Crystallography Open Database

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4118168 CIFC2 F O2 PbI 4/m4.1371; 4.1371; 21.477
90; 90; 90
367.59Honghan Fei; Catherine H. Pham; Scott R. J. Oliver
Anion Exchange of the Cationic Layered Material [Pb2F2]2+
Journal of the American Chemical Society, 2012, 134, 10729-10732
4118169 CIFC5 H6 F2 O4 Pb2I 4/m4.116; 4.116; 24.003
90; 90; 90
406.6Honghan Fei; Catherine H. Pham; Scott R. J. Oliver
Anion Exchange of the Cationic Layered Material [Pb2F2]2+
Journal of the American Chemical Society, 2012, 134, 10729-10732
4119081 CIFC28 H48 Cl2 Mo2 N12I 4/m9.9752; 9.9752; 15.8828
90; 90; 90
1580.41Chisholm, Malcolm H.; Gallucci, Judith; Hadad, Christopher M.; Huffman, John C.; Wilson, Paul J.
M2(hpp)4Cl2and M2(hpp)4, Where M = Mo and W: Preparations, Structure and Bonding, and Comparisons with C2, C2H2, and C2Cl2and the Hypothetical Molecules M2(hpp)4(H)2†
Journal of the American Chemical Society, 2003, 125, 16040-16049
4120993 CIF
HKL
C208 H198 Cl18 O112 U38I 4/m21.9986; 21.9986; 29.9603
90; 90; 90
14498.9Clément Falaise; Christophe Volkringer; Jean-François Vigier; Arnaud Beaurain; Pascal Roussel; Pierre Rabu; Thierry Loiseau
Isolation of the Large {Actinide}38 Poly-oxo Cluster with Uranium
Journal of the American Chemical Society, 2013, 135, 15678-15681
4121465 CIFC62 H36 O36 Zr6I 4/m14.6766; 14.6766; 28.0033
90; 90; 90
6032Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao; Jiang, Juncong; Queen, Wendy L.; Hudson, Matthew R.; Yaghi, Omar M.
Water adsorption in porous metal-organic frameworks and related materials.
Journal of the American Chemical Society, 2014, 136, 4369-4381
4121782 CIFC360 H372 Co24 O126 S24I 4/m29.335; 29.335; 41.358
90; 90; 90
35590Dai, 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
4121783 CIFC432 H516 Ni24 O126 S24I 4/m29.2376; 29.2376; 42.213
90; 90; 90
36085Dai, 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
4121785 CIFC336 H324 Co24 O126 S24I 4/m28.618; 28.618; 41.216
90; 90; 90
33755Dai, 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
4121786 CIFC432 H516 Mg24 O126 S24I 4/m29.6397; 29.6397; 42.389
90; 90; 90
37239Dai, 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
4121787 CIFC360 H372 Ni24 O126 S24I 4/m29.335; 29.335; 41.486
90; 90; 90
35700Dai, 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
4121788 CIFC432 H516 Co24 O126 S24I 4/m29.5252; 29.5252; 42.576
90; 90; 90
37115Dai, 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
4122973 CIFC168 H104 Mo8 N24 O56I 4/m34.623; 34.623; 16.4266
90; 90; 90
19691Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai
Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing "Codes" of Bridging Ligands and Metathesis of Metal Units.
Journal of the American Chemical Society, 2014, 141120112955009
4122977 CIFC252 H156 Mo12 N36 O80I 4/m31.22; 31.22; 24.656
90; 90; 90
24032Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai
Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing "Codes" of Bridging Ligands and Metathesis of Metal Units.
Journal of the American Chemical Society, 2014, 141120112955009
4122978 CIFC252 H156 Cu5.6 Mo6.4 N36 O78I 4/m31.22; 31.22; 25.05
90; 90; 90
24416Park, Jinhee; Chen, Ying-Pin; Perry, Zachary; Li, Jian-Rong; Zhou, Hong-Cai
Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing "Codes" of Bridging Ligands and Metathesis of Metal Units.
Journal of the American Chemical Society, 2014, 141120112955009
4123147 CIFC136 H936 Cl24 Nd104 O692I 4/m32.764; 32.764; 32.257
90; 90; 90
34627Peng, Jun-Bo; Kong, Xiang-Jian; Zhang, Qian-Chong; Orendáč, Martin; Prokleška, Jan; Ren, Yan-Ping; Long, La-Sheng; Zheng, Zhiping; Zheng, Lan-Sun
Beauty, Symmetry, and Magnetocaloric Effect-Four-Shell Keplerates with 104 Lanthanide Atoms.
Journal of the American Chemical Society, 2014, 141218121523002
4123922 CIFH18 Hg22 Mg N6I 4/m7.556; 7.556; 27.257
90; 90; 90
1556.19Hwang, I.-C.; Drews, T.; Seppelt, K.
Mg (N H3)6 Hg22, a mercury intercalation compound
Journal of the American Chemical Society, 2000, 122, 8486-8489
4124191 CIFC123 H199 Cu6 N27 O50I 4/m26.1284; 26.1284; 34.1663
90; 90; 90
23325.1Vukotic, V. Nicholas; O'Keefe, Christopher A; Zhu, Kelong; Harris, Kristopher J.; To, Christine; Schurko, Robert W.; Loeb, Stephen J.
Mechanically Interlocked Linkers inside Metal-Organic Frameworks: Effect of Ring Size on Rotational Dynamics.
Journal of the American Chemical Society, 2015, 150723135020006
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
4125163 CIFC192 Cu24 O144I 4/m27.401; 27.401; 35.409
90; 90; 90
26586Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.
Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.
Journal of the American Chemical Society, 2016, 138, 9646-9654
4125168 CIFC200 Cu24 O145I 4/m27.571; 27.571; 35.456
90; 90; 90
26952Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M.
Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra.
Journal of the American Chemical Society, 2016, 138, 9646-9654
4125671 CIFC59 H93 I N29 O25.5I 4/m28.832; 28.832; 18.2998
90; 90; 90
15212.3Sigwalt, 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
4126257 CIFC48 H28 N4 O10 Pd Zn2I 4/m16.654; 16.654; 19.604
90; 90; 90
5437Ding, Yanjun; Chen, Ying-Pin; Zhang, Xinlei; Chen, Liang; Dong, Zhaohui; Jiang, Hai-Long; Xu, Hangxun; Zhou, Hong-Cai
Controlled Intercalation and Chemical Exfoliation of Layered Metal-Organic Frameworks Using a Chemically Labile Intercalating Agent.
Journal of the American Chemical Society, 2017
4126371 CIFC40 H20 Cu9 N20 O24 Zn6I 4/m30.22; 30.22; 34.323
90; 90; 90
31345Tu, 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
4127019 CIFC52 H100 Ag14 B60 N8 S12I 4/m15.7244; 15.7244; 21.469
90; 90; 90
5308.36Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.
Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.
Journal of the American Chemical Society, 2018
4127025 CIFC24 H44 Cl4 Cu2 N8 O36 Zr3I 4/m16.721; 16.721; 19.704
90; 90; 90
5509Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.
A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.
Journal of the American Chemical Society, 2017
4127029 CIFC24 H44 Cl4 N8 Ni2 O32 Zr3I 4/m16.51; 16.51; 19.811
90; 90; 90
5400.1Zhu, Jie; Usov, Pavel M.; Xu, Wenqian; Celis-Salazar, Paula J; Lin, Shaoyang; Kessinger, Matthew C.; Landaverde-Alvarado, Carlos; Cai, Meng; May, Ann M.; Slebodnick, Carla; Zhu, Dunru; Senanayake, Sanjaya D.; Morris, Amanda J.
A New Class of Metal-Cyclam based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation.
Journal of the American Chemical Society, 2017
4127750 CIFC0 H0 K26.92 O159 P0 U24I 4/m19.6881; 19.6881; 19.0607
90; 90; 90
7388.3Xu, Mengyu; Traustason, Hrafn; Bo, Fabrice Dal; Hickam, Sarah; Chong, Saehwa; Zhang, Lei; Oliver, Allen G.; Burns, Peter C.
Supramolecular Assembly of Geometrically Unstable Hybrid Organic-Inorganic Uranyl Peroxide Cage Clusters and Their Transformations.
Journal of the American Chemical Society, 2019, 141, 12780-12788
4127978 CIFCl24.02 H96 O168.11 Zr12I 4/m16.7157; 16.7157; 27.2185
90; 90; 90
7605.2Sommers, James A.; Hutchison, Danielle C.; Martin, Nicolas P.; Kozma, Karoly; Keszler, Douglas A.; Nyman, May
Peroxide-Promoted Disassembly Reassembly of Zr-Polyoxocations.
Journal of the American Chemical Society, 2019, 141, 16894-16902
4128512 CIFC272 H252 N20 O152 Rh24I 4/m31.08; 31.08; 31.25
90; 90; 90
30186Carné-Sánchez, Arnau; Albalad, Jorge; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Larpent, Patrick; Furukawa, Shuhei; Maspoch, Daniel
Postsynthetic Covalent and Coordination Functionalization of Rhodium(II)-Based Metal-Organic Polyhedra.
Journal of the American Chemical Society, 2019, 141, 4094-4102
4129073 CIFC63 H36 N6 O33 Rh6I 4/m29.44; 29.44; 41.56
90; 90; 90
36021Grancha, Thais; Carne-Sanchez, Arnau; Hernández-López, Laura; Albalad, Jorge; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel
Phase Transfer of Rhodium(II)-Based Metal-Organic Polyhedra Bearing Coordinatively-Bound Cargo Enables Molecular Separation.
Journal of the American Chemical Society, 2019
4129838 CIFC407 H569 Cu24 N50 O201I 4/m26.5211; 26.5211; 39.0679
90; 90; 90
27479.1Niu, Zheng; Fang, Sheng; Liu, Xiao; Ma, Jian-Gong; Ma, Shengqian; Cheng, Peng
Coordination-Driven Polymerization of Supramolecular Nanocages.
Journal of the American Chemical Society, 2015, 137, 14873-14876
4132186 CIFC72 Cu3 N12 O36 Zr6I 4/m15.7186; 15.7186; 29.22
90; 90; 90
7219.5Muldoon, Patrick F.; Liu, Chong; Miller, Carson C.; Koby, S. Benjamin; Gamble Jarvi, Austin; Luo, Tian-Yi; Saxena, Sunil; O'Keeffe, Michael; Rosi, Nathaniel L.
Programmable Topology in New Families of Heterobimetallic Metal-Organic Frameworks.
Journal of the American Chemical Society, 2018, 140, 6194-6198
4133005 CIFC187 H633 Br12 Gd60 N15 O399I 4/m26.4448; 26.4448; 34.036
90; 90; 90
23802Luo, Xi-Ming; Hu, Zhao-Bo; Lin, Qing-Fang; Cheng, Weiwei; Cao, Jia-Peng; Cui, Chen-Hui; Mei, Hua; Song, You; Xu, Yan
Exploring the Performance Improvement of Magnetocaloric Effect Based Gd-Exclusive Cluster Gd<sub>60</sub>.
Journal of the American Chemical Society, 2018, 140, 11219-11222
4134108 CIFC10 H36 Br10 N4 Sn3I 4/m5.9165; 5.9165; 51.658
90; 90; 90
1808.3Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua
A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.
Journal of the American Chemical Society, 2020, 142, 1159-1163
4300878 CIFC45 H30 N4 O2 RuI 4/m13.558; 13.558; 9.6846
90; 90; 90
1780.2Emma Gallo; Alessandro Caselli; Fabio Ragaini; Simone Fantauzzi; Norberto Masciocchi; Angelo Sironi; Sergio Cenini
Structural Determination of Ruthenium-Porphyrin Complexes Relevant to Catalytic Epoxidation of Olefins
Inorganic Chemistry, 2005, 44, 2039-2049
4301303 CIFC44 H28 Fe N5 OI 4/m13.4152; 13.4152; 9.7151
90; 90; 90
1748.4Nathan J. Silvernail; Marilyn M. Olmstead; Bruce C. Noll
Tetragonal to Triclinic-A Phase Change for [Fe(TPP)(NO)]
Inorganic Chemistry, 2009, 48, 971-977
4301304 CIFC44 H28 Fe N5 OI 4/m13.4466; 13.4466; 9.7498
90; 90; 90
1762.87Nathan J. Silvernail; Marilyn M. Olmstead; Bruce C. Noll
Tetragonal to Triclinic-A Phase Change for [Fe(TPP)(NO)]
Inorganic Chemistry, 2009, 48, 971-977
4301305 CIFC44 H28 Fe N5 OI 4/m13.4748; 13.4748; 9.7686
90; 90; 90
1773.7Nathan J. Silvernail; Marilyn M. Olmstead; Bruce C. Noll
Tetragonal to Triclinic-A Phase Change for [Fe(TPP)(NO)]
Inorganic Chemistry, 2009, 48, 971-977
4301306 CIFC44 H28 Fe N5 O1.04I 4/m13.4502; 13.4502; 9.7533
90; 90; 90
1764.45Nathan J. Silvernail; Marilyn M. Olmstead; Bruce C. Noll
Tetragonal to Triclinic-A Phase Change for [Fe(TPP)(NO)]
Inorganic Chemistry, 2009, 48, 971-977
4302969 CIFC48 H88 As8 Na6 O56 Pd13I 4/m15.9515; 15.9515; 25.1154
90; 90; 90
6390.6Natalya V. Izarova; Michael H. Dickman; Rosa Ngo Biboum; Bineta Keita; Louis Nadjo; Vasanth Ramachandran; Naresh S. Dalal; Ulrich Kortz
Heteropoly-13-Palladates(II) [PdII13(AsVPh)8O32]6- and [PdII13SeIV8O32]6-
Inorganic Chemistry, 2009, 48, 7504-7506
4303091 CIFC65.5 H74 Mo N2.25 O3I 4/m20.7048; 20.7048; 19.9285
90; 90; 90
8543.1Treffly B. Ditri; Brian J. Fox; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa
Effective Control of Ligation and Geometric Isomerism: Direct Comparison of Steric Properties Associated with Bis-mesityl and Bis-diisopropylphenyl m-Terphenyl Isocyanides
Inorganic Chemistry, 2009, 48, 8362-8375
4303850 CIFCu20 H148 I K12 Li13 O270 P8 W48I 4/m26.9335; 26.9335; 21.0993
90; 90; 90
15305.7Sib Sankar Mal; Bassem S. Bassil; Masooma Ibrahim; Saritha Nellutla; Johan van Tol; Naresh S. Dalal; Jorge A. Fernández; Xavier López; Josep M. Poblet; Rosa Ngo Biboum; Bineta Keita; Ulrich Kortz
Wheel-Shaped Cu20-Tungstophosphate [Cu20X(OH)24(H2O)12(P8W48O184)]25- Ion (X = Cl, Br, I) and the Role of the Halide Guest
Inorganic Chemistry, 2009, 48, 11636-11645
4303995 CIFBa4 Fe2 I5 S4I 4/m13.7583; 13.7583; 5.1261
90; 90; 90
970.32Danielle L. Gray; Gary J. Long; Fernande Grandjean; Raphaël P. Hermann; James A. Ibers
Syntheses, Structure, and a Mössbauer and Magnetic Study of Ba4Fe2I5S4
Inorganic Chemistry, 2008, 47, 94-100
4305250 CIFC18 H24 Ag F6 N4 SbI 4/m11.2163; 11.2163; 18.286
90; 90; 90
2300.5Emerson D. Genuis; Joel A. Kelly; Malay Patel; Robert McDonald; Michael J. Ferguson; Grace Greidanus-Strom
Coordination Polymers from the Self-Assembly of Silver(I) Salts and Two Nonlinear Aliphatic Dinitrile Ligands, cis-1,3-Cyclopentanedicarbonitrile and cis-1,3-Bis(cyanomethyl)cyclopentane: Synthesis, Structures, and Photoluminescent Properties
Inorganic Chemistry, 2008, 47, 6184-6194
4305431 CIFC29.1 H40.4 Cu F15 N5 O5.1 Sb2 Si0.5I 4/m16.9501; 16.9501; 15.3669
90; 90; 90
4415Junhua Jia; Alexander J. Blake; Neil R. Champness; Peter Hubberstey; Claire Wilson; Martin Schröder
Multi-Dimensional Transition-Metal Coordination Polymers of 4,4'-Bipyridine-N,N'-dioxide: 1D Chains and 2D Sheets
Inorganic Chemistry, 2008, 47, 8652-8664
4306837 CIFC89 H112 Cl2 Fe Mn4 N15 O25I 4/m18.805; 18.805; 27.473
90; 90; 90
9715Wei-Wei Ni; Zhong-Hai Ni; Ai-Li Cui; Xin Liang; Hui-Zhong Kou
Cyanide-Bridged Mn(III)-Fe(III) Bimetallic Complexes Based on the Pentacyano(1-methylimidazole)ferrate(III) Building Block: Structure and Magnetic Characterizations
Inorganic Chemistry, 2007, 46, 22-33
4308145 CIFC24 H112 Fe4 K4 N8 O100 Si2 W20I 4/m37.43; 37.43; 19.6822
90; 90; 90
27575Bogdan Botar; Paul Kögerler; Craig L. Hill
Tetrairon and Hexairon Hydroxo/Acetato Clusters Stabilized by Multiple Polyoxometalate Scaffolds. Structures, Magnetic Properties, and Chemistry of a Dimer and a Trimer
Inorganic Chemistry, 2007, 46, 5398-5403
4308251 CIFCu20 K12 N18 Na8 O237.25 P8 W48I 4/m25.7938; 25.7938; 22.0081
90; 90; 90
14642.4Céline Pichon; Pierre Mialane; Anne Dolbecq; Jérôme Marrot; Eric Rivière; Bineta Keita; Louis Nadjo; Francis Sécheresse
Characterization and Electrochemical Properties of Molecular Icosanuclear and Bidimensional Hexanuclear Cu(II) Azido Polyoxometalates
Inorganic Chemistry, 2007, 46, 5292-5301
4308524 CIFC36 H116 Cl0.5 Cu16 N57.5 Nd6 O106.5I 4/m20.462; 20.462; 18.9592
90; 90; 90
7938.1Feng He; Ming-Liang Tong; Xiao-Lan Yu; Xiao-Ming Chen
Controlled Aggregation of Heterometallic Nanoscale Cu12Ln6 Clusters (Ln = GdIII or NdIII) into 2D Coordination Polymers
Inorganic Chemistry, 2005, 44, 559-565
4308525 CIFC36 H116 Cl0.5 Cu16 Gd6 N57.5 O106.5I 4/m20.3962; 20.3962; 18.8438
90; 90; 90
7839.1Feng He; Ming-Liang Tong; Xiao-Lan Yu; Xiao-Ming Chen
Controlled Aggregation of Heterometallic Nanoscale Cu12Ln6 Clusters (Ln = GdIII or NdIII) into 2D Coordination Polymers
Inorganic Chemistry, 2005, 44, 559-565

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