Crystallography Open Database

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7101359 CIFC849 H1212 Br24 K12 N24 O219R 3 :H43.053; 43.053; 44.166
90; 90; 120
70897Tetsuaki 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 CIFC16 H12 N20 O8 Zn3F d -3 :241.393; 41.393; 41.393
90; 90; 90
70922Jiang, 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 CIFC30 H54 Au3 Co2 N6 Na3.33 O45 S6I 21 341.407; 41.407; 41.407
90; 90; 90
70994Somsri, 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 CIFC109 H96 Ag16 F32 N16 O45R -350.0474; 50.0474; 32.7348
90; 90; 120
71007.4Rebecca 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 CIFC120 H180 Ag13 Cu10 S12F d -3 c :241.4111; 41.4111; 41.4111
90; 90; 90
71015Bao, 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 CIFC360 H198 Cu12 N18 O60R -3 c :H32.322; 32.322; 78.505
90; 90; 120
71027Omoto, 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 S30R -3 c :H25.7341; 25.7341; 124.079
90; 90; 120
71162Conn, 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 CIFC86 H456 Mo84 N2.5 Na43.5 O416 S48F m -341.4417; 41.4417; 41.4417
90; 90; 90
71173Fatma 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 CIFC56 H24 Cl Cu4 O16F m -3 c41.4543; 41.4543; 41.4543
90; 90; 90
71238Yun-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 CIFC98 H108 F24 N12 P4 Ru2 S4C 1 2/c 144.902; 40.884; 38.996
90; 95.497; 90
71259Chen, 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 CIFC84 H48 N6 Ni9 O41F m -3 m41.4694; 41.4694; 41.4694
90; 90; 90
71315.4Ren, 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 CIFC72.67 H40 In2 O21.83R -3 :H44.1252; 44.1252; 42.2961
90; 90; 120
71319Cho, 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 CIFC45 H27 Cu2 N5 O13I m -3 m41.4734; 41.4734; 41.4734
90; 90; 90
71336Lu, 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 CIFC144 H134 F18 N4 O22 P8 Pd4 S6F d d d :234.0893; 39.0572; 53.629
90; 90; 90
71403Ferrer, 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 CIFC119.68001 O290.64267 S14.96 Zr20.84I m -341.49; 41.49; 41.49
90; 90; 90
71422Taylor, 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 CIFC552 H418 F72 N24 O72 P24 Pd12 S24C m c 2118.6651; 51.156; 74.909
90; 90; 90
71525O'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 CIFC1.17 H0.53 O0.24 Zr0.05P m -3 n41.512; 41.512; 41.512
90; 90; 90
71535Ji, 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 CIFC1.25 Hf0.05 O0.26P m -3 n41.516; 41.516; 41.516
90; 90; 90
71556Ji, 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 CIFC84 H50 N12 Ni6 O26F m -3 m41.5216; 41.5216; 41.5216
90; 90; 90
71585Wei, 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 CIFC84 H56 Co9 N6 O41F m -3 m41.5308; 41.5308; 41.5308
90; 90; 90
71632.6Shen, 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 CIFC64 H100 Ni2 P4 Pt S8R -3 :H45.132; 45.132; 40.629
90; 90; 120
71670Kuppuswamy 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 CIFC64 H100 Ni2 P4 Pt S8R -3 :H45.132; 45.132; 40.629
90; 90; 120
71670Kuppuswamy 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 CIFC84 H52 Co3 Fe6 N6 O41F m -3 m41.5406; 41.5406; 41.5406
90; 90; 90
71683.4Shen, 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 CIFC135 H0 N54 O6 Zn15I 41 3 241.5408; 41.5408; 41.5408
90; 90; 90
71684Wang, Fei; Fu, Hong-Ru; Zhang, Jian
Homochiral Metal‒Organic Framework with Intrinsic Chiral Topology and Helical Channels
Crystal Growth & Design, 2015, 15, 1568
4130631 CIFC168 H132 Co4 F72 N24 P12R -3 c :H20.5996; 20.5996; 195.2193
90; 90; 120
71741.6Burke, 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 CIFC180 Co6 N12 O44 Zn8F 4 3 241.5687; 41.5687; 41.5687
90; 90; 90
71828.9Teng Zhang; Feijie Song; Wenbin Lin
Blocking bimolecular activation pathways leads to different regioselectivity in metal-organic framework catalysis
Chem.Commun., 2012, 48, 8766
7104644 CIFC84 H138 Cd4 N46 O18P a -341.5947; 41.5947; 41.5947
90; 90; 90
71963.8Ouellette, 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 CIFC178 H148 Ce4 N30 O31R -3 c :H30.927; 30.927; 86.9
90; 90; 120
71982Jian 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 CIFC150 H168 B6 Cl24 Cu6 F24 N24 S6F d -3 :241.603; 41.603; 41.603
90; 90; 90
72007Irene 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 CIFC288 H330 Cu2 Na2 O496 P6 W72I 2 341.6063; 41.6063; 41.6063
90; 90; 90
72024Jiang, 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 CIFC72 H36 In2 O16R -3 :H44.2269; 44.2269; 42.519
90; 90; 120
72026Cho, 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 CIFC2.17 O0.45 Zr0.09P m -3 n41.616; 41.616; 41.616
90; 90; 90
72074Ji, 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 CIFC144 H134 F18 N4 O22 P8 Pd2 Pt2 S6F d d d :234.1344; 39.0265; 54.2199
90; 90; 90
72229Ferrer, 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 CIFC852 H1272 Co4 Cr42 F48 Fe8 N18 Ni6 O256P -130.4435; 41.9494; 61.4182
70.698; 78.434; 83.927
72458Ferrando-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 CIFC138 Mo96 N12 O328 P11I 2 341.691; 41.691; 41.691
90; 90; 90
72464.8Ulrich 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 CIFC720 H1306 N216 O577 Pd24I 4/m36.935; 36.935; 53.156
90; 90; 90
72515Bhat, 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 CIFC144 H165 Co Na O252 P3 W36I 2 341.7665; 41.7665; 41.7665
90; 90; 90
72859Jiang, 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 CIFC266.5 H223.5 Cl16 N74.5 O81 Zn8P 1 21/c 125.726; 42.927; 66.265
90; 94.909; 90
72911Stephenson, 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 CIFC720 H816 Cu24 N48 O152 Zn32F 41 3 241.7868; 41.7868; 41.7868
90; 90; 90
72965.5Xia, 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 CIFC450 H540 N45 O323.5 S12 V65 W15P 42/m m c43.2511; 43.2511; 39.0469
90; 90; 90
73043Zhang, 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 CIFC266 H240 Br12 Cu6 N18 O63 S7R -3 :H38.1839; 38.1839; 57.9645
90; 90; 120
73190.3Flora 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 CIFC532.73 H790.5 Cl8 Co32 N73.3 O136.83 S32C 1 2/c 149.3116; 26.6728; 56.2706
90; 97.979; 90
73295Zhang, 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 CIFC185 H75 In4 N O34R -3 :H45.597; 45.597; 40.718
90; 90; 120
73314Cho, 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 CIFC7 H5 Cu2 I N4 SI a -3 d41.856; 41.856; 41.856
90; 90; 90
73329Shan, 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 CIFC72 H40 In2 O16R -3 :H44.874; 44.874; 42.074
90; 90; 120
73373Panpan; 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 CIFC280 H406 Ag48 Au3 Cl7 F12 S28 Sb2C 1 2/c 141.694; 29.9362; 62.1774
90; 108.961; 90
73396.4Liu, 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 CIFCa2.86 H7.67 O10.92 Si2.2P 1200; 3.675; 100
90; 90; 90
73500Mesecke, 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 CIFC422 H299 B11.5 F47 N72 O27.75 Zn8P 1 21/c 127.5152; 48.566; 55.058
90; 91.649; 90
73544Li, 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 CIFC264 H216 N24 O156 Zn24F m -3 m42.005; 42.005; 42.005
90; 90; 90
74114Zou, 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 CIFC24 H20 Cu6 I4 N4 O10R -3 c :H49.2699; 49.2699; 35.3426
90; 90; 120
74301Liu, 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

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