Crystallography Open Database

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4079406 CIFC89 H71 Cl2 N3 RuR -3 :H44.082; 44.082; 22.826
90; 90; 120
38413Manzini, Simone; Urbina Blanco, César A.; Slawin, Alexandra M. Z.; Nolan, Steven P.
Effect of Ligand Bulk in Ruthenium-Catalyzed Olefin Metathesis: IPr* vs IPr
Organometallics, 2012, 31, 6514
7107446 CIFC342 H277 Cl16 Co8 N75 O66R -3 :H28.8897; 28.8897; 53.152
90; 90; 120
38418Simon Turega; Martina Whitehead; Benjamin R. Hall; Mairi F. Haddow; Christopher A. Hunter; Michael D. Ward
Selective guest recognition by a self-assembled paramagnetic cage complex
Chem. Commun., 2012, 48, 2752
4113066 CIFC66 H100 O40 Pr3.75 S6P 4/n n c :230.052; 30.052; 42.551
90; 90; 90
38429Jerry L. Atwood; Leonard J. Barbour; Scott J. Dalgarno; Michaele J. Hardie; Colin L. Raston; Helen R. Webb
Toward Mimicking Viral Geometry with Metal-Organic Systems
Journal of the American Chemical Society, 2004, 126, 13170-13171
1570023 CIFC24 H13 Cl In3 N2 O14.5I m -3 m33.748; 33.748; 33.748
90; 90; 90
38436.5Barsukova, 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
4348031 CIFC264 H313 Ag64 F24 Mn3 Mo14 N10 O75C 1 2/c 137.9167; 25.2465; 41.6881
90; 105.587; 90
38438.9Wang, Jian-Yu; Liu, Kuan-Guan; Guan, Zong-Jie; Nan, Zi-Ang; Lin, Yu-Mei; Wang, Quan-Ming
[Mn(III)Mn(IV)2Mo14O56](17-): A Mixed-Valence Meso-Polyoxometalate Anion Encapsulated by a 64-Nuclearity Silver Cluster.
Inorganic chemistry, 2016, 55, 6833-6835
7245099 CIFC212 H145 N13 O41C 1 2/c 149.9843; 28.7291; 26.9217
90; 96.118; 90
38439.5Kobayashi, Mayu; Kubo, Haruka; Oketani, Ryusei; Hisaki, Ichiro
Quinoxaline-annelated hexadehydro[12]annulene: Use of a new building block to construct a hydrogen-bonded hexagonal molecular network
CrystEngComm, 2022
4342507 CIFC113 H150.5 Cl3 Cu3 K3 N9 O25.75P b c n24.8803; 28.4809; 54.2721
90; 90; 90
38458Guillet, 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
7031928 CIFC102 H120 Li4 O24 Ti2R 3 :H36.798; 36.798; 32.7961
90; 90; 120
38459.3Albrecht, M.; Isaak, E.; Shigemitsu, H.; Moha, V.; Raabe, G.; Fröhlich, R
Terpenols as substituents for the diastereoselective formation of enantiomerically pure triple lithium-bridged helicate type-coordination compounds.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 14636-14643
1564493 CIFC379 H405 B Co8 F4 N73 O65 S7.5C 1 2/c 133.143; 29.6976; 39.3556
90; 96.4465; 90
38491.5Ludden, Michael D.; Taylor, Christopher G. P.; Ward, Michael D.
Orthogonal binding and displacement of different guest types using a coordination cage host with cavity-based and surface-based binding sites
Chemical Science, 2021
7031927 CIFC111 H141 Li4 N3 O27 Ti2R 3 :H37.0007; 37.0007; 32.4997
90; 90; 120
38532.7Albrecht, M.; Isaak, E.; Shigemitsu, H.; Moha, V.; Raabe, G.; Fröhlich, R
Terpenols as substituents for the diastereoselective formation of enantiomerically pure triple lithium-bridged helicate type-coordination compounds.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 14636-14643
7121468 CIFC668 H828 Ag90 Cl18 N8 O121 S46 W10P 1 21/n 124.0308; 35.6613; 45.039
90; 92.815; 90
38550Liu, Jia-Wei; Su, Hai-Feng; Wang, Zhi; Li, Yan-An; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun
A giant 90-nucleus silver cluster templated by hetero-anions.
Chemical communications (Cambridge, England), 2018, 54, 4461-4464
7711279 CIFC371 H390 B16 Co8 F64 N73 O31C 1 2/c 132.978; 29.72814; 39.5702
90; 96.1393; 90
38571.1Mozaceanu, Cristina; Solea, Atena B.; Taylor, Christopher; Sudittapong, Burin; Ward, Michael D.
Disentangling contributions to guest binding inside a coordination cage host: analysis of a set of isomeric guests with differing polarities
Dalton Transactions, 2022
7124617 CIFC343 H281 B16 Co8 F64 N72 O3 PC 1 2/c 132.7148; 29.7919; 39.8554
90; 96.733; 90
38576.6Taylor, Christopher G. P.; Piper, Jerico R.; Ward, Michael D.
Binding of chemical warfare agent simulants as guests in a coordination cage: contributions to binding and a fluorescence-based response.
Chemical communications (Cambridge, England), 2016, 52, 6225-6228
1515472 CIFC264 H288 N16 S4 Zn4I -4 2 d41.392; 41.392; 22.518
90; 90; 90
38580Song, 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
7101933 CIFC126 H100.5 Au6 F9 Fe3 N4.5 O17 P6 S3R -3 c :H19.0071; 19.0071; 123.338
90; 90; 120
38588.6Teo, Peili; Koh, L L; Hor, T S Andy
Assembly of gold rings and chains with pyridyl carboxylate as directional spacer.
Chemical communications (Cambridge, England), 2007, 2225-2227
4119838 CIFC94 H115.33 Cu2 F12 N12 O35.67 Rh4 S4C 1 2/c 137.549; 30.069; 37.472
90; 114.19; 90
38593Sheng-Li Huang; Yue-Jian Lin; T. S. Andy Hor; Guo-Xin Jin
Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean Link Structures and Catalytic Acyl Transfer
Journal of the American Chemical Society, 2013, 135, 8125-8128
4127357 CIFC337 H260 Ag12 F60 N88 O48 S22C 1 2/c 143.6194; 32.4028; 27.3509
90; 92.564; 90
38618.8Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.
Anion Pairs Template a Trigonal Prism with Disilver Vertices.
Journal of the American Chemical Society, 2019, 141, 11409-11413
4108639 CIFC341 H284 B16 F64 N72 Ni8 O5C 1 2/c 133.0351; 29.5646; 39.8684
90; 97.011; 90
38647Ian S. Tidmarsh; Thomas B. Faust; Harry Adams; Lindsay P. Harding; Luca Russo; William Clegg; Michael D. Ward
Octanuclear Cubic Coordination Cages
Journal of the American Chemical Society, 2008, 130, 15167-15175
7025677 CIFC36 H84 Al2 O8 Si2 YbC 1 2/c 136.5316; 21.0298; 50.333
90; 90.474; 90
38667Le Roux, Erwan; Michel, Olaf; Sommerfeldt, Hanne-Marthe; Liang, Yucang; Maichle-Mössmer, Cäcilia; Törnroos, Karl W; Anwander, Reiner
Grafting of peralkylated Ln(II)Al(III) heterobimetallic complexes onto periodic mesoporous silica KIT-6.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 8552-8559
7237149 CIFC217 H237 Eu6 N19 O53F m -3 m33.816; 33.816; 33.816
90; 90; 90
38669Liu, Xinyao; Liu, Bing; Li, Guanghua; Liu, Yunling
Two anthracene-based metal‒organic frameworks for highly effective photodegradation and luminescent detection in water
Journal of Materials Chemistry A, 2018, 6, 17177
7116015 CIFC271 H223 Cl14 N24 Ni26 O96P 1 21/n 125.9587; 45.854; 32.6079
90; 94.904; 90
38671Angeliki A. Athanasopoulou; Melanie Pilkington; Catherine P. Raptopoulou; Albert Escuer; Theocharis C. Stamatatos
Structural aesthetics in molecular nanoscience: a unique Ni26 cluster with a 'rabbit-face' topology and a discrete Ni18 'molecular chain'
Chem.Commun., 2014, 50, 14942
4129153 CIFC72 H63 F36 N9 P6R -3 :H70.029; 70.029; 9.1062
90; 90; 120
38674Cetin, Muhammet Mustafa; Beldjoudi, Yassine; Roy, Indranil; Anamimoghadam, Ommid; Bae, Youn Jue; Young, Ryan M.; Krzyaniak, Matthew D.; Stern, Charlotte L.; Philp, Douglas; Alsubaie, Fehaid M.; Wasielewski, Michael R.; Stoddart, J. Fraser
Combining Intra- and Intermolecular Charge Transfer with Polycationic Cyclophanes to Design 2D Tessellations.
Journal of the American Chemical Society, 2019
7714937 CIFC600 H928 Fe24 N160 O166 S24I 4/m28.4778; 28.4778; 47.72
90; 90; 90
38700Dey, Avishek; Dworzak, Michael R.; Korathotage, Kaushalya D. P.; Ghosh, Munmun; Hoq, Jahidul; Montone, Christine M.; Yap, Glenn P. A.; Bloch, Eric D.
Increasing the stability of calixarene-capped porous cages through coordination sphere tuning.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 4005-4009
4319049 CIFC169 H177 Cl3 Eu9 N O44P n -3 n :233.8252; 33.8252; 33.8252
90; 90; 90
38700.9Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan
Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes
Inorganic Chemistry, 2002, 41, 6802-6807
4300168 CIFC316 H496 B3 Cl Fe14 Mo4 N8 O16 P12 S16P 4/n c c :232.9623; 32.9623; 35.6578
90; 90; 90
38742.7Frank Osterloh; Brent M. Segal; Catalina Achim; R. H. Holm
Reduced Mono-, Di-, and Tetracubane-Type Clusters Containing the [MoFe3S4]2+ Core Stabilized by Tertiary Phosphine Ligation
Inorganic Chemistry, 2000, 39, 980-989
4336116 CIFC230 H211.5 Cu15 Gd7 N16.5 O83.5R -3 :H34.3349; 34.3349; 37.949
90; 90; 120
38743.8Despina Dermitzaki; Giulia Lorusso; Catherine P. Raptopoulou; Vassilis Psycharis; Albert Escuer; Marco Evangelisti; Spyros P. Perlepes; Theocharis C. Stamatatos
Molecular Nanoscale Magnetic Refrigerants: A Ferrimagnetic {CuII15GdIII7} Cagelike Cluster from the Use of Pyridine-2,6-dimethanol
Inorganic Chemistry, 2013, 52, 10235-10237
4519017 CIFC38 H0 Co4 N0 O20R -3 :H29.5302; 29.5302; 51.3571
90; 90; 120
38785Ji, Chunqing; Liu, Shanshan; Su, Kongzhao; El-Sayed, El-Sayed M.; Liu, Heyuan; Wang, Wenjing; Qiu, Fenglei; Li, Xiyou; Yuan, Daqiang
Pyrogallol[4]arene Coordination Nanocapsule Micelle as Bioinspired Water Reduction Catalyst
ACS Materials Letters, 2021, 1315-1320
1515478 CIFC120 H196 Dy6 Mn12 N8 O93F d d d :222.6849; 37.2467; 45.91
90; 90; 90
38791Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.
Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies
Chemical Science, 2011, 2, 1268
4117242 CIFC384 H384 N288 Ni48 O48I a -3 d33.8514; 33.8514; 33.8514
90; 90; 90
38791Xiao-Ping Zhou; Mian Li; Jie Liu; Dan Li
Gyroidal Metal-Organic Frameworks
Journal of the American Chemical Society, 2012, 134, 67-70
7210208 CIFC67 H86 Au6 Cl2 O12 P6 S12I 41/a :226.7928; 26.7928; 54.09
90; 90; 90
38829Pillay, Michael N.; Omondi, Bernard; Staples, Richard J.; van Zyl, Werner E.
A hexanuclear gold(i) metallatriangle derived from a chiral dithiophosphate: synthesis, structure, luminescence and oxidative bromination reactivity
CrystEngComm, 2013, 15, 4417
4319048 CIFC169 H177 Cl3 N O44 Sm9P n -3 n :233.8652; 33.8652; 33.8652
90; 90; 90
38838.4Gang Xu; Zhe-Ming Wang; Zheng He; Zhi Lü; Chun-Sheng Liao; Chun-Hua Yan
Synthesis and Structural Characterization of Nonanuclear Lanthanide Complexes
Inorganic Chemistry, 2002, 41, 6802-6807
1513100 CIFC54 H113 Cl2 N35 O43I 41/a40.8323; 40.8323; 23.3137
90; 90; 90
38870.4Ma, Wen-Juan; Chen, Jia-Mei; Jiang, Long; Yao, Jia; Lu, Tong-Bu
The Delivery of Triamterene by Cucurbit[7]uril: Synthesis, Structures and Pharmacokinetics Study.
Molecular pharmaceutics, 2013, 10, 4698-4705
1570024 CIFC26.67 H14.86 Br In3 N1.33 O14.43I m -3 m33.8796; 33.8796; 33.8796
90; 90; 90
38888Barsukova, 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
4128379 CIFC258 H90C 1 2 145.7488; 31.7238; 31.6653
90; 122.171; 90
38901Zhu, Yanpeng; Guo, Xiaoyu; Li, Yang; Wang, Jiaobing
Fusing of Seven HBCs toward a Green Nanographene Propeller.
Journal of the American Chemical Society, 2019, 141, 5511-5517
4342311 CIFC102 H99 Co8.5 N24 O13P 41 3 233.8846; 33.8846; 33.8846
90; 90; 90
38905.1Wang, Hai-Hua; Jia, Li-Na; Hou, Lei; Shi, Wen-Juan; Zhu, Zhonghua; Wang, Yao-Yu
A New Porous MOF with Two Uncommon Metal-Carboxylate-Pyrazolate Clusters and High CO2/N2 Selectivity.
Inorganic chemistry, 2015, 54, 1841-1846
4304553 CIFC22 H60 La4 N9 Na Ni5 O58P a -333.8871; 33.8871; 33.8871
90; 90; 90
38914Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Zhiping Zheng; Gary Nichol; Rong-Bin Huang; Lan-Sun Zheng
Dual Shell-like Magnetic Clusters Containing NiII and LnIII (Ln = La, Pr, and Nd) Ions
Inorganic Chemistry, 2008, 47, 2728-2739
7019811 CIFC68 H150 Mn N6 O34 V12P 1 21/n 127.2287; 42.8083; 34.1399
90; 102.066; 90
38914.8Li, Fengyan; Long, De-Liang; Cameron, Jamie M.; Miras, Haralampos N.; Pradeep, Chullikkattil P.; Xu, Lin; Cronin, Leroy
Cation induced structural transformation and mass spectrometric observation of the missing dodecavanadomanganate(iv).
Dalton transactions (Cambridge, England : 2003), 2012, 41, 9859-9862
4135040 CIFC382.5 H313.75 B10 Cu10 F40 N56.25 O2.5 S20P 1 21/c 133.308; 28.413; 44.063
90; 110.98; 90
38936Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R.
An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane.
Journal of the American Chemical Society, 2020
4127356 CIFC314 H216 Ag12 F60 N82 O48 S22C 1 2/c 142.8029; 32.731; 27.8538
90; 93.412; 90
38953.5Carpenter, John P.; McTernan, Charlie T.; Ronson, Tanya K.; Nitschke, Jonathan R.
Anion Pairs Template a Trigonal Prism with Disilver Vertices.
Journal of the American Chemical Society, 2019, 141, 11409-11413
4110592 CIFC181.63 H247.25 B2 Cl5.25 F48 P6 Rh6C 1 2/c 169.5388; 20.4464; 27.8999
90; 100.821; 90
38963.2Simon K. Brayshaw; Michael J. Ingleson; Jennifer C. Green; J. Scott McIndoe; Paul R. Raithby; Gabriele Kociok-Köhn; Andrew S. Weller
High Hydride Count Rhodium Octahedra, [Rh6(PR3)6H12][BArF4]2: Synthesis, Structures, and Reversible Hydrogen Uptake under Mild Conditions
Journal of the American Chemical Society, 2006, 128, 6247-6263
1554750 CIFC280 H248 F24 N8 O27 P8 Pd4 S8C 1 2/c 146.6905; 26.3232; 31.9982
90; 97.75; 90
38968Anhäuser, J.; Puttreddy, R.; Lorenz, Y.; Schneider, A.; Engeser, M.; Rissanen, K.; Lützen, A.
Chiral self-sorting behaviour of [2.2]paracyclophane-based bis(pyridine) ligands
Organic Chemistry Frontiers, 2019, 6, 1226
4108638 CIFC342 H288 B16 Co8 F64 N72 O6C 1 2/c 132.9366; 29.9278; 39.8346
90; 96.502; 90
39013Ian S. Tidmarsh; Thomas B. Faust; Harry Adams; Lindsay P. Harding; Luca Russo; William Clegg; Michael D. Ward
Octanuclear Cubic Coordination Cages
Journal of the American Chemical Society, 2008, 130, 15167-15175
4133716 CIFC62 H86 N3 O3 P Si2R -3 :H36.225; 36.225; 34.334
90; 90; 120
39019Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi
Heavier Carbonyl Olefination: The Sila-Wittig Reaction.
Journal of the American Chemical Society, 2019, 141, 16991-16996
4304551 CIFC102 H265 N39 Nd20 Ni21 O254P 21 333.9178; 33.9178; 33.9178
90; 90; 90
39019.6Xiang-Jian Kong; Yan-Ping Ren; La-Sheng Long; Zhiping Zheng; Gary Nichol; Rong-Bin Huang; Lan-Sun Zheng
Dual Shell-like Magnetic Clusters Containing NiII and LnIII (Ln = La, Pr, and Nd) Ions
Inorganic Chemistry, 2008, 47, 2728-2739
4331786 CIFC122 H190 Gd6 Mn12 N8 O88F d d d :222.6535; 37.36; 46.159
90; 90; 90
39066Jun-Liang Liu; Wei-Quan Lin; Yan-Cong Chen; Ji-Dong Leng; Fu-Sheng Guo; Ming-Liang Tong
Symmetry-Related [LnIII6MnIII12] Clusters toward Single-Molecule Magnets and Cryogenic Magnetic Refrigerants
Inorganic Chemistry, 2013, 52, 457-463
1513605 CIFC268 H204 Cl4 F96 N48 P16 Ru8P 1 21/n 126.0256; 52.12; 28.8286
90; 91.92; 90
39083Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier
Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts
Catalysis Science & Technology, 2014, 4, 190
4325583 CIFC76 H107 Cl4 N5 P4 Si4 U2R 3 c :H45.586; 45.586; 21.7302
90; 90; 120
39107Guibin Ma; Michael J. Ferguson; Robert McDonald; Ronald G. Cavell
Actinide Metals with Multiple Bonds to Carbon: Synthesis, Characterization, and Reactivity of U(IV) and Th(IV) Bis(iminophosphorano)methandiide Pincer Carbene Complexes
Inorganic Chemistry, 2011, 50, 6500-6508
4518595 CIFC22 O5.333 ZrF m -3 m33.946; 33.946; 33.946
90; 90; 90
39117Fairchild, David C.; Hossain, Mohammad I.; Cordova, Jesus; Glover, T. Grant; Uribe-Romo, Fernando J.
Steric and Electronic Effects on the Interaction of Xe and Kr with Functionalized Zirconia Metal‒Organic Frameworks
ACS Materials Letters, 2021, 504-510
7128965 CIFC582 H468 B4 F16 Fe20 N146 O2P -118.097; 36.464; 62.104
73.262; 88.26; 87.385
39198Shiga, Takuya; Tachibana, Minami; Sagayama, Hajime; Kumai, Reiji; Newton, Graham N.; Oshio, Hiroki; Nihei, Masayuki
A ring of grids: a giant spin-crossover cluster
Chemical Communications, 2021
7116332 CIFC54 H28 Cu3 N2 O15P m -3 m33.97; 33.97; 33.97
90; 90; 90
39200Ulrich Stoeck; Irena Senkovska; Volodymyr Bon; Simon Krause; Stefan Kaskel
Assembly of metal-organic polyhedra into highly porous frameworks for ethene delivery
Chem.Commun., 2015, 51, 1046

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