctahedral Coordination Cages. Journal of the American Chemical Society, 2018, 140, 11502-11509
1549931	CIF	C642 H612 Cl12 N72 Ni48 O126 S48	R -3 :H	37.799; 37.799; 86.192 90; 90; 120	106649	Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene. Chemical science, 2018, 9, 8535-8541
7125401	CIF	C58.667 H61.333 Cu6 N12 O0.167 S3	C c c a :2	33.7716; 71.5841; 44.3018 90; 90; 90	107100	Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Liu, Xiao-Wei; Li, Mian; Zheng, Ji; Ng, Seik Weng; Li, Dan A luminescent edge-interlocked prismatic heteroleptic metallocage assembled through a ligand replacement reaction. Chemical communications (Cambridge, England), 2019, 55, 11992-11995
4303459	CIF	C144 H192 Fe16 N24 O136 S24	R -3 c :H	26.6256; 26.6256; 174.496 90; 90; 120	107131	Ioanna Papadaki; Christos D. Malliakas; Thomas Bakas; Pantelis N. Trikalitis Molecular Supertetrahedron Decorated with Exposed Sulfonate Groups Built from Mixed-Valence Tetranuclear Fe33+Fe2+(μ3-O)(μ3-SO4)3(-CO2)3 Clusters Inorganic Chemistry, 2009, 48, 9968-9970
1550675	CIF	C80 H44 N4 O24 Zn5	R -3 c	54.3601; 54.3601; 42.0659 90; 90; 120	107652	Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions Chemical Science, 2019
4003381	CIF	C174 H132 Mn2 N12 O36 Ti4	F 41 3 2	47.5803; 47.5803; 47.5803 90; 90; 90	107716	He, Yan-Ping; Yuan, Lv-Bing; Song, Jin-Shuai; Chen, Guang-Hui; Lin, Qipu; Li, Chunsen; Zhang, Lei; Zhang, Jian Optical Resolution of the Water-Soluble Ti4(embonate)6 Cages for Enantioselective Recognition of Chiral Drugs Chemistry of Materials, 2018, 30, 7769
4003380	CIF	C174 H144 Mn2 N12 O36 Ti4	F 41 3 2	47.662; 47.662; 47.662 90; 90; 90	108272	He, Yan-Ping; Yuan, Lv-Bing; Song, Jin-Shuai; Chen, Guang-Hui; Lin, Qipu; Li, Chunsen; Zhang, Lei; Zhang, Jian Optical Resolution of the Water-Soluble Ti4(embonate)6 Cages for Enantioselective Recognition of Chiral Drugs Chemistry of Materials, 2018, 30, 7769
4515298	CIF	C124 H218 Cu8 N40 O46 S	R -3 m :H	44.73; 44.73; 62.671 90; 90; 120	108591	Wang, Dongmei; Zhang, Jian; Li, Guanghua; Yuan, Jiaqi; Li, Jiantang; Huo, Qisheng; Liu, Yunling Mesoporous Hexanuclear Copper Cluster-Based Metal-Organic Framework with Highly Selective Adsorption of Gas and Organic Dye Molecules. ACS applied materials & interfaces, 2018, 10, 31233-31239
4122808	CIF	C652 H959 Dy19 N96 O172	C 1 2/c 1	52.1542; 44.1877; 50.9434 90; 112.332; 90	108597	D'Alessio, Daniel; Sobolev, Alexandre N.; Skelton, Brian W.; Fuller, Rebecca O.; Woodward, Robert C.; Lengkeek, Nigel A.; Fraser, Benjamin H.; Massi, Massimiliano; Ogden, Mark I. Lanthanoid "bottlebrush" clusters: remarkably elongated metal-oxo core structures with controllable lengths. Journal of the American Chemical Society, 2014, 136, 15122-15125
4132089	CIF	C700 H862 N173 O140 P8	C 1 2/c 1	64.922; 38.8988; 43.3302 90; 93.821; 90	109182	Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage. Journal of the American Chemical Society, 2018, 140, 5248-5256
4133533	CIF	C240 H120 O313.5 S12 V65 W15	P 42/m n m	55.536; 55.536; 35.633 90; 90; 90	109901	Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J. Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry. Journal of the American Chemical Society, 2018, 140, 17365-17368
7103031	CIF	C128 H160 Cl12 Eu4 N32	F 4 3 2	47.958; 47.958; 47.958 90; 90; 90	110302	Wada, Atsushi; Watanabe, Masayuki; Yamanoi, Yoshinori; Nishihara, Hiroshi Modification of the luminescence spectra of chloro(tetrapyridylcyclotetramine)europium complexes by fine tuning of the Eu-Cl distance with outer-sphere counterions in the solid state, in a polymer matrix and in solution. Chemical communications (Cambridge, England), 2008, 1671-1673
4109099	CIF	C108 H48 Cu6 N28 O30	R -3 m :H	37.291; 37.291; 92.159 90; 90; 120	110988	Shengqian Ma; Daofeng Sun; Michael Ambrogio; Jacqueline A. Fillinger; Sean Parkin; Hong-Cai Zhou Framework-Catenation Isomerism in Metal-Organic Frameworks and Its Impact on Hydrogen Uptake Journal of the American Chemical Society, 2007, 129, 1858-1859
7125887	CIF	C922 H1222 N150 O268 Zn24	R -3 :H	51.495; 51.495; 48.469 90; 90; 120	111308	Pei, Wen-Yuan; Yang, Jin; Wu, Hui; Zhou, Wei; Yang, Ying-Wei; Ma, Jian-Fang A calix[4]resorcinarene-based giant coordination cage: controlled assembly and iodine uptake. Chemical communications (Cambridge, England), 2020, 56, 2491-2494
1519417	CIF	C162 H78 O32 Y6	I m -3	48.111; 48.111; 48.111 90; 90; 90	111361	Luebke, Ryan; Belmabkhout, Youssef; Weseliński, Łukasz J.; Cairns, Amy J.; Alkordi, Mohamed; Norton, George; Wojtas, Łukasz; Adil, Karim; Eddaoudi, Mohamed Versatile rare earth hexanuclear clusters for the design and synthesis of highly-connectedftw-MOFs Chem. Sci., 2015, 6, 4095
7125313	CIF	C24 H12 N3 Na2.58333 O6	F -4 3 c	48.1642; 48.1642; 48.1642 90; 90; 90	111731	Chen, Di-Ming; Tian, Jia-Yue; Wang, Zhuo-Wei; Liu, Chun-Sen; Chen, Min; Du, Miao An anionic Na(i)-organic framework platform: separation of organic dyes and post-modification for highly sensitive detection of picric acid. Chemical communications (Cambridge, England), 2017, 53, 10668-10671
4067859	CIF	C342 H359 Ag16 Cl5 Cu9 O20 P9	R -3 c :H	33.935; 33.935; 112.33 90; 90; 120	112027	Chen, Zhong-Hui; Zhang, Li-Yi; Chen, Zhong-Ning Structural Characterization and Luminescence Properties of a Triphosphine-Stabilized Ag16Cu9Heterometallic Alkynyl Cluster Organometallics, 2012, 31, 256
7125016	CIF	C440 H572 Au92 S44	C 1 2/c 1	45.325; 28.1243; 88.076 90; 91.544; 90	112233	Liao, Lingwen; Chen, Jishi; Wang, Chengming; Zhuang, Shengli; Yan, Nan; Yao, Chuanhao; Xia, Nan; Li, Lingling; Bao, Xiaoli; Wu, Zhikun Transition-sized Au<sub>92</sub> nanoparticle bridging non-fcc-structured gold nanoclusters and fcc-structured gold nanocrystals. Chemical communications (Cambridge, England), 2016, 52, 12036-12039
4111889	CIF	C384 H328 Cd54 O4 P4 S48 Se32	F -4 3 c	48.248; 48.248; 48.248 90; 90; 90	112315	Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng Crystalline Superlattices from Single-Sized Quantum Dots Journal of the American Chemical Society, 2005, 127, 11963-11965
7117998	CIF	C31 H20 B N	F -4 3 c	48.2907; 48.2907; 48.2907 90; 90; 90	112614	Schickedanz, Kai; Trageser, Timo; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A boron-doped helicene as a highly soluble, benchtop-stable green emitter Chemical Communications (Cambridge, United Kingdom), 2015, 51, 15808-15810
4134907	CIF	C438 H420 Cd6 F36 N60 O60 S12	P b c n	24.8897; 50.19; 90.1828 90; 90; 90	112658	Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R. Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism. Journal of the American Chemical Society, 2020, 142, 9152-9157
4104055	CIF	C29 H26 Cd O9.25	F m -3 c	48.325; 48.325; 48.325 90; 90; 90	112854	Sunirban Das; Hyunuk Kim; Kimoon Kim Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks Journal of the American Chemical Society, 2009, 131, 3814-3815
4111888	CIF	C304 H296 Cd54 N4 O4 S80	F -4 3 c	48.344; 48.344; 48.344 90; 90; 90	112987	Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng Crystalline Superlattices from Single-Sized Quantum Dots Journal of the American Chemical Society, 2005, 127, 11963-11965
4104058	CIF	C28 H26 Cd O8.25	F m -3 c	48.436; 48.436; 48.436 90; 90; 90	113633	Sunirban Das; Hyunuk Kim; Kimoon Kim Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks Journal of the American Chemical Society, 2009, 131, 3814-3815
4120366	CIF	C456 H264 Ag19.2 B23 F92 N110.4 Pd12	C 1 2/m 1	61.066; 61.073; 43.152 90; 135.02; 90	113758	Kate Harris; Qing-Fu Sun; Sota Sato; Makoto Fujita M12L24 Spheres with Endo and Exo Coordination Sites: Scaffolds for Non-Covalent Functionalization Journal of the American Chemical Society, 2013, 135, 12497-12499
4130578	CIF	C440 H572 Au92 S44	C 1 2/c 1	45.3; 28.6539; 88.045 90; 90.94; 90	114269	Zeng, Chenjie; Liu, Chong; Chen, Yuxiang; Rosi, Nathaniel L.; Jin, Rongchao Atomic Structure of Self-Assembled Monolayer of Thiolates on a Tetragonal Au92 Nanocrystal. Journal of the American Chemical Society, 2016, 138, 8710-8713
4104054	CIF	C29 H27 Cd O6.75	F m -3 c	48.527; 48.527; 48.527 90; 90; 90	114275	Sunirban Das; Hyunuk Kim; Kimoon Kim Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks Journal of the American Chemical Society, 2009, 131, 3814-3815
4104057	CIF	C336 H312 O123 Pb12	F m -3 c	48.535; 48.535; 48.535 90; 90; 90	114331	Sunirban Das; Hyunuk Kim; Kimoon Kim Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks Journal of the American Chemical Society, 2009, 131, 3814-3815
4003612	CIF	C192 H168 Cl4 O40 Zr12	F m -3 m	48.54; 48.54; 48.54 90; 90; 90	114367	Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D. Ligand-Based Phase Control in Porous Zirconium Coordination Cages Chemistry of Materials, 2020
4121784	CIF	C336 H324 Ni24 O126 S24	R -3 :H	40.715; 40.715; 80.041 90; 90; 120	114908	Dai, Feng-Rong; Sambasivam, Uma; Hammerstrom, Alex J.; Wang, Zhenqiang Synthetic Supercontainers Exhibit Distinct Solution versus Solid State Guest-Binding Behavior. Journal of the American Chemical Society, 2014, 136, 7480-7491
4104060	CIF	C28 H26 Cd0.66 O6.25 Pb0.34	F m -3 c	48.673; 48.673; 48.673 90; 90; 90	115309	Sunirban Das; Hyunuk Kim; Kimoon Kim Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks Journal of the American Chemical Society, 2009, 131, 3814-3815
4104059	CIF	C28 H26 Cd0.76 O6.75 Pb0.24	F m -3 c	48.686; 48.686; 48.686 90; 90; 90	115402	Sunirban Das; Hyunuk Kim; Kimoon Kim Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks Journal of the American Chemical Society, 2009, 131, 3814-3815
4104064	CIF	C336 H312 O51 Pb12	F m -3 c	48.793; 48.793; 48.793 90; 90; 90	116164	Sunirban Das; Hyunuk Kim; Kimoon Kim Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks Journal of the American Chemical Society, 2009, 131, 3814-3815
4104061	CIF	C28 H26 Cd0.58 O7.75 Pb0.42	F m -3 c	48.827; 48.827; 48.827 90; 90; 90	116407	Sunirban Das; Hyunuk Kim; Kimoon Kim Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks Journal of the American Chemical Society, 2009, 131, 3814-3815
4513991	CIF	C90 H73.5 Cu6 N8 O42.75	F m -3 m	48.8272; 48.8272; 48.8272 90; 90; 90	116409	Guo, Xiangyang; Zhou, Zhen; Chen, Cong; Bai, Junfeng; He, Cheng; Duan, Chunying New rht-Type Metal-Organic Frameworks Decorated with Acylamide Groups for Efficient Carbon Dioxide Capture and Chemical Fixation from Raw Power Plant Flue Gas. ACS applied materials & interfaces, 2016, 8, 31746-31756
4104063	CIF	C28 H26 Cd0.16 O6.25 Pb0.84	F m -3 c	48.829; 48.829; 48.829 90; 90; 90	116422	Sunirban Das; Hyunuk Kim; Kimoon Kim Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks Journal of the American Chemical Society, 2009, 131, 3814-3815
4125327	CIF	C366 H192 O66 Zr13	P m -3 n	48.842; 48.842; 48.842 90; 90; 90	116515	Zhang, Xin; Zhang, Xu; Johnson, Jacob A.; Chen, Yu-Sheng; Zhang, Jian Highly Porous Zirconium Metal-Organic Frameworks with β-UH3-like Topology Based on Elongated Tetrahedral Linkers Journal of the American Chemical Society, 2016, 138, 8380-8383
1515048	CIF	C348 H354 Cl6 Co24 N6 O72 S24	I a -3	48.8463; 48.8463; 48.8463 90; 90; 90	116545	Xiong, Kecai; Jiang, Feilong; Gai, Yanli; Yuan, Daqiang; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Hong, Maochun Truncated octahedral coordination cage incorporating six tetranuclear-metal building blocks and twelve linear edges Chemical Science, 2012, 3, 2321
4104056	CIF	C336 H312 O219 Pb12	F m -3 c	48.85; 48.85; 48.85 90; 90; 90	116572	Sunirban Das; Hyunuk Kim; Kimoon Kim Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks Journal of the American Chemical Society, 2009, 131, 3814-3815
4118084	CIF	C28 H8 Cu2 O10	F m -3 m	48.893; 48.893; 48.893 90; 90; 90	116880	Omar K. Farha; Christopher E. Wilmer; Ibrahim Eryazici; Brad G. Hauser; Philip A. Parilla; Kevin O'Neill; Amy A. Sarjeant; SonBinh T. Nguyen; Randall Q. Snurr; Joseph T. Hupp Designing Higher Surface Area Metal-Organic Frameworks: Are Triple Bonds Better Than Phenyls? Journal of the American Chemical Society, 2012, 134, 9860-9863
4123746	CIF	C84 H168 Mo12 N3 O66 P Zn4	I a -3 d	48.928; 48.928; 48.928 90; 90; 90	117131	Qin, Jun-Sheng; Du, Dong-Ying; Guan, Wei; Bo, Xiang-Jie; Li, Ya-Fei; Guo, Li-Ping; Su, Zhong-Min; Wang, Yuan-Yuan; Lan, Ya-Qian; Zhou, Hong-Cai Ultrastable Polymolybdate-Based Metal-Organic Frameworks as Highly Active Electrocatalysts for Hydrogen Generation from Water. Journal of the American Chemical Society, 2015, 137, 7169-7177
4104062	CIF	C28 H26 Cd0.38 O5.75 Pb0.62	F m -3 c	48.947; 48.947; 48.947 90; 90; 90	117268	Sunirban Das; Hyunuk Kim; Kimoon Kim Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks Journal of the American Chemical Society, 2009, 131, 3814-3815
7227998	CIF	C19 H22.67 O1.33 S	R -3 :H	111.791; 111.791; 10.8568 90; 90; 120	117502	Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal An unprecedented Dianin clathrate structure with Z ′ (host) = 16 CrystEngComm, 2017
4104642	CIF	C48 H27 Cu3 N O15	F m -3 m	49.112; 49.112; 49.112 90; 90; 90	118458	Dan Zhao; Daqiang Yuan; Daofeng Sun; Hong-Cai Zhou Stabilization of Metal-Organic Frameworks with High Surface Areas by the Incorporation of Mesocavities with Microwindows Journal of the American Chemical Society, 2009, 131, 9186-9188
4342488	CIF	C540 H471 B24 Co12 F96 N108 O37.5	R -3	44.705; 44.705; 68.621 90; 90; 120	118768	Cullen, William; Hunter, Christopher A.; Ward, Michael D. An Interconverting Family of Coordination Cages and a meso-Helicate; Effects of Temperature, Concentration, and Solvent on the Product Distribution of a Self-Assembly Process. Inorganic chemistry, 2015, 54, 2626-2637
4104065	CIF	C29 H26 Dy O6.75	F m -3 c	49.267; 49.267; 49.267 90; 90; 90	119583	Sunirban Das; Hyunuk Kim; Kimoon Kim Metathesis in Single Crystal: Complete and Reversible Exchange of Metal Ions Constituting the Frameworks of Metal-Organic Frameworks Journal of the American Chemical Society, 2009, 131, 3814-3815
4103514	CIF	C236 H436 Mn40 N4 Na4 O182	I 41/a c d :2	34.5332; 34.5332; 100.3812 90; 90; 90	119709	Eleni E. Moushi; Christos Lampropoulos; Wolfgang Wernsdorfer; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos Inducing Single-Molecule Magnetism in a Family of Loop-of-Loops Aggregates: Heterometallic Mn40Na4 Clusters and the Homometallic Mn44 Analogue Journal of the American Chemical Society, 2010, 132, 16146-16155
4103952	CIF	C276 H354 Cl4 N24 Na16 O168 S16 Zn4	I 41/a :2	49.14; 49.14; 49.8 90; 90; 90	120254	Rita De Zorzi; Nicol Guidolin; Lucio Randaccio; Roberto Purrello; Silvano Geremia Nanoporous Crystals of Calixarene/Porphyrin Supramolecular Complex Functionalized by Diffusion and Coordination of Metal Ions Journal of the American Chemical Society, 2009, 131, 2487-2489
4125328	CIF	C360 H96 B6 F84 O57 Zr13	P m -3 n	49.365; 49.365; 49.365 90; 90; 90	120298	Zhang, Xin; Zhang, Xu; Johnson, Jacob A.; Chen, Yu-Sheng; Zhang, Jian Highly Porous Zirconium Metal-Organic Frameworks with β-UH3-like Topology Based on Elongated Tetrahedral Linkers Journal of the American Chemical Society, 2016, 138, 8380-8383
7711922	CIF	C310 H247 Cl8 F30 N O81 Zr24	C 1 2/c 1	35.539; 32.1758; 105.6671 90; 94.954; 90	120379	Sullivan, Meghan G.; Sokolow, Gregory E.; Jensen, Eric T.; Crawley, Matthew R.; MacMillan, Samantha N.; Cook, Timothy R. Altering the solubility of metal-organic polyhedra <i>via</i> pendant functionalization of Cp<sub>3</sub>Zr<sub>3</sub>O(OH)<sub>3</sub> nodes. Dalton transactions (Cambridge, England : 2003), 2023, 52, 338-346
4133993	CIF	C212 H188 B4 F16 N36 Pt12 S12	R -3 c :H	42.847; 42.847; 76.037 90; 90; 120	120892	Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units. Journal of the American Chemical Society, 2020
4133997	CIF	C436 H398 B12 F48 N77 Pd24 S24	R -3 c :H	42.816; 42.816; 76.435 90; 90; 120	121349	Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units. Journal of the American Chemical Society, 2020
7227999	CIF	C19 H22.67 O1.33 Se	R -3 :H	113.983; 113.983; 10.7937 90; 90; 120	121445	Frampton, Christopher Stephen; MacNicol, David D.; Gall, James H.; Mohd Ali, Hapipah; Azizan, Ainnul; Ketuly, Kamal An unprecedented Dianin clathrate structure with Z ′ (host) = 16 CrystEngComm, 2017
7212897	CIF	C288 H266 Cl4 Cu3 N24 Na16 O169 S16 Zn4	I 41/a :2	49.63; 49.63; 49.49 90; 90; 90	121901	De Zorzi, Rita; Guidolin, Nicol; Randaccio, Lucio; Geremia, Silvano A bifunctionalized porous material containing discrete assemblies of copper-porphyrins and calixarenes metallated by ion diffusion CrystEngComm, 2010, 12, 4056
4103951	CIF	C296 H362 N24 Na20 O162 S16	I 41/a :2	50.3695; 50.3695; 48.0517 90; 90; 90	121911	Rita De Zorzi; Nicol Guidolin; Lucio Randaccio; Roberto Purrello; Silvano Geremia Nanoporous Crystals of Calixarene/Porphyrin Supramolecular Complex Functionalized by Diffusion and Coordination of Metal Ions Journal of the American Chemical Society, 2009, 131, 2487-2489
1558905	CIF	C42 H24 Cu2 N2 O10	F m -3 m	49.59; 49.59; 49.59 90; 90; 90	121950	Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan Engineering micromechanics of soft porous crystals for negative gas adsorption Chemical Science, 2020
4111295	CIF	C32 H20 Cu2 N8 O10	F m -3	49.6188; 49.6188; 49.6188 90; 90; 90	122163	Xi-Sen Wang; Shengqian Ma; Daofeng Sun; Sean Parkin; Hong-Cai Zhou A Mesoporous Metal-Organic Framework with Permanent Porosity Journal of the American Chemical Society, 2006, 128, 16474-16475
7212896	CIF	C288 H342.38 Cu3 N24 Na20 O159.26 S16	I 41/a :2	50.411; 50.411; 48.082 90; 90; 90	122189	De Zorzi, Rita; Guidolin, Nicol; Randaccio, Lucio; Geremia, Silvano A bifunctionalized porous material containing discrete assemblies of copper-porphyrins and calixarenes metallated by ion diffusion CrystEngComm, 2010, 12, 4056
4321056	CIF	C37 H28 Au2 Cl2 P2 S4	F d -3 c :2	49.678; 49.678; 49.678 90; 90; 90	122601	Kirstin Ortner; Louise Hilditch; Yifan Zheng; Jonathan R. Dilworth; Ulrich Abram Gold Complexes with Potentially Tri- and Tetradentate Phosphinothiolate Ligands Inorganic Chemistry, 2000, 39, 2801-2806
1558903	CIF	C42 H22 Cu2 N2 O10	F m -3 m	49.76; 49.76; 49.76 90; 90; 90	123209	Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan Engineering micromechanics of soft porous crystals for negative gas adsorption Chemical Science, 2020
4133988	CIF	C228 H206 B7 F28 N26 Pd12 S12	R -3 c :H	43.2323; 43.2323; 76.187 90; 90; 120	123318	Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units. Journal of the American Chemical Society, 2020
4133989	CIF	C224 H198 B6 F24 N24 Pt12 S12	R -3 c :H	43.39; 43.39; 75.917 90; 90; 120	123780	Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units. Journal of the American Chemical Society, 2020
7108176	CIF	C108 H148 Hf6 N18 O47 S12	F m -3 m	49.84; 49.84; 49.84 90; 90; 90	123804	Volodymyr Bon; Volodymyr Senkovskyy; Irena Senkovska; Stefan Kaskel Zr(IV) and Hf(IV) Metal-Organic Frameworks with reo-topology Chem.Commun., 2012, 48, 8407
7042201	CIF	C128 H149 N40 Ni4 O24 S12.5	R -3 c :H	31.3107; 31.3107; 145.863 90; 90; 120	123840	Yang, Lu; Zhao, Liang; Zhou, Zhen; He, Cheng; Sun, Hui; Duan, Chunying A thiourea-functionalized metal-organic macrocycle for the catalysis of Michael additions and prominent size-selective effect. Dalton transactions (Cambridge, England : 2003), 2017, 46, 4086-4092
2311717	CIF Paper	Cu3.311 Si	P -3	56.98; 56.98; 44.055 90; 90; 120	123871	Corrêa, Cinthia Antunes; Perez, Olivier; Kopeček, Jaromír; Brázda, Petr; Klementová, Mariana; Palatinus, Lukáš Crystal structures of η''-Cu<sub>3+x</sub>Si and η'''-Cu<sub>3+x</sub>Si. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 767-774
7212898	CIF	C280 H418.26 Cu3 N24 Na12.8 Ni3.6 O201.12 S16	I 41/a :2	50.17; 50.17; 49.46 90; 90; 90	124492	De Zorzi, Rita; Guidolin, Nicol; Randaccio, Lucio; Geremia, Silvano A bifunctionalized porous material containing discrete assemblies of copper-porphyrins and calixarenes metallated by ion diffusion CrystEngComm, 2010, 12, 4056
4103953	CIF	C69 H62 N6 Na3 Ni O28.75 S4	I 41/a m d :2	49.646; 49.646; 50.592 90; 90; 90	124695	Rita De Zorzi; Nicol Guidolin; Lucio Randaccio; Roberto Purrello; Silvano Geremia Nanoporous Crystals of Calixarene/Porphyrin Supramolecular Complex Functionalized by Diffusion and Coordination of Metal Ions Journal of the American Chemical Society, 2009, 131, 2487-2489
7108175	CIF	C108 H184 N18 O65 S12 Zr6	F m -3 m	49.964; 49.964; 49.964 90; 90; 90	124730	Volodymyr Bon; Volodymyr Senkovskyy; Irena Senkovska; Stefan Kaskel Zr(IV) and Hf(IV) Metal-Organic Frameworks with reo-topology Chem.Commun., 2012, 48, 8407
4301077	CIF	C204 H174 Co3 Ga4 K9 N12 O36	F d -3 c :2	50.004; 50.004; 50.004 90; 90; 90	125030	Michael D. Pluth; Darren W. Johnson; Géza Szigethy; Anna V. Davis; Simon J. Teat; Allen G. Oliver; Robert G. Bergman; Kenneth N. Raymond Structural Consequences of Anionic Host-Cationic Guest Interactions in a Supramolecular Assembly Inorganic Chemistry, 2009, 48, 111-120
4131683	CIF	C840 H1092 Au279 S83	P 1 21/n 1	35.924; 95.717; 36.659 90; 94.532; 90	125659	Sakthivel, Naga Arjun; Theivendran, Shevanuja; Ganeshraj, Vigneshraja; Oliver, Allen G.; Dass, Amala Crystal Structure of Faradaurate-279: Au<sub>279</sub>(SPh-tBu)<sub>84</sub> Plasmonic Nanocrystal Molecules. Journal of the American Chemical Society, 2017, 139, 15450-15459