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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
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
7721101	CIF	C348.5 H478.5 Cl8 Fe4 N69.5 O81.5	C 1 2/c 1	61.956; 43.506; 46.899 90; 125.466; 90	102960	Zhang, Junhao; Shi, Youpeng; Wu, Yuchen; Yang, Fengyu; Jing, Xu; Duan, Chunying A Dye-loaded Fe4L4 Cage for Efficient Photocatalytic C(sp3)-H Activation Dalton Transactions, 2026
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
1575639	CIF	C34.67 H49 Ag F5 N7.83 O12.33 S1.67	P 21 21 21	23.51; 42.59; 104.3 90; 90; 90	104435	Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications. Chemical science, 2025, 16, 18832-18837
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

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