Crystallography Open Database

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Searching journal of publication like 'Journal of the American Chemical Society' volume of publication is 133

COD ID: 4101604
CIF file Formula: - C20 H8 S3 -
Comments: Jiang, Wei; Zhou, Yan; Geng, Hua; Jiang, Shidong; Yan, Shouke; Hu, Wenping; Wang, Zhaohui; Shuai, Zhigang; Pei, Jian Solution-Processed, High-Performance Nanoribbon Transistors Based on Dithioperylene Journal of the American Chemical Society 133(1) (2011) 1-3
Space group: P 1 21/c 1
Cell volume: 1412.4
Cell parameters: 10.017; 12.087; 12.384; 90; 109.61; 90;  

COD ID: 4101605
CIF file Formula: - C20 H8 S2 -
Comments: Jiang, Wei; Zhou, Yan; Geng, Hua; Jiang, Shidong; Yan, Shouke; Hu, Wenping; Wang, Zhaohui; Shuai, Zhigang; Pei, Jian Solution-Processed, High-Performance Nanoribbon Transistors Based on Dithioperylene Journal of the American Chemical Society 133(1) (2011) 1-3
Space group: P 1 21/n 1
Cell volume: 645
Cell parameters: 9.6585; 4.3731; 15.436; 90; 98.37; 90;  

COD ID: 4101606
CIF file Formula: - C30 H34 O8 -
Comments: Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J. Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange. Journal of the American Chemical Society 133(1) (2011) 18-20
Space group: P 1 21 1
Cell volume: 1343.58
Cell parameters: 10.9098; 11.9108; 11.298; 90; 113.769; 90;  

COD ID: 4101607
CIF file Formula: - C7 H7 I O2 -
Comments: Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J. Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange. Journal of the American Chemical Society 133(1) (2011) 18-20
Space group: P 1 21 1
Cell volume: 383.854
Cell parameters: 7.588; 5.816; 8.8911; 90; 101.966; 90;  

COD ID: 4101608
CIF file Formula: - C32 H34 O8 -
Comments: Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J. Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange. Journal of the American Chemical Society 133(1) (2011) 18-20
Space group: P 21 21 21
Cell volume: 5648.3
Cell parameters: 8.0008; 19.2436; 36.6855; 90; 90; 90;  

COD ID: 4101609
CIF file Formula: - C17 H18 Cl2 O4 -
Comments: Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J. Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange. Journal of the American Chemical Society 133(1) (2011) 18-20
Space group: P 21 21 21
Cell volume: 1734.65
Cell parameters: 8.1103; 12.5967; 16.9792; 90; 90; 90;  

COD ID: 4101610
CIF file Formula: - C22 H20 O -
Comments: Kondo, Masataka; Kochi, Takuya; Kakiuchi, Fumitoshi Rhodium-catalyzed anti-Markovnikov intermolecular hydroalkoxylation of terminal acetylenes. Journal of the American Chemical Society 133(1) (2011) 32-34
Space group: P -1
Cell volume: 808
Cell parameters: 8.96; 9.118; 11.358; 78.117; 85.055; 62.857;  

COD ID: 4101611
CIF file Formula: - C338 H258 N8 Ni2 O16 -
Comments: Davis, Nicola K. S.; Thompson, Amber L.; Anderson, Harry L. A porphyrin fused to four anthracenes. Journal of the American Chemical Society 133(1) (2011) 30-31
Space group: P 1 21/n 1
Cell volume: 28951
Cell parameters: 23.73; 51.137; 23.859; 90; 90.629; 90;  

COD ID: 4101612
CIF file Formula: - C12 H12 O S2 -
Comments: Fujisaki, Junichi; Matsumoto, Kenji; Matsumoto, Kazuhiro; Katsuki, Tsutomu Catalytic asymmetric oxidation of cyclic dithioacetals: highly diastereo- and enantioselective synthesis of the S-oxides by a chiral aluminum(salalen) complex Journal of the American Chemical Society 133(1) (2011) 56-61
Space group: P 1 21 1
Cell volume: 1128.6
Cell parameters: 13.2896; 5.7582; 15.3496; 90; 106.088; 90;  

COD ID: 4101613
CIF file Formula: - C16 H20 I N O -
Comments: Guthrie, David B.; Geib, Steven J.; Curran, Dennis P. Radical and Heck cyclizations of diastereomeric o-haloanilide atropisomers. Journal of the American Chemical Society 133(1) (2011) 115-122
Space group: P -1
Cell volume: 1618.13
Cell parameters: 9.0294; 9.6581; 19.4301; 79.283; 79.355; 79.77;  

COD ID: 4101614
CIF file Formula: - C16 H20 I N O -
Comments: Guthrie, David B.; Geib, Steven J.; Curran, Dennis P. Radical and Heck cyclizations of diastereomeric o-haloanilide atropisomers. Journal of the American Chemical Society 133(1) (2011) 115-122
Space group: P -1
Cell volume: 1617.72
Cell parameters: 9.3192; 9.4812; 19.0469; 98.053; 96.624; 101.069;  

COD ID: 4101615
CIF file Formula: - C16 H18 I N O3 -
Comments: Guthrie, David B.; Geib, Steven J.; Curran, Dennis P. Radical and Heck cyclizations of diastereomeric o-haloanilide atropisomers. Journal of the American Chemical Society 133(1) (2011) 115-122
Space group: P 1 21/c 1
Cell volume: 1590.1
Cell parameters: 9.7112; 11.6237; 14.127; 90; 94.332; 90;  

COD ID: 4101616
CIF file Formula: - C29.66 H10 B Cl4 N10.33 Re -
Comments: Harris, T. David; Coulon, Claude; Clérac, Rodolphe; Long, Jeffrey R. Record ferromagnetic exchange through cyanide and elucidation of the magnetic phase diagram for a Cu(II)Re(IV)(CN)2 chain compound. Journal of the American Chemical Society 133(1) (2011) 123-130
Space group: P 1 21/c 1
Cell volume: 4136.4
Cell parameters: 11.4534; 16.2945; 22.1655; 90; 90.677; 90;  

COD ID: 4101617
CIF file Formula: - C38 H10 Cl3 Co F15 N4 -
Comments: Dogutan, Dilek K.; Stoian, Sebastian A.; McGuire, Jr, Robert; Schwalbe, Matthias; Teets, Thomas S.; Nocera, Daniel G. Hangman corroles: efficient synthesis and oxygen reaction chemistry. Journal of the American Chemical Society 133(1) (2011) 131-140
Space group: P 1 21/c 1
Cell volume: 3503.3
Cell parameters: 14.185; 22.009; 12.008; 90; 110.853; 90;  

COD ID: 4101618
CIF file Formula: - C70 H81 N4 O3 -
Comments: Dogutan, Dilek K.; Stoian, Sebastian A.; McGuire, Jr, Robert; Schwalbe, Matthias; Teets, Thomas S.; Nocera, Daniel G. Hangman corroles: efficient synthesis and oxygen reaction chemistry. Journal of the American Chemical Society 133(1) (2011) 131-140
Space group: P -1
Cell volume: 2859.03
Cell parameters: 12.5672; 14.0364; 18.2951; 68.058; 87.816; 73.334;  

COD ID: 4101619
CIF file Formula: - C61 H54 F10 N4 O3 -
Comments: Dogutan, Dilek K.; Stoian, Sebastian A.; McGuire, Jr, Robert; Schwalbe, Matthias; Teets, Thomas S.; Nocera, Daniel G. Hangman corroles: efficient synthesis and oxygen reaction chemistry. Journal of the American Chemical Society 133(1) (2011) 131-140
Space group: P -1
Cell volume: 2573.31
Cell parameters: 8.517; 17.212; 19.8004; 111.439; 96.92; 102.502;  

COD ID: 4105515
CIF file Formula: - C231 H215 N27 Na Nd17 Se34 -
Comments: Brian F. Moore; G. Ajith Kumar; Mei-Chee Tan; Jesse Kohl; Richard E. Riman; Mikhail G. Brik; Thomas J. Emge; John G. Brennan Lanthanide Clusters with Chalcogen Encapsulated Ln: NIR Emission from Nanoscale NdSex Journal of the American Chemical Society 133 (2011) 373-378
Space group: C 1 2/c 1
Cell volume: 27741
Cell parameters: 22.4939; 41.963; 30.9247; 90; 108.129; 90;  

COD ID: 4105516
CIF file Formula: - C231 H215 Ce17 N27 Na Se34 -
Comments: Brian F. Moore; G. Ajith Kumar; Mei-Chee Tan; Jesse Kohl; Richard E. Riman; Mikhail G. Brik; Thomas J. Emge; John G. Brennan Lanthanide Clusters with Chalcogen Encapsulated Ln: NIR Emission from Nanoscale NdSex Journal of the American Chemical Society 133 (2011) 373-378
Space group: C 1 2/c 1
Cell volume: 28019
Cell parameters: 22.5455; 42.056; 31.0886; 90; 108.099; 90;  

COD ID: 4105517
CIF file Formula: - C28 H31 B F2 N4 -
Comments: Theodore Lazarides; Theresa M. McCormick; Kristina C. Wilson; Soohyun Lee; David W. McCamant; Richard Eisenberg Sensitizing the Sensitizer: The Synthesis and Photophysical Study of Bodipy-Pt(II)(diimine)(dithiolate) Conjugates Journal of the American Chemical Society 133 (2011) 350-364
Space group: P -1
Cell volume: 1263.07
Cell parameters: 10.8106; 10.8904; 11.0467; 85.761; 76.874; 89.456;  

COD ID: 4105518
CIF file Formula: - C34.5 H36 B Cl F2 N4 Pt S2 -
Comments: Theodore Lazarides; Theresa M. McCormick; Kristina C. Wilson; Soohyun Lee; David W. McCamant; Richard Eisenberg Sensitizing the Sensitizer: The Synthesis and Photophysical Study of Bodipy-Pt(II)(diimine)(dithiolate) Conjugates Journal of the American Chemical Society 133 (2011) 350-364
Space group: C 1 2/c 1
Cell volume: 6513.7
Cell parameters: 37.713; 7.6858; 22.7719; 90; 99.304; 90;  

COD ID: 4105519
CIF file Formula: - C24 H28 N2 Pt S2 -
Comments: Theodore Lazarides; Theresa M. McCormick; Kristina C. Wilson; Soohyun Lee; David W. McCamant; Richard Eisenberg Sensitizing the Sensitizer: The Synthesis and Photophysical Study of Bodipy-Pt(II)(diimine)(dithiolate) Conjugates Journal of the American Chemical Society 133 (2011) 350-364
Space group: P 1 21/c 1
Cell volume: 2264.5
Cell parameters: 15.0469; 11.4513; 13.4908; 90; 103.051; 90;  

COD ID: 4105520
CIF file Formula: - C68 H82 Ge2 -
Comments: Owen T. Summerscales; J. Oscar C. Jiménez-Halla; Gabriel Merino; Philip P. Power Unusual Electrocyclic Rearrangements with Group 14 Element Compounds: Reversible Isomerization of a π-Aromatic Digermyl Complex with Carbon-Carbon and Germanium-Germanium Multiple Bond Cleavage Journal of the American Chemical Society 133 (2011) 180-183
Space group: I 1 2/a 1
Cell volume: 5690.9
Cell parameters: 19.3366; 11.8007; 25.3005; 90; 99.686; 90;  

COD ID: 4105521
CIF file Formula: - C72 H92 Ge2 O -
Comments: Owen T. Summerscales; J. Oscar C. Jiménez-Halla; Gabriel Merino; Philip P. Power Unusual Electrocyclic Rearrangements with Group 14 Element Compounds: Reversible Isomerization of a π-Aromatic Digermyl Complex with Carbon-Carbon and Germanium-Germanium Multiple Bond Cleavage Journal of the American Chemical Society 133 (2011) 180-183
Space group: P 1 21/n 1
Cell volume: 5941.6
Cell parameters: 13.0753; 34.0196; 13.3778; 90; 93.156; 90;  

COD ID: 4105522
CIF file Formula: - C33 H43.5 N7 Na O51.5 P Re W12 -
Comments: Jessica Ettedgui; Yael Diskin-Posner; Lev Weiner; Ronny Neumann Photoreduction of Carbon Dioxide to Carbon Monoxide with Hydrogen Catalyzed by a Rhenium(I) Phenanthroline-Polyoxometalate Hybrid Complex Journal of the American Chemical Society 133 (2011) 188-190
Space group: P -1
Cell volume: 3540.49
Cell parameters: 12.3808; 12.7008; 23.8421; 92.965; 97.411; 106.948;  

COD ID: 4105523
CIF file Formula: - C20 H32 O6 -
Comments: K. C. Nicolaou; Jae Hong Seo; Tsuyoshi Nakamura; Robert J. Aversa Synthesis of the C'D'E'F' Domain of Maitotoxin Journal of the American Chemical Society 133 (2011) 214-219
Space group: P 1 21 1
Cell volume: 973.3
Cell parameters: 10.49; 6.2315; 14.9; 90; 92.2; 90;  

COD ID: 4105524
CIF file Formula: - C16 H13 N O -
Comments: Israel Cano; Eleuterio Álvarez; M. Carmen Nicasio; Pedro J. Pérez Regioselective Formation of 2,5-Disubstituted Oxazoles Via Copper(I)-Catalyzed Cycloaddition of Acyl Azides and 1-Alkynes Journal of the American Chemical Society 133 (2011) 191-193
Space group: P 21 21 21
Cell volume: 1236
Cell parameters: 5.8955; 7.4844; 28.011; 90; 90; 90;  

COD ID: 4105525
CIF file Formula: - C23 H15 N O -
Comments: Israel Cano; Eleuterio Álvarez; M. Carmen Nicasio; Pedro J. Pérez Regioselective Formation of 2,5-Disubstituted Oxazoles Via Copper(I)-Catalyzed Cycloaddition of Acyl Azides and 1-Alkynes Journal of the American Chemical Society 133 (2011) 191-193
Space group: P 1 21/c 1
Cell volume: 1694.4
Cell parameters: 14.772; 6.001; 19.196; 90; 95.31; 90;  

COD ID: 4105526
CIF file Formula: - C154 H147 F48 N13 O16 P8 -
Comments: Lei Fang; Subhadeep Basu; Chi-Hau Sue; Albert C. Fahrenbach; J. Fraser Stoddart Syntheses and Dynamics of Donor-Acceptor [2]Catenanes in Water Journal of the American Chemical Society 133 (2011) 396-399
Space group: P -1
Cell volume: 4024.46
Cell parameters: 13.7023; 14.0842; 23.0481; 84.632; 76.883; 68.292;  

COD ID: 4105527
CIF file Formula: - C80 H78 F12 N10 O14 -
Comments: Lei Fang; Subhadeep Basu; Chi-Hau Sue; Albert C. Fahrenbach; J. Fraser Stoddart Syntheses and Dynamics of Donor-Acceptor [2]Catenanes in Water Journal of the American Chemical Society 133 (2011) 396-399
Space group: P -1
Cell volume: 3841.7
Cell parameters: 13.7694; 14.0822; 21.339; 82.096; 88.638; 69.667;  

COD ID: 4105528
CIF file Formula: - C32 H43 N O4 Si -
Comments: Christian C. Ventocilla; K. A. Woerpel Silylene-Mediated Polarity Reversal of Dienoates: Additions of Dienoates to Aldehydes at the δ-Position To Form trans-Dioxasilacyclononenes Journal of the American Chemical Society 133 (2011) 406-408
Space group: P 1
Cell volume: 1489.5
Cell parameters: 9.0489; 11.8543; 14.1652; 96.5484; 99.1573; 90.8419;  

COD ID: 4105529
CIF file Formula: - C24 H38 O3 Si -
Comments: Christian C. Ventocilla; K. A. Woerpel Silylene-Mediated Polarity Reversal of Dienoates: Additions of Dienoates to Aldehydes at the δ-Position To Form trans-Dioxasilacyclononenes Journal of the American Chemical Society 133 (2011) 406-408
Space group: P -1
Cell volume: 1175.76
Cell parameters: 9.5046; 10.9462; 11.6723; 76.749; 84.122; 88.032;  

COD ID: 4105530
CIF file Formula: - C38 H42 B2 O4 -
Comments: Yi Liu; Chunmei Deng; Li Tang; Anjun Qin; Rongrong Hu; Jing Zhi Sun; Ben Zhong Tang Specific Detection of d-Glucose by a Tetraphenylethene-Based Fluorescent Sensor Journal of the American Chemical Society 133 (2011) 660-663
Space group: P -1
Cell volume: 1704.7
Cell parameters: 11.0642; 11.6068; 15.0911; 106.687; 97.085; 108.966;  

COD ID: 4105531
CIF file Formula: - C588 H509 B32 F128 N150 O11 Zn16 -
Comments: 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 133 (2011) 858-870
Space group: C 1 2/c 1
Cell volume: 77513
Cell parameters: 31.117; 51.828; 48.797; 90; 99.95; 90;  

COD ID: 4105532
CIF file Formula: - C216 H180 B12 Cu6 F48 N54 -
Comments: 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 133 (2011) 858-870
Space group: I b a 2
Cell volume: 53802
Cell parameters: 31.7261; 56.9758; 29.7638; 90; 90; 90;  

COD ID: 4105533
CIF file Formula: - C306 H294 B12 F60 N90 Ni8 O36 Si2 -
Comments: 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 133 (2011) 858-870
Space group: R -3 c :H
Cell volume: 58098.4
Cell parameters: 26.0607; 26.0607; 98.7782; 90; 90; 120;  

COD ID: 4105534
CIF file Formula: - C35 H30 Cl4 N2 O2 P2 Pt -
Comments: Urs Gellrich; Jing Huang; Wolfgang Seiche; Manfred Keller; Markus Meuwly; Bernhard Breit Ligand Self-Assembling through Complementary Hydrogen-Bonding in the Coordination Sphere of a Transition Metal Center: The 6-Diphenylphosphanylpyridin-2(1H)-one System Journal of the American Chemical Society 133 (2011) 964-975
Space group: P 1 21/a 1
Cell volume: 3421.03
Cell parameters: 16.8292; 11.1616; 18.6043; 90; 101.781; 90;  

COD ID: 4105535
CIF file Formula: - C17 H14 N O P -
Comments: Urs Gellrich; Jing Huang; Wolfgang Seiche; Manfred Keller; Markus Meuwly; Bernhard Breit Ligand Self-Assembling through Complementary Hydrogen-Bonding in the Coordination Sphere of a Transition Metal Center: The 6-Diphenylphosphanylpyridin-2(1H)-one System Journal of the American Chemical Society 133 (2011) 964-975
Space group: P -1
Cell volume: 707.53
Cell parameters: 8.4262; 9.0456; 10.2473; 70.43; 75.028; 79.883;  

COD ID: 4105536
CIF file Formula: - C20 H4 F24 O8 Pb Zn -
Comments: Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides Journal of the American Chemical Society 133 (2011) 692-694
Space group: P 1 21/c 1
Cell volume: 6036.4
Cell parameters: 18.398; 14.4711; 23.748; 90; 107.307; 90;  

COD ID: 4105537
CIF file Formula: - C20 H4 F24 Ni O8 Pb -
Comments: Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides Journal of the American Chemical Society 133 (2011) 692-694
Space group: C 1 2/c 1
Cell volume: 3162.4
Cell parameters: 18.4611; 12.6354; 13.6823; 90; 97.755; 90;  

COD ID: 4105538
CIF file Formula: - C20 H4 Co F24 O8 Pb -
Comments: Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides Journal of the American Chemical Society 133 (2011) 692-694
Space group: C 1 2/c 1
Cell volume: 3136
Cell parameters: 11.443; 22.897; 12.674; 90; 109.2; 90;  

COD ID: 4105539
CIF file Formula: - C20 H4 F24 Fe O8 Pb -
Comments: Anantharamulu Navulla; Alexander A. Tsirlin; Artem M. Abakumov; Roman V. Shpanchenko; Haitao Zhang; Evgeny V. Dikarev Fluorinated Heterometallic β-Diketonates as Volatile Single-Source Precursors for the Synthesis of Low-Valent Mixed-Metal Fluorides Journal of the American Chemical Society 133 (2011) 692-694
Space group: P -1
Cell volume: 1523.87
Cell parameters: 11.4406; 12.3702; 13.582; 65.896; 66.64; 64.316;  

COD ID: 4105540
CIF file Formula: - C5 H9 F N2 O3 -
Comments: Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors Journal of the American Chemical Society 133 (2011) 1122-1133
Space group: P 21 21 21
Cell volume: 743.2
Cell parameters: 4.999; 9.208; 16.145; 90; 90; 90;  

COD ID: 4105541
CIF file Formula: - C5 H9 F N2 O3 -
Comments: Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors Journal of the American Chemical Society 133 (2011) 1122-1133
Space group: P 21 21 21
Cell volume: 736.23
Cell parameters: 4.9856; 9.1624; 16.117; 90; 90; 90;  

COD ID: 4105542
CIF file Formula: - C24 H39 F N2 O9 -
Comments: Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors Journal of the American Chemical Society 133 (2011) 1122-1133
Space group: P 1
Cell volume: 1384.4
Cell parameters: 5.8761; 12.7456; 19.2364; 105.615; 90.264; 93.624;  

COD ID: 4105543
CIF file Formula: - C24 H39 F N2 O9 -
Comments: Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors Journal of the American Chemical Society 133 (2011) 1122-1133
Space group: P 1
Cell volume: 1377.87
Cell parameters: 5.8599; 12.7267; 19.2131; 105.576; 90.305; 93.135;  

COD ID: 4105544
CIF file Formula: - C72 H59 B F15 Hf N3 -
Comments: Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes Journal of the American Chemical Society 133 (2011) 732-735
Space group: P -1
Cell volume: 3067
Cell parameters: 13.935; 14.557; 17.158; 83.02; 80.76; 63.387;  

COD ID: 4105545
CIF file Formula: - C41 H44 Hf N2 -
Comments: Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes Journal of the American Chemical Society 133 (2011) 732-735
Space group: P 1 21/n 1
Cell volume: 3358
Cell parameters: 11.116; 26.089; 11.661; 90; 96.79; 90;  

COD ID: 4105546
CIF file Formula: - C58 H67 Hf N3 -
Comments: Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes Journal of the American Chemical Society 133 (2011) 732-735
Space group: P -1
Cell volume: 2497
Cell parameters: 11.146; 13.285; 19.22; 69.96; 88.4; 69.84;  

COD ID: 4105547
CIF file Formula: - C46 H49 Hf N3 -
Comments: Hayato Tsurugi; Koji Yamamoto; Kazushi Mashima Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C-H Activations by Alkylhafnium Complexes Journal of the American Chemical Society 133 (2011) 732-735
Space group: P 1 21/n 1
Cell volume: 3815
Cell parameters: 15.052; 15.792; 16.173; 90; 97.127; 90;  

COD ID: 4105548
CIF file Formula: - C33 H15 Cu3 N3 O18 -
Comments: 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 133 (2011) 748-751
Space group: F m -3 m
Cell volume: 74901
Cell parameters: 42.153; 42.153; 42.153; 90; 90; 90;  

COD ID: 4105549
CIF file Formula: - C34.5 H15 Co3 N3.75 O25.07 -
Comments: 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 133 (2011) 748-751
Space group: F m -3
Cell volume: 75723
Cell parameters: 42.3067; 42.3067; 42.3067; 90; 90; 90;  

COD ID: 4105550
CIF file Formula: - C89 H86 Cl2 N2 Ni O5 -
Comments: Carl A. Laskowski; Alexander J. M. Miller; Gregory L. Hillhouse; Thomas R. Cundari A Two-Coordinate Nickel Imido Complex That Effects C-H Amination Journal of the American Chemical Society 133 (2011) 771-773
Space group: F d d 2
Cell volume: 14404
Cell parameters: 17.515; 28.008; 29.362; 90; 90; 90;  

COD ID: 4105551
CIF file Formula: - C97 H91 N3 Ni O -
Comments: Carl A. Laskowski; Alexander J. M. Miller; Gregory L. Hillhouse; Thomas R. Cundari A Two-Coordinate Nickel Imido Complex That Effects C-H Amination Journal of the American Chemical Society 133 (2011) 771-773
Space group: P 1 21/c 1
Cell volume: 7539.1
Cell parameters: 13.3746; 24.1618; 23.9714; 90; 103.287; 90;  

COD ID: 4105552
CIF file Formula: - C87 H80 N2 Ni -
Comments: Carl A. Laskowski; Alexander J. M. Miller; Gregory L. Hillhouse; Thomas R. Cundari A Two-Coordinate Nickel Imido Complex That Effects C-H Amination Journal of the American Chemical Society 133 (2011) 771-773
Space group: P -1
Cell volume: 3333.9
Cell parameters: 10.975; 16.026; 19.376; 79.074; 85.095; 89.287;  

COD ID: 4105553
CIF file Formula: - C19 H15 N O3 -
Comments: Sergiy Levin; Roger R. Nani; Sarah E. Reisman Enantioselective Total Synthesis of (+)-Salvileucalin B Journal of the American Chemical Society 133 (2011) 774-776
Space group: P 1 21 1
Cell volume: 1502.04
Cell parameters: 8.6114; 14.2075; 12.6871; 90; 104.609; 90;  

COD ID: 4105554
CIF file Formula: - C20 H18 N2 O5 -
Comments: Jason R. Zbieg; Emma L. McInturff; Joyce C. Leung; Michael J. Krische Amplification of Anti-Diastereoselectivity via Curtin-Hammett Effects in Ruthenium-Catalyzed Hydrohydroxyalkylation of 1,1-Disubstituted Allenes: Diastereoselective Formation of All-Carbon Quaternary Centers Journal of the American Chemical Society 133 (2011) 1141-1144
Space group: P -1
Cell volume: 854
Cell parameters: 7.3019; 9.615; 13.028; 75.958; 75.473; 80.71;  

COD ID: 4105555
CIF file Formula: - C57 H66 N2 O9 Sn W -
Comments: S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal Journal of the American Chemical Society 133 (2011) 777-779
Space group: P n a 21
Cell volume: 5574
Cell parameters: 17.91; 13.236; 23.515; 90; 90; 90;  

COD ID: 4105556
CIF file Formula: - C33.5 H41.5 N2 O5 Sn W -
Comments: S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal Journal of the American Chemical Society 133 (2011) 777-779
Space group: P b c a
Cell volume: 7449
Cell parameters: 14.33; 19.457; 26.718; 90; 90; 90;  

COD ID: 4105557
CIF file Formula: - C36 H46 Ge N2 O6 W -
Comments: S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal Journal of the American Chemical Society 133 (2011) 777-779
Space group: P b c a
Cell volume: 7531.3
Cell parameters: 14.6626; 19.5017; 26.3383; 90; 90; 90;  

COD ID: 4105558
CIF file Formula: - C22 H26 B Cl2 F7 O3 S -
Comments: Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control Journal of the American Chemical Society 133 (2011) 752-755
Space group: P 1 21/c 1
Cell volume: 5078.3
Cell parameters: 26.4514; 9.6762; 19.9287; 90; 95.38; 90;  

COD ID: 4105559
CIF file Formula: - C21 H24 B Cl2 F7 O3 S -
Comments: Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control Journal of the American Chemical Society 133 (2011) 752-755
Space group: P 1 21/c 1
Cell volume: 2425
Cell parameters: 16.716; 8.052; 18.649; 90; 104.928; 90;  

COD ID: 4105560
CIF file Formula: - C21 H26 O2 S -
Comments: Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control Journal of the American Chemical Society 133 (2011) 752-755
Space group: P 1 21/c 1
Cell volume: 3625.5
Cell parameters: 13.182; 19.464; 14.135; 90; 91.468; 90;  

COD ID: 4105561
CIF file Formula: - C21 H28 O2 S -
Comments: Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control Journal of the American Chemical Society 133 (2011) 752-755
Space group: P 21 21 21
Cell volume: 1875.4
Cell parameters: 5.9163; 11.863; 26.721; 90; 90; 90;  

COD ID: 4105562
CIF file Formula: - C22 H38 F6 Fe2 N2 P S2 -
Comments: Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes Journal of the American Chemical Society 133 (2011) 1147-1149
Space group: P -1
Cell volume: 1419.21
Cell parameters: 8.6394; 11.5514; 14.9011; 76.524; 79.205; 85.115;  

COD ID: 4105563
CIF file Formula: - C24 H42 F6 Fe2 N2 P S2 -
Comments: Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes Journal of the American Chemical Society 133 (2011) 1147-1149
Space group: P 1 21/c 1
Cell volume: 3005.2
Cell parameters: 18.55; 10.6374; 16.4567; 90; 112.265; 90;  

COD ID: 4105564
CIF file Formula: - C22 H38 Fe2 N2 S2 -
Comments: Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes Journal of the American Chemical Society 133 (2011) 1147-1149
Space group: P c c n
Cell volume: 2456.6
Cell parameters: 18.427; 10.218; 13.047; 90; 90; 90;  

COD ID: 4105565
CIF file Formula: - C30 H42 F6 Fe2 N0 P S2 -
Comments: Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes Journal of the American Chemical Society 133 (2011) 1147-1149
Space group: P 1 21/n 1
Cell volume: 3264
Cell parameters: 10.422; 17.643; 17.751; 90; 90.305; 90;  

COD ID: 4105566
CIF file Formula: - C32 H46 F6 Fe2 P S2 -
Comments: Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes Journal of the American Chemical Society 133 (2011) 1147-1149
Space group: C 1 2/c 1
Cell volume: 6698
Cell parameters: 35.483; 10.195; 21.444; 90; 120.299; 90;  

COD ID: 4105567
CIF file Formula: - C26 H41 F6 Fe2 N0 P S2 -
Comments: Yanhui Chen; Litao Liu; Ying Peng; Pingping Chen; Yi Luo; Jingping Qu Unusual Thiolate-Bridged Diiron Clusters Bearing the cis-HN=NH Ligand and Their Reactivities with Terminal Alkynes Journal of the American Chemical Society 133 (2011) 1147-1149
Space group: P 1 21/n 1
Cell volume: 2979
Cell parameters: 13.948; 14.6111; 15.6505; 90; 110.934; 90;  

COD ID: 4105568
CIF file Formula: - C12 H25 F3 Fe N5 O4 S2 -
Comments: Gloria Villar-Acevedo; Elaine Nam; Sarah Fitch; Jason Benedict; John Freudenthal; Werner Kaminsky; Julie A. Kovacs Influence of Thiolate Ligands on Reductive N-O Bond Activation. Probing the O2-Binding Site of a Biomimetic Superoxide Reductase Analogue and Examining the Proton-Dependent Reduction of Nitrite Journal of the American Chemical Society 133 (2011) 1419-1427
Space group: P n m a
Cell volume: 1932.2
Cell parameters: 14.4552; 8.5295; 15.6713; 90; 90; 90;  

COD ID: 4105569
CIF file Formula: - C11 H25 F6 Fe N5 O2 P S -
Comments: Gloria Villar-Acevedo; Elaine Nam; Sarah Fitch; Jason Benedict; John Freudenthal; Werner Kaminsky; Julie A. Kovacs Influence of Thiolate Ligands on Reductive N-O Bond Activation. Probing the O2-Binding Site of a Biomimetic Superoxide Reductase Analogue and Examining the Proton-Dependent Reduction of Nitrite Journal of the American Chemical Society 133 (2011) 1419-1427
Space group: P n m a
Cell volume: 1857.1
Cell parameters: 13.626; 8.579; 15.887; 90; 90; 90;  

COD ID: 4105570
CIF file Formula: - C42 H81 N O15 -
Comments: Jian Tian; Scott J. Dalgarno; Jerry L. Atwood A New Strategy of Transforming Pharmaceutical Crystal Forms Journal of the American Chemical Society 133 (2011) 1399-1404
Space group: P 21 21 21
Cell volume: 4911.2
Cell parameters: 8.7685; 14.598; 38.368; 90; 90; 90;  

COD ID: 4105571
CIF file Formula: - C20 H13 O P S -
Comments: Yi Ren; Thomas Baumgartner Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System Journal of the American Chemical Society 133 (2011) 1328-1340
Space group: P b c a
Cell volume: 3178.56
Cell parameters: 11.458; 15.084; 18.391; 90; 90; 90;  

COD ID: 4105572
CIF file Formula: - C22 H16 F3 O3 P S2 -
Comments: Yi Ren; Thomas Baumgartner Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System Journal of the American Chemical Society 133 (2011) 1328-1340
Space group: P -1
Cell volume: 1035.87
Cell parameters: 8.474; 11.042; 12.124; 107.154; 93.401; 104.965;  

COD ID: 4105573
CIF file Formula: - C20 H13 O2 P S -
Comments: Yi Ren; Thomas Baumgartner Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System Journal of the American Chemical Society 133 (2011) 1328-1340
Space group: P -1
Cell volume: 804.72
Cell parameters: 8.36; 9.691; 11.085; 67.738; 83.274; 75.59;  

COD ID: 4105574
CIF file Formula: - C25 H22 F3 O6 P S2 -
Comments: Yi Ren; Thomas Baumgartner Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System Journal of the American Chemical Society 133 (2011) 1328-1340
Space group: P -1
Cell volume: 1304.61
Cell parameters: 7.91; 11.238; 15.195; 91.953; 97.815; 102.315;  

COD ID: 4105575
CIF file Formula: - C26 H23 O2 P S -
Comments: Yi Ren; Thomas Baumgartner Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System Journal of the American Chemical Society 133 (2011) 1328-1340
Space group: P 21 21 21
Cell volume: 2136.33
Cell parameters: 7.599; 11.92; 23.585; 90; 90; 90;  

COD ID: 4105576
CIF file Formula: - C27 H12 F5 O2 P S -
Comments: Yi Ren; Thomas Baumgartner Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System Journal of the American Chemical Society 133 (2011) 1328-1340
Space group: P 1 21/c 1
Cell volume: 2233.76
Cell parameters: 10.005; 23.945; 9.833; 90; 108.515; 90;  

COD ID: 4105577
CIF file Formula: - C25 H28 Cl N O3 S -
Comments: Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones Journal of the American Chemical Society 133 (2011) 1466-1474
Space group: P 1 21/c 1
Cell volume: 2230.62
Cell parameters: 6.5874; 21.8493; 15.5021; 90; 91.324; 90;  

COD ID: 4105578
CIF file Formula: - C40 H46 F6 O8 Pd2 S2 -
Comments: Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones Journal of the American Chemical Society 133 (2011) 1466-1474
Space group: P 1 21/n 1
Cell volume: 4120.81
Cell parameters: 11.0057; 15.2127; 24.8627; 90; 98.133; 90;  

COD ID: 4105579
CIF file Formula: - C28 H33 Cl3 F3 N O6 Pd S2 -
Comments: Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones Journal of the American Chemical Society 133 (2011) 1466-1474
Space group: P 21 21 21
Cell volume: 3377.8
Cell parameters: 9.8001; 17.2851; 19.9404; 90; 90; 90;  

COD ID: 4105580
CIF file Formula: - C42 H46 F6 O6 Pd2 -
Comments: Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones Journal of the American Chemical Society 133 (2011) 1466-1474
Space group: P -1
Cell volume: 2200.3
Cell parameters: 12.095; 12.781; 15.3; 71.594; 86.857; 78.665;  

COD ID: 4105581
CIF file Formula: - C66 H86 Cl8 F6 N8 O22 Pd2 S10 -
Comments: Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones Journal of the American Chemical Society 133 (2011) 1466-1474
Space group: P -1
Cell volume: 2300.7
Cell parameters: 11.0983; 13.4473; 15.9684; 96.267; 99.984; 98.252;  

COD ID: 4105582
CIF file Formula: - C26 H25 Cl N2 O5 S2 -
Comments: Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones Journal of the American Chemical Society 133 (2011) 1466-1474
Space group: P 1 21/c 1
Cell volume: 7949.1
Cell parameters: 10.7141; 24.593; 30.357; 90; 96.391; 90;  

COD ID: 4105583
CIF file Formula: - C23 H39 N O7 -
Comments: Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly Journal of the American Chemical Society 133 (2011) 1484-1505
Space group: P 21 21 21
Cell volume: 2983.98
Cell parameters: 6.0541; 14.8692; 33.1481; 90; 90; 90;  

COD ID: 4105584
CIF file Formula: - C25 H37 N O7 -
Comments: Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly Journal of the American Chemical Society 133 (2011) 1484-1505
Space group: P 1 21 1
Cell volume: 1291.2
Cell parameters: 9.1219; 9.797; 14.6276; 90; 98.977; 90;  

COD ID: 4105585
CIF file Formula: - C41 H62 O8 Si2 -
Comments: Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly Journal of the American Chemical Society 133 (2011) 1484-1505
Space group: P 1 21 1
Cell volume: 2142.5
Cell parameters: 15.3315; 8.2072; 17.2595; 90; 99.414; 90;  

COD ID: 4105586
CIF file Formula: - C55 H74 N2 O10 Si -
Comments: Bo Wang; T. Matthew Hansen; Lynn Weyer; Dimao Wu; Ting Wang; Mathias Christmann; Yingtao Lu; Lu Ying; Mary M. Engler; Russell D. Cink; Chi-Sing Lee; Feryan Ahmed; Craig J. Forsyth Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Convergent Total Synthesis Journal of the American Chemical Society 133 (2011) 1506-1516
Space group: I 4
Cell volume: 12330.6
Cell parameters: 21.3411; 21.3411; 27.0738; 90; 90; 90;  

COD ID: 4105587
CIF file Formula: - C18 H15 N O -
Comments: Didier G. Pintori; Michael F. Greaney Intramolecular Oxidative C-H Coupling for Medium-Ring Synthesis Journal of the American Chemical Society 133 (2011) 1209-1211
Space group: P 1 21/n 1
Cell volume: 1327.18
Cell parameters: 8.6927; 14.146; 11.0283; 90; 101.858; 90;  

COD ID: 4105588
CIF file Formula: - C18 H14 F N O -
Comments: Didier G. Pintori; Michael F. Greaney Intramolecular Oxidative C-H Coupling for Medium-Ring Synthesis Journal of the American Chemical Society 133 (2011) 1209-1211
Space group: P 1 21/n 1
Cell volume: 1337.47
Cell parameters: 11.8879; 9.0693; 12.4154; 90; 92.315; 90;  

COD ID: 4105589
CIF file Formula: - C62 H66 N10 O18 -
Comments: Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes Journal of the American Chemical Society 133 (2011) 1526-1533
Space group: P -1
Cell volume: 1479.3
Cell parameters: 11.018; 12.439; 12.576; 118.73; 99.56; 91.47;  

COD ID: 4105590
CIF file Formula: - C54 H42 N10 O24 -
Comments: Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes Journal of the American Chemical Society 133 (2011) 1526-1533
Space group: P -1
Cell volume: 1511.7
Cell parameters: 10.421; 11.556; 14.011; 98.76; 109.73; 101.49;  

COD ID: 4105591
CIF file Formula: - C72 H64 N12 O17.5 -
Comments: Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes Journal of the American Chemical Society 133 (2011) 1526-1533
Space group: P -1
Cell volume: 1733
Cell parameters: 10.807; 12.716; 14.113; 69.89; 82.26; 72.19;  

COD ID: 4105592
CIF file Formula: - C74 H52 Ag2 N10 O28 -
Comments: Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes Journal of the American Chemical Society 133 (2011) 1526-1533
Space group: P -1
Cell volume: 1921.4
Cell parameters: 11.431; 13.858; 15.183; 116.2; 91.13; 113.54;  

COD ID: 4105593
CIF file Formula: - C81 H116 B6 F24 N18 O22 Pd3 -
Comments: Tae Hwan Noh; Eunjung Heo; Kang Hyun Park; Ok-Sang Jung Motion of an Isolated Water Molecule within a Flexible Coordination Cage: Structural Properties and Catalytic Effects of Ionic Palladium(II) Complexes Journal of the American Chemical Society 133 (2011) 1236-1239
Space group: R 3 :H
Cell volume: 8308.8
Cell parameters: 15.5209; 15.5209; 39.8268; 90; 90; 120;  

COD ID: 4105594
CIF file Formula: - C81 H116 Cl6 N18 O47 Pd3 -
Comments: Tae Hwan Noh; Eunjung Heo; Kang Hyun Park; Ok-Sang Jung Motion of an Isolated Water Molecule within a Flexible Coordination Cage: Structural Properties and Catalytic Effects of Ionic Palladium(II) Complexes Journal of the American Chemical Society 133 (2011) 1236-1239
Space group: R 3 :H
Cell volume: 8490.55
Cell parameters: 15.5257; 15.5257; 40.6727; 90; 90; 120;  

COD ID: 4105595
CIF file Formula: - C44 H38 Si2 -
Comments: Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands Journal of the American Chemical Society 133 (2011) 1257-1259
Space group: P -1
Cell volume: 1777.3
Cell parameters: 10.125; 13.433; 13.925; 88.83; 69.82; 89.81;  

COD ID: 4105596
CIF file Formula: - C96 H92 K O4 Sc Si4 -
Comments: Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands Journal of the American Chemical Society 133 (2011) 1257-1259
Space group: P 21 21 21
Cell volume: 8079.91
Cell parameters: 11.06097; 22.5577; 32.3831; 90; 90; 90;  

COD ID: 4105597
CIF file Formula: - C124 H124 Ce Li O4 Si4 -
Comments: Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands Journal of the American Chemical Society 133 (2011) 1257-1259
Space group: P -1
Cell volume: 5238
Cell parameters: 14.375; 14.42; 28.45; 88.31; 82.44; 63.69;  

COD ID: 4105598
CIF file Formula: - C88 H72 Ce Si4 -
Comments: Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands Journal of the American Chemical Society 133 (2011) 1257-1259
Space group: P 1 21/n 1
Cell volume: 3515.9
Cell parameters: 13.32; 17.329; 16.4549; 90; 112.23; 90;  

COD ID: 4105599
CIF file Formula: - C102 H88 Si4 U -
Comments: Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands Journal of the American Chemical Society 133 (2011) 1257-1259
Space group: C 1 2/c 1
Cell volume: 8012.1
Cell parameters: 11.6569; 25.6459; 26.8855; 90; 94.549; 90;  

COD ID: 4105600
CIF file Formula: - C88 H4 N S4 Sc3 -
Comments: Fang-Fang Li; Julio R. Pinzón; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch; Luis Echegoyen [2 + 2] Cycloaddition Reaction to Sc3N@Ih-C80. The Formation of Very Stable [5,6]- and [6,6]-Adducts Journal of the American Chemical Society 133 (2011) 1563-1571
Space group: P n m a
Cell volume: 4524.2
Cell parameters: 19.6998; 14.7348; 15.5859; 90; 90; 90;  

COD ID: 4105601
CIF file Formula: - C88 H4 N S4 Sc3 -
Comments: Fang-Fang Li; Julio R. Pinzón; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch; Luis Echegoyen [2 + 2] Cycloaddition Reaction to Sc3N@Ih-C80. The Formation of Very Stable [5,6]- and [6,6]-Adducts Journal of the American Chemical Society 133 (2011) 1563-1571
Space group: P 21 21 21
Cell volume: 4527.5
Cell parameters: 14.7764; 15.6777; 19.5438; 90; 90; 90;  

COD ID: 4105602
CIF file Formula: - C12 H26 N2 O10 P2 -
Comments: Michael T. Wharmby; John P. S. Mowat; Stephen P. Thompson; Paul A. Wright Extending the Pore Size of Crystalline Metal Phosphonates toward the Mesoporous Regime by Isoreticular Synthesis Journal of the American Chemical Society 133 (2011) 1266-1269
Space group: P 1 21/c 1
Cell volume: 971.8
Cell parameters: 10.24; 6.0262; 15.832; 90; 95.866; 90;  

COD ID: 4105603
CIF file

HKL data

Formula: - C6 Co N O7.73 P -
Comments: Michael T. Wharmby; John P. S. Mowat; Stephen P. Thompson; Paul A. Wright Extending the Pore Size of Crystalline Metal Phosphonates toward the Mesoporous Regime by Isoreticular Synthesis Journal of the American Chemical Society 133 (2011) 1266-1269
Space group: R -3 :H
Cell volume: 9245.63
Cell parameters: 41.28697; 41.28697; 6.26296; 90; 90; 120;  

COD ID: 4105604
CIF file Formula: - C40 H50 Cl3 Fe N3 S -
Comments: Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes Journal of the American Chemical Society 133 (2011) 1274-1277
Space group: P 41
Cell volume: 4087.94
Cell parameters: 12.73727; 12.73727; 25.1972; 90; 90; 90;  

COD ID: 4105605
CIF file Formula: - C39.59 H47.59 F3.25 Fe N3 O3.25 S2 -
Comments: Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes Journal of the American Chemical Society 133 (2011) 1274-1277
Space group: P 1 21/c 1
Cell volume: 3979.12
Cell parameters: 12.736; 18.304; 17.2827; 90; 99.0194; 90;  

COD ID: 4105606
CIF file Formula: - C38 H52 Cl2 F6 Fe N4 O8 S2 -
Comments: Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes Journal of the American Chemical Society 133 (2011) 1274-1277
Space group: P c a 21
Cell volume: 4709.62
Cell parameters: 16.9302; 11.4976; 24.1945; 90; 90; 90;  

COD ID: 4105607
CIF file Formula: - C17 H24 O3 -
Comments: Jason C. Green; Thomas R. R. Pettus An Oxidative Dearomatization-Induced [5 + 2] Cascade Enabling the Syntheses of α-Cedrene, α-Pipitzol, and sec-Cedrenol Journal of the American Chemical Society 133 (2011) 1603-1608
Space group: P 1 21/c 1
Cell volume: 1557.6
Cell parameters: 8.8538; 10.9367; 16.39; 90; 101.059; 90;  

COD ID: 4105608
CIF file Formula: - C33 H50 Cl2 F6 N4 P Rh -
Comments: Peter Gigler; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn Hydrosilylation with Biscarbene Rh(I) Complexes: Experimental Evidence for a Silylene-Based Mechanism Journal of the American Chemical Society 133 (2011) 1589-1596
Space group: P 1 21 1
Cell volume: 1861.07
Cell parameters: 11.6445; 12.6184; 12.7872; 90; 97.897; 90;  

COD ID: 4105609
CIF file Formula: - C46 H40 Cl10 N4 O -
Comments: Kohsuke Ohmatsu; Mari Kiyokawa; Takashi Ooi Chiral 1,2,3-Triazoliums as New Cationic Organic Catalysts with Anion-Recognition Ability: Application to Asymmetric Alkylation of Oxindoles Journal of the American Chemical Society 133 (2011) 1307-1309
Space group: P 1
Cell volume: 2420.1
Cell parameters: 12.291; 13.669; 14.416; 90.076; 92.249; 90.223;  

COD ID: 4105610
CIF file Formula: - C57 H79 N4 O4 Pd -
Comments: Xiaochen Cai; Subhojit Majumdar; George C. Fortman; Catherine S. J. Cazin; Alexandra M. Z. Slawin; Charles Lhermitte; Rajeev Prabhakar; Meaghan E. Germain; Taryn Palluccio; Steven P. Nolan; Elena V. Rybak-Akimova; Manuel Temprado; Burjor Captain; Carl D. Hoff Oxygen Binding to [Pd(L)(L')] (L= NHC, L' = NHC or PR3, NHC = N-Heterocyclic Carbene). Synthesis and Structure of a Paramagnetic trans-[Pd(NHC)2(η1-O2)2] Complex Journal of the American Chemical Society 133 (2011) 1290-1293
Space group: P 1 21/c 1
Cell volume: 5416
Cell parameters: 13.766; 15.624; 25.915; 90; 103.647; 90;  

COD ID: 4105611
CIF file Formula: - C54 H78 N4 O4 Pd -
Comments: Xiaochen Cai; Subhojit Majumdar; George C. Fortman; Catherine S. J. Cazin; Alexandra M. Z. Slawin; Charles Lhermitte; Rajeev Prabhakar; Meaghan E. Germain; Taryn Palluccio; Steven P. Nolan; Elena V. Rybak-Akimova; Manuel Temprado; Burjor Captain; Carl D. Hoff Oxygen Binding to [Pd(L)(L')] (L= NHC, L' = NHC or PR3, NHC = N-Heterocyclic Carbene). Synthesis and Structure of a Paramagnetic trans-[Pd(NHC)2(η1-O2)2] Complex Journal of the American Chemical Society 133 (2011) 1290-1293
Space group: P -1
Cell volume: 2592.74
Cell parameters: 12.2884; 12.334; 17.2479; 82.982; 87.966; 89.015;  

COD ID: 4105612
CIF file Formula: - C54 H57 Al2 B F20 Si2 Zr -
Comments: Steven M. Baldwin; John E. Bercaw; Lawrence M. Henling; Michael W. Day; Hans H. Brintzinger Cationic Alkylaluminum-Complexed Zirconocene Hydrides: NMR-Spectroscopic Identification, Crystallographic Structure Determination, and Interconversion with Other Zirconocene Cations Journal of the American Chemical Society 133 (2011) 1805-1813
Space group: P 1 21/n 1
Cell volume: 5766.9
Cell parameters: 16.2579; 17.1922; 21.1975; 90; 103.262; 90;  

COD ID: 4105613
CIF file Formula: - C63.5 H61 Al2 B F20 Si Zr -
Comments: Steven M. Baldwin; John E. Bercaw; Lawrence M. Henling; Michael W. Day; Hans H. Brintzinger Cationic Alkylaluminum-Complexed Zirconocene Hydrides: NMR-Spectroscopic Identification, Crystallographic Structure Determination, and Interconversion with Other Zirconocene Cations Journal of the American Chemical Society 133 (2011) 1805-1813
Space group: P 21 21 21
Cell volume: 12669.3
Cell parameters: 17.3916; 26.6355; 27.3497; 90; 90; 90;  

COD ID: 4105614
CIF file Formula: - C21 H30 Cl14 N8 Pd2 -
Comments: A. Scott McCall; Hongwang Wang; John M. Desper; Stefan Kraft Bis-N-heterocyclic Carbene Palladium(IV) Tetrachloride Complexes: Synthesis, Reactivity, and Mechanisms of Direct Chlorinations and Oxidations of Organic Substrates Journal of the American Chemical Society 133 (2011) 1832-1848
Space group: P 1 21/n 1
Cell volume: 1873.6
Cell parameters: 7.6703; 18.5451; 13.1767; 90; 91.644; 90;  

COD ID: 4105615
CIF file Formula: - C64 N4 O40 Si V2 W10 -
Comments: Kazuhiro Uehara; Noritaka Mizuno Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates Journal of the American Chemical Society 133 (2011) 1622-1625
Space group: P 21 21 21
Cell volume: 10210
Cell parameters: 18.7387; 21.4365; 25.4175; 90; 90; 90;  

COD ID: 4105616
CIF file Formula: - C68 Cl4 N4 O39 Si V2 W10 -
Comments: Kazuhiro Uehara; Noritaka Mizuno Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates Journal of the American Chemical Society 133 (2011) 1622-1625
Space group: P -4 21 c
Cell volume: 21596.9
Cell parameters: 35.6567; 35.6567; 16.9867; 90; 90; 90;  

COD ID: 4105617
CIF file Formula: - C68 Cl4 N4 O40 Si V2 W10 -
Comments: Kazuhiro Uehara; Noritaka Mizuno Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates Journal of the American Chemical Society 133 (2011) 1622-1625
Space group: P -4 21 c
Cell volume: 21569.4
Cell parameters: 35.6802; 35.6802; 16.9427; 90; 90; 90;  

COD ID: 4105618
CIF file Formula: - C46 H66 Cl8 N12 O4 Pd2 -
Comments: Gary Jing Chuang; Weike Wang; Eunsung Lee; Tobias Ritter A Dinuclear Palladium Catalyst for α-Hydroxylation of Carbonyls with O2 Journal of the American Chemical Society 133 (2011) 1760-1762
Space group: P b c a
Cell volume: 10882.1
Cell parameters: 20.62; 20.3363; 25.951; 90; 90; 90;  

COD ID: 4105619
CIF file Formula: - C11 H13 N O2 S4 -
Comments: John B. Biggins; Xiaofei Liu; Zhiyang Feng; Sean F. Brady Metabolites from the Induced Expression of Cryptic Single Operons Found in the Genome of Burkholderia pseudomallei Journal of the American Chemical Society 133 (2011) 1638-1641
Space group: P 1 21/c 1
Cell volume: 2694.4
Cell parameters: 9.8403; 17.7022; 15.5474; 90; 95.805; 90;  

COD ID: 4105620
CIF file Formula: - C20 H18 O3 -
Comments: John B. Biggins; Xiaofei Liu; Zhiyang Feng; Sean F. Brady Metabolites from the Induced Expression of Cryptic Single Operons Found in the Genome of Burkholderia pseudomallei Journal of the American Chemical Society 133 (2011) 1638-1641
Space group: P 1 21/c 1
Cell volume: 1606
Cell parameters: 10.6588; 20.2223; 7.4519; 90; 90.946; 90;  

COD ID: 4105621
CIF file Formula: - C20 H18 O3 -
Comments: John B. Biggins; Xiaofei Liu; Zhiyang Feng; Sean F. Brady Metabolites from the Induced Expression of Cryptic Single Operons Found in the Genome of Burkholderia pseudomallei Journal of the American Chemical Society 133 (2011) 1638-1641
Space group: P b c n
Cell volume: 3177
Cell parameters: 18.1916; 8.3327; 20.9582; 90; 90; 90;  

COD ID: 4105622
CIF file Formula: - C84 H84 Co12 F4 Fe6 N2 O55 P4 -
Comments: Sayon A. Kumalah Robinson; Marion-Vincent L. Mempin; Amy J. Cairns; K. Travis Holman A Cubic, 12-Connected, Microporous Metal-Organometallic Phosphate Framework Sustained by Truncated Tetrahedral Nodes Journal of the American Chemical Society 133 (2011) 1634-1637
Space group: F -4 3 m
Cell volume: 14106.5
Cell parameters: 24.1624; 24.1624; 24.1624; 90; 90; 90;  

COD ID: 4105623
CIF file Formula: - C25 H34 Cl N3 O -
Comments: Dennis X. Hu; Michael D. Clift; Kiel E. Lazarski; Regan J. Thomson Enantioselective Total Synthesis and Confirmation of the Absolute and Relative Stereochemistry of Streptorubin B Journal of the American Chemical Society 133 (2011) 1799-1804
Space group: C 1 2 1
Cell volume: 4677
Cell parameters: 27.139; 8.776; 23.632; 90; 123.81; 90;  

COD ID: 4105624
CIF file Formula: - C34.38 H41.75 Cl2.75 N O6 -
Comments: Micheal C. Wilson; Sang-Jip Nam; Tobias A. M. Gulder; Christopher A. Kauffman; Paul R. Jensen; William Fenical; Bradley S. Moore Structure and Biosynthesis of the Marine Streptomycete Ansamycin Ansalactam A and Its Distinctive Branched Chain Polyketide Extender Unit Journal of the American Chemical Society 133 (2011) 1971-1977
Space group: P 1 21 1
Cell volume: 3266.3
Cell parameters: 11.7897; 14.5693; 19.106; 90; 95.564; 90;  

COD ID: 4105625
CIF file Formula: - C17 H25 Cl2 N O Pt -
Comments: Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate Journal of the American Chemical Society 133 (2011) 1754-1756
Space group: P 21 21 21
Cell volume: 1910.2
Cell parameters: 6.7044; 10.749; 26.506; 90; 90; 90;  

COD ID: 4105626
CIF file Formula: - C11 H16 O3 -
Comments: Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate Journal of the American Chemical Society 133 (2011) 1754-1756
Space group: P c a 21
Cell volume: 1015.7
Cell parameters: 17.233; 7.822; 7.535; 90; 90; 90;  

COD ID: 4105627
CIF file Formula: - C24 H29 Cl2 N O2 Pt -
Comments: Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate Journal of the American Chemical Society 133 (2011) 1754-1756
Space group: P 1 21/a 1
Cell volume: 2354.4
Cell parameters: 18.932; 6.7865; 20.175; 90; 114.731; 90;  

COD ID: 4105628
CIF file Formula: - C21 H22 Br N O2 -
Comments: Andrew DeAngelis; Valerie W. Shurtleff; Olga Dmitrenko; Joseph M. Fox Rhodium(II)-Catalyzed Enantioselective C-H Functionalization of Indoles Journal of the American Chemical Society 133 (2011) 1650-1653
Space group: P 21 21 21
Cell volume: 1856.4
Cell parameters: 6.025; 9.345; 32.971; 90; 90; 90;  

COD ID: 4105629
CIF file Formula: - Ca O3 Tc -
Comments: Maxim Avdeev; Gordon J. Thorogood; Melody L. Carter; Brendan J. Kennedy; Jimmy Ting; David J. Singh; Kia S. Wallwork Antiferromagnetism in a Technetium Oxide. Structure of CaTcO3 Journal of the American Chemical Society 133 (2011) 1654-1657
Space group: P n m a
Cell volume: 231.2
Cell parameters: 5.5327; 7.7224; 5.4112; 90; 90; 90;  

COD ID: 4105630
CIF file Formula: - C19 H21 N O4 S -
Comments: Mu Lin; Feng Li; Lei Jiao; Zhi-Xiang Yu Rh(I)-Catalyzed Formal [5 + 1]/[2 + 2 + 1] Cycloaddition of 1-Yne-vinylcyclopropanes and Two CO Units: One-Step Construction of Multifunctional Angular Tricyclic 5/5/6 Compounds Journal of the American Chemical Society 133 (2011) 1690-1693
Space group: P b c a
Cell volume: 3415.6
Cell parameters: 11.288; 14.489; 20.884; 90; 90; 90;  

COD ID: 4105631
CIF file Formula: - C27 H24 N2 O5 S2 -
Comments: Kai Sun; Yan Li; Tao Xiong; Jingping Zhang; Qian Zhang Palladium-Catalyzed C-H Aminations of Anilides with N-Fluorobenzenesulfonimide Journal of the American Chemical Society 133 (2011) 1694-1697
Space group: P -1
Cell volume: 1242.7
Cell parameters: 9.889; 11.32; 12.066; 99.648; 105.586; 100.964;  

COD ID: 4105632
CIF file Formula: - C2.94 H3.29 N0.24 O0.71 S0.24 -
Comments: Kai Sun; Yan Li; Tao Xiong; Jingping Zhang; Qian Zhang Palladium-Catalyzed C-H Aminations of Anilides with N-Fluorobenzenesulfonimide Journal of the American Chemical Society 133 (2011) 1694-1697
Space group: P -1
Cell volume: 1293.47
Cell parameters: 10.0399; 10.9768; 13.4457; 109.146; 92.134; 110.32;  

COD ID: 4105633
CIF file Formula: - C13 H14 I N O2 -
Comments: Stephen G. Newman; Mark Lautens Palladium-Catalyzed Carboiodination of Alkenes: Carbon-Carbon Bond Formation with Retention of Reactive Functionality Journal of the American Chemical Society 133 (2011) 1778-1780
Space group: P 1 21/n 1
Cell volume: 1263.85
Cell parameters: 6.4325; 15.2429; 13.15; 90; 101.416; 90;  

COD ID: 4105634
CIF file Formula: - C47 H27 B Cu F20 N5 O -
Comments: Ryan L. Peterson; Richard A. Himes; Hiroaki Kotani; Tomoyoshi Suenobu; Li Tian; Maxime A. Siegler; Edward I. Solomon; Shunichi Fukuzumi; Kenneth D. Karlin Cupric Superoxo-Mediated Intermolecular C-H Activation Chemistry Journal of the American Chemical Society 133 (2011) 1702-1705
Space group: P 1 21/n 1
Cell volume: 4428.87
Cell parameters: 13.5975; 21.6883; 15.1332; 90; 97.0785; 90;  

COD ID: 4105635
CIF file Formula: - C13 H15 N O3 -
Comments: Appaso Mahadev Jadhav; Sabyasachi Bhunia; Hsin-Yi Liao; Rai-Shung Liu Gold-Catalyzed Stereoselective Synthesis of Azacyclic Compounds through a Redox/[2 + 2 + 1] Cycloaddition Cascade of Nitroalkyne Substrates Journal of the American Chemical Society 133 (2011) 1769-1771
Space group: P 1 21/c 1
Cell volume: 1142.37
Cell parameters: 11.3656; 13.4721; 7.4844; 90; 94.562; 90;  

COD ID: 4105636
CIF file Formula: - C24 H26 N2 O4 -
Comments: Appaso Mahadev Jadhav; Sabyasachi Bhunia; Hsin-Yi Liao; Rai-Shung Liu Gold-Catalyzed Stereoselective Synthesis of Azacyclic Compounds through a Redox/[2 + 2 + 1] Cycloaddition Cascade of Nitroalkyne Substrates Journal of the American Chemical Society 133 (2011) 1769-1771
Space group: P -1
Cell volume: 1052.9
Cell parameters: 9.0389; 10.0864; 13.588; 72.58; 88.295; 63.795;  

COD ID: 4105637
CIF file Formula: - C17 H14.67 F N O3.33 -
Comments: Filippo Sladojevich; Andrea Trabocchi; Antonio Guarna; Darren J. Dixon A New Family of Cinchona-Derived Amino Phosphine Precatalysts: Application to the Highly Enantio- and Diastereoselective Silver-Catalyzed Isocyanoacetate Aldol Reaction Journal of the American Chemical Society 133 (2011) 1710-1713
Space group: R 3 :H
Cell volume: 3294
Cell parameters: 25.205; 25.205; 5.987; 90; 90; 120;  

COD ID: 4105638
CIF file Formula: - C17 H16 Br N O3 -
Comments: Filippo Sladojevich; Andrea Trabocchi; Antonio Guarna; Darren J. Dixon A New Family of Cinchona-Derived Amino Phosphine Precatalysts: Application to the Highly Enantio- and Diastereoselective Silver-Catalyzed Isocyanoacetate Aldol Reaction Journal of the American Chemical Society 133 (2011) 1710-1713
Space group: P 1 21 1
Cell volume: 770.83
Cell parameters: 10.2156; 6.7637; 11.1574; 90; 90.889; 90;  

COD ID: 4105639
CIF file Formula: - C31 H26 Cl2 O4 -
Comments: Xiaoyu Han; Youqing Wang; Fangrui Zhong; Yixin Lu Enantioselective [3 + 2] Cycloaddition of Allenes to Acrylates Catalyzed by Dipeptide-Derived Phosphines: Facile Creation of Functionalized Cyclopentenes Containing Quaternary Stereogenic Centers Journal of the American Chemical Society 133 (2011) 1726-1729
Space group: P 21 21 21
Cell volume: 2661.3
Cell parameters: 8.3201; 15.3584; 20.827; 90; 90; 90;  

COD ID: 4105640
CIF file Formula: - C15 H12 O7 -
Comments: Tian Qin; Richard P. Johnson; John A. Porco Vinylogous Addition of Siloxyfurans to Benzopyryliums: A Concise Approach to the Tetrahydroxanthone Natural Products Journal of the American Chemical Society 133 (2011) 1714-1717
Space group: P -1
Cell volume: 665.74
Cell parameters: 7.8769; 8.1717; 11.1984; 70.325; 84.844; 78.875;  

COD ID: 4105641
CIF file Formula: - C16 H16 O7 -
Comments: Tian Qin; Richard P. Johnson; John A. Porco Vinylogous Addition of Siloxyfurans to Benzopyryliums: A Concise Approach to the Tetrahydroxanthone Natural Products Journal of the American Chemical Society 133 (2011) 1714-1717
Space group: P 1 21/n 1
Cell volume: 1455.19
Cell parameters: 13.2285; 7.9453; 14.2764; 90; 104.118; 90;  

COD ID: 4105642
CIF file Formula: - C16 H16 O7 -
Comments: Tian Qin; Richard P. Johnson; John A. Porco Vinylogous Addition of Siloxyfurans to Benzopyryliums: A Concise Approach to the Tetrahydroxanthone Natural Products Journal of the American Chemical Society 133 (2011) 1714-1717
Space group: P 1 21/n 1
Cell volume: 1473.33
Cell parameters: 8.8482; 7.7305; 21.7938; 90; 98.759; 90;  

COD ID: 4105643
CIF file Formula: - C58 H56 Cl2 N6 O12 S2 -
Comments: Yifei Li; Xianxiu Xu; Jing Tan; Chunyu Xia; Dawei Zhang; Qun Liu Double Isocyanide Cyclization: A Synthetic Strategy for Two-Carbon-Tethered Pyrrole/Oxazole Pairs Journal of the American Chemical Society 133 (2011) 1775-1777
Space group: C 1 2/c 1
Cell volume: 5602.3
Cell parameters: 19.816; 8.6; 32.975; 90; 94.488; 90;  

COD ID: 4105644
CIF file Formula: - C72 H90 N6 O12 S6 -
Comments: Yifei Li; Xianxiu Xu; Jing Tan; Chunyu Xia; Dawei Zhang; Qun Liu Double Isocyanide Cyclization: A Synthetic Strategy for Two-Carbon-Tethered Pyrrole/Oxazole Pairs Journal of the American Chemical Society 133 (2011) 1775-1777
Space group: R -3 :H
Cell volume: 10989
Cell parameters: 19.425; 19.425; 33.628; 90; 90; 120;  

COD ID: 4105645
CIF file Formula: - C27 H28 N2 O5 S2 -
Comments: Yifei Li; Xianxiu Xu; Jing Tan; Chunyu Xia; Dawei Zhang; Qun Liu Double Isocyanide Cyclization: A Synthetic Strategy for Two-Carbon-Tethered Pyrrole/Oxazole Pairs Journal of the American Chemical Society 133 (2011) 1775-1777
Space group: P 1 21/n 1
Cell volume: 2604
Cell parameters: 15.026; 11.9842; 15.5208; 90; 111.297; 90;  

COD ID: 4105646
CIF file Formula: - C27 H22 N2 O4 -
Comments: Fushun Liang; Shaoxia Lin; Ying Wei Aza-Oxy-Carbanion Relay via Non-Brook Rearrangement: Efficient Synthesis of Furo[3,2-c]pyridinones Journal of the American Chemical Society 133 (2011) 1781-1783
Space group: P -1
Cell volume: 1097.9
Cell parameters: 10.258; 10.876; 12.051; 112.395; 97.263; 111.677;  

COD ID: 4105647
CIF file Formula: - C29 H25 N O2 -
Comments: Fushun Liang; Shaoxia Lin; Ying Wei Aza-Oxy-Carbanion Relay via Non-Brook Rearrangement: Efficient Synthesis of Furo[3,2-c]pyridinones Journal of the American Chemical Society 133 (2011) 1781-1783
Space group: P 1 21/n 1
Cell volume: 2287.7
Cell parameters: 13.619; 11.3289; 15.146; 90; 101.77; 90;  

COD ID: 4105648
CIF file Formula: - Ca O3 Tc -
Comments: Maxim Avdeev; Gordon J. Thorogood; Melody L. Carter; Brendan J. Kennedy; Jimmy Ting; David J. Singh; Kia S. Wallwork Antiferromagnetism in a Technetium Oxide. Structure of CaTcO3 Journal of the American Chemical Society 133 (2011) 1654-1657
Space group: P n m a
Cell volume: 230.611
Cell parameters: 5.5373; 7.7118; 5.4004; 90; 90; 90;  

COD ID: 4105649
CIF file Formula: - C38 H40 N2 O16 Zn2 -
Comments: Sebastian Henke; Roland A. Fischer Gated Channels in a Honeycomb-like Zinc-Dicarboxylate-Bipyridine Framework with Flexible Alkyl Ether Side Chains Journal of the American Chemical Society 133 (2011) 2064-2067
Space group: R -3 c :H
Cell volume: 43641
Cell parameters: 53.188; 53.188; 17.813; 90; 90; 120;  

COD ID: 4105650
CIF file Formula: - C32 H28 N2 O12 Zn2 -
Comments: Sebastian Henke; Roland A. Fischer Gated Channels in a Honeycomb-like Zinc-Dicarboxylate-Bipyridine Framework with Flexible Alkyl Ether Side Chains Journal of the American Chemical Society 133 (2011) 2064-2067
Space group: P 1 21/c 1
Cell volume: 3323.45
Cell parameters: 14.0138; 10.9075; 21.7501; 90; 91.524; 90;  

COD ID: 4105651
CIF file Formula: - C41.25 H62 B N2 O2 Os P2 -
Comments: María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates Journal of the American Chemical Society 133 (2011) 2250-2263
Space group: P -1
Cell volume: 2074.3
Cell parameters: 10.7453; 13.0951; 16.1287; 86.901; 82.155; 67.312;  

COD ID: 4105652
CIF file Formula: - C31 H53 B N2 O Os P2 -
Comments: María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates Journal of the American Chemical Society 133 (2011) 2250-2263
Space group: P 1
Cell volume: 3265.5
Cell parameters: 10.1135; 17.243; 19.003; 80.393; 88.068; 89.455;  

COD ID: 4105653
CIF file Formula: - C33 H57 B N2 O Os P2 -
Comments: María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates Journal of the American Chemical Society 133 (2011) 2250-2263
Space group: P 1
Cell volume: 6928.2
Cell parameters: 10.2107; 23.871; 29.595; 100.687; 90.333; 101.922;  

COD ID: 4105654
CIF file Formula: - C41 H63 B N2 O Os P2 -
Comments: María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates Journal of the American Chemical Society 133 (2011) 2250-2263
Space group: P -1
Cell volume: 2047.9
Cell parameters: 11.1936; 11.8609; 16.576; 106.953; 97.875; 97.96;  

COD ID: 4105655
CIF file Formula: - C42 H63 B N2 O2 Os P2 -
Comments: María L. Buil; Miguel A. Esteruelas; Karin Garcés; Enrique Oñate From Tetrahydroborate- to Aminoborylvinylidene-Osmium Complexes via Alkynyl-Aminoboryl Intermediates Journal of the American Chemical Society 133 (2011) 2250-2263
Space group: P -1
Cell volume: 2039.57
Cell parameters: 10.5199; 14.3046; 15.6759; 107.045; 104.592; 104.807;  

COD ID: 4105656
CIF file Formula: - C18 H24 I2 O3 -
Comments: Xuebin Liao; Levi M. Stanley; John F. Hartwig Enantioselective Total Syntheses of (-)-Taiwaniaquinone H and (-)-Taiwaniaquinol B by Iridium-Catalyzed Borylation and Palladium-Catalyzed Asymmetric α-Arylation Journal of the American Chemical Society 133 (2011) 2088-2091
Space group: P 1 21 1
Cell volume: 983
Cell parameters: 8.903; 10.455; 10.571; 90; 92.511; 90;  

COD ID: 4105657
CIF file Formula: - C45 H40 B Cl3 F4 N2 P2 Pd -
Comments: Tim Kösterke; Tania Pape; F. Ekkehardt Hahn Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole Journal of the American Chemical Society 133 (2011) 2112-2115
Space group: P 1 21/c 1
Cell volume: 4382.2
Cell parameters: 12.7079; 10.4589; 33.0698; 90; 94.433; 90;  

COD ID: 4105658
CIF file Formula: - C44.5 H39 B Cl2 F4 N2 P2 Pt -
Comments: Tim Kösterke; Tania Pape; F. Ekkehardt Hahn Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole Journal of the American Chemical Society 133 (2011) 2112-2115
Space group: P 1 21/c 1
Cell volume: 4442
Cell parameters: 12.7733; 10.5578; 33.0376; 90; 94.442; 90;  

COD ID: 4105659
CIF file Formula: - C44 H38 B Cl F4 N2 P2 Pt -
Comments: Tim Kösterke; Tania Pape; F. Ekkehardt Hahn Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole Journal of the American Chemical Society 133 (2011) 2112-2115
Space group: P -1
Cell volume: 1998.96
Cell parameters: 10.4079; 12.9817; 16.6774; 102.085; 104.508; 106.14;  

COD ID: 4105660
CIF file Formula: - C64 H56 Cl2 N6 O1.5 P2 Pt2 -
Comments: Tim Kösterke; Tania Pape; F. Ekkehardt Hahn Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole Journal of the American Chemical Society 133 (2011) 2112-2115
Space group: P 1 21/c 1
Cell volume: 5966.7
Cell parameters: 20.6422; 12.4704; 24.1515; 90; 106.313; 90;  

COD ID: 4105661
CIF file Formula: - C34.19 H32.47 N3 O0.547 -
Comments: Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel Redox-Neutral Indole Annulation Cascades Journal of the American Chemical Society 133 (2011) 2100-2103
Space group: P -1
Cell volume: 2716.9
Cell parameters: 12.8792; 13.1696; 16.6164; 86.739; 88.301; 74.946;  

COD ID: 4105662
CIF file Formula: - C25.5 H23 Cl N2 -
Comments: Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel Redox-Neutral Indole Annulation Cascades Journal of the American Chemical Society 133 (2011) 2100-2103
Space group: P -1
Cell volume: 967.18
Cell parameters: 7.9263; 9.9913; 13.9349; 100.827; 99.715; 112.307;  

COD ID: 4105663
CIF file Formula: - C29 H32 N2 O -
Comments: Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel Redox-Neutral Indole Annulation Cascades Journal of the American Chemical Society 133 (2011) 2100-2103
Space group: P 1 21/n 1
Cell volume: 2355.2
Cell parameters: 10.6479; 10.6812; 20.973; 90; 99.118; 90;  

COD ID: 4105664
CIF file Formula: - C28 H25 N3 -
Comments: Michael C. Haibach; Indubhusan Deb; Chandra Kanta De; Daniel Seidel Redox-Neutral Indole Annulation Cascades Journal of the American Chemical Society 133 (2011) 2100-2103
Space group: P n a 21
Cell volume: 2045.1
Cell parameters: 13.0601; 19.0376; 8.2253; 90; 90; 90;  

COD ID: 4105665
CIF file Formula: - C46 H53 N4 O V -
Comments: Nicholas A. Piro; Michael F. Lichterman; W. Hill Harman; Christopher J. Chang A Structurally Characterized Nitrous Oxide Complex of Vanadium Journal of the American Chemical Society 133 (2011) 2108-2111
Space group: P 1 21 1
Cell volume: 1964
Cell parameters: 10.91; 11.252; 16.024; 90; 93.368; 90;  

COD ID: 4105666
CIF file Formula: - C42 H45 N6 O V -
Comments: Nicholas A. Piro; Michael F. Lichterman; W. Hill Harman; Christopher J. Chang A Structurally Characterized Nitrous Oxide Complex of Vanadium Journal of the American Chemical Society 133 (2011) 2108-2111
Space group: P -1
Cell volume: 1823.5
Cell parameters: 10.4388; 10.4441; 19.1656; 83.921; 79.928; 62.462;  

COD ID: 4105667
CIF file Formula: - C61.5 H78 Cl10 N4 O11.5 P -
Comments: Pascal Dimitrov Raytchev; Alexandre Martinez; Heinz Gornitzka; Jean-Pierre Dutasta Encaging the Verkade's Superbases: Thermodynamic and Kinetic Consequences Journal of the American Chemical Society 133 (2011) 2157-2159
Space group: C 1 2/c 1
Cell volume: 12908
Cell parameters: 27.8; 26.2; 21.3; 90; 123.69; 90;  

COD ID: 4105668
CIF file Formula: - C28 H40 B F4 N P Rh -
Comments: Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes Journal of the American Chemical Society 133 (2011) 2772-2782
Space group: P -1
Cell volume: 1360.82
Cell parameters: 9.1929; 9.2239; 17.1717; 96.05; 104.776; 101.491;  

COD ID: 4105669
CIF file Formula: - C62 H87 B2 F8 N7 P2 Rh2 -
Comments: Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes Journal of the American Chemical Society 133 (2011) 2772-2782
Space group: P 1 21/c 1
Cell volume: 6512.5
Cell parameters: 12.0879; 11.8478; 45.928; 90; 98.067; 90;  

COD ID: 4105670
CIF file Formula: - C43 H55 F6 N2 P Rh Sb -
Comments: Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes Journal of the American Chemical Society 133 (2011) 2772-2782
Space group: P 1 21 1
Cell volume: 2059.1
Cell parameters: 9.3718; 15.838; 14.0215; 90; 98.362; 90;  

COD ID: 4105671
CIF file Formula: - C32 H52 B F4 N3 O P Rh -
Comments: Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes Journal of the American Chemical Society 133 (2011) 2772-2782
Space group: P 1 21/c 1
Cell volume: 3389.4
Cell parameters: 12.1655; 14.1694; 19.677; 90; 92.195; 90;  

COD ID: 4105672
CIF file Formula: - C52 H72 Cl2 N2 P2 Rh2 -
Comments: Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes Journal of the American Chemical Society 133 (2011) 2772-2782
Space group: P c c n
Cell volume: 4863.3
Cell parameters: 15.243; 16.582; 19.241; 90; 90; 90;  

COD ID: 4105673
CIF file Formula: - C81.5 H219.5 Ge14 Li3 O7 Si25 -
Comments: Christian Schenk; Andreas Kracke; Karin Fink; Adam Kubas; Wim Klopper; Marco Neumaier; Hansgeorg Schnöckel; Andreas Schnepf The Formal Combination of Three Singlet Biradicaloid Entities to a Singlet Hexaradicaloid Metalloid Ge14[Si(SiMe3)3]5[Li(THF)2]3 Cluster Journal of the American Chemical Society 133 (2011) 2518-2524
Space group: P 63/m
Cell volume: 7726.9
Cell parameters: 20.1775; 20.1775; 21.9148; 90; 90; 120;  

COD ID: 4105674
CIF file Formula: - C23 H52 F3 N Ni O3 P2 S Si2 -
Comments: Benjamin C. Fullmer; Hongjun Fan; Maren Pink; John C. Huffman; Nikolay P. Tsvetkov; Kenneth G. Caulton Three-Coordinate NiII: Tracing the Origin of an Unusual, Facile Si-C(sp3) Bond Cleavage in [(tBu2PCH2SiMe2)2N]Ni+ Journal of the American Chemical Society 133 (2011) 2571-2582
Space group: P 1 21/n 1
Cell volume: 3286
Cell parameters: 11.57; 17.0742; 17.153; 90; 104.13; 90;  

COD ID: 4105675
CIF file Formula: - C20 H48 B F4 N Ni P2 Si -
Comments: Benjamin C. Fullmer; Hongjun Fan; Maren Pink; John C. Huffman; Nikolay P. Tsvetkov; Kenneth G. Caulton Three-Coordinate NiII: Tracing the Origin of an Unusual, Facile Si-C(sp3) Bond Cleavage in [(tBu2PCH2SiMe2)2N]Ni+ Journal of the American Chemical Society 133 (2011) 2571-2582
Space group: P 1 21/c 1
Cell volume: 2827.4
Cell parameters: 16.1099; 11.1663; 16.6537; 90; 109.302; 90;  

COD ID: 4105676
CIF file Formula: - C26 H22 O6 -
Comments: Pablo Wessig; Annika Matthes Preparation of Strained Axially Chiral (1,5)Naphthalenophanes by Photo-dehydro-Diels-Alder Reaction Journal of the American Chemical Society 133 (2011) 2642-2650
Space group: P b c a
Cell volume: 4099.7
Cell parameters: 21.071; 18.061; 10.7728; 90; 90; 90;  

COD ID: 4105677
CIF file Formula: - C102 H15 F30 N Sc3 -
Comments: Natalia B. Shustova; Dmitry V. Peryshkov; Igor V. Kuvychko; Yu-Sheng Chen; Mary A. Mackey; Curtis E. Coumbe; David T. Heaps; Bridget S. Confait; Thomas Heine; J. Paige Phillips; Steven Stevenson; Lothar Dunsch; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina Poly(perfluoroalkylation) of Metallic Nitride Fullerenes Reveals Addition-Pattern Guidelines: Synthesis and Characterization of a Family of Sc3N@C80(CF3)n (n = 2-16) and Their Radical Anions Journal of the American Chemical Society 133 (2011) 2672-2690
Space group: P 1 21/n 1
Cell volume: 6438.1
Cell parameters: 13.2149; 20.0393; 24.432; 90; 95.696; 90;  

COD ID: 4105678
CIF file Formula: - C93 F36 N S2 Sc3 -
Comments: Natalia B. Shustova; Dmitry V. Peryshkov; Igor V. Kuvychko; Yu-Sheng Chen; Mary A. Mackey; Curtis E. Coumbe; David T. Heaps; Bridget S. Confait; Thomas Heine; J. Paige Phillips; Steven Stevenson; Lothar Dunsch; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina Poly(perfluoroalkylation) of Metallic Nitride Fullerenes Reveals Addition-Pattern Guidelines: Synthesis and Characterization of a Family of Sc3N@C80(CF3)n (n = 2-16) and Their Radical Anions Journal of the American Chemical Society 133 (2011) 2672-2690
Space group: P 1 21/c 1
Cell volume: 6246.8
Cell parameters: 13.2899; 38.424; 13.5862; 90; 115.789; 90;  

COD ID: 4105679
CIF file Formula: - Ba4 Co2 Cu3.89 O4 S4 -
Comments: Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution Journal of the American Chemical Society 133 (2011) 2691-2705
Space group: I 4/m m m
Cell volume: 313.402
Cell parameters: 4.0711; 4.0711; 18.9094; 90; 90; 90;  

COD ID: 4105680
CIF file

HKL data

Formula: - Co -
Comments: Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution Journal of the American Chemical Society 133 (2011) 2691-2705
Space group: P 1
Cell volume: 560.08
Cell parameters: 5.6337; 5.6337; 17.6466; 90; 90; 90;  

COD ID: 4105681
CIF file

HKL data

Formula: - Cu -
Comments: Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution Journal of the American Chemical Society 133 (2011) 2691-2705
Space group: F m -3 m
Cell volume: 47.257
Cell parameters: 3.61538; 3.61538; 3.61538; 90; 90; 90;  

COD ID: 4105682
CIF file

HKL data

Formula: - Cu O -
Comments: Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution Journal of the American Chemical Society 133 (2011) 2691-2705
Space group: C 1 2/c 1
Cell volume: 81.97
Cell parameters: 4.649; 3.4382; 5.187; 90; 98.64; 90;  

COD ID: 4105683
CIF file

HKL data

Formula: - V -
Comments: Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution Journal of the American Chemical Society 133 (2011) 2691-2705
Space group: I m -3 m
Cell volume: 27.433
Cell parameters: 3.01596; 3.01596; 3.01596; 90; 90; 90;  

COD ID: 4105684
CIF file

HKL data

Formula: - Co -
Comments: Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution Journal of the American Chemical Society 133 (2011) 2691-2705
Space group: P 1
Cell volume: 564.29
Cell parameters: 5.6441; 5.6441; 17.7137; 90; 90; 90;  

COD ID: 4105685
CIF file

HKL data

Formula: - Cu O -
Comments: Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution Journal of the American Chemical Society 133 (2011) 2691-2705
Space group: C 1 2/c 1
Cell volume: 80.747
Cell parameters: 4.6809; 3.4176; 5.122; 90; 99.784; 90;  

COD ID: 4105686
CIF file

HKL data

Formula: - V -
Comments: Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution Journal of the American Chemical Society 133 (2011) 2691-2705
Space group: I m -3 m
Cell volume: 27.459
Cell parameters: 3.01691; 3.01691; 3.01691; 90; 90; 90;  

COD ID: 4105687
CIF file Formula: - C18 H15 Cl O4 -
Comments: Dorine Belmessieri; Louis C. Morrill; Carmen Simal; Alexandra M. Z. Slawin; Andrew D. Smith Organocatalytic Functionalization of Carboxylic Acids: Isothiourea-Catalyzed Asymmetric Intra- and Intermolecular Michael Addition-Lactonizations Journal of the American Chemical Society 133 (2011) 2714-2720
Space group: P 1 21 1
Cell volume: 807
Cell parameters: 9.998; 6.545; 13.109; 90; 109.81; 90;  

COD ID: 4105688
CIF file Formula: - C19 H15 Br O4 -
Comments: Dorine Belmessieri; Louis C. Morrill; Carmen Simal; Alexandra M. Z. Slawin; Andrew D. Smith Organocatalytic Functionalization of Carboxylic Acids: Isothiourea-Catalyzed Asymmetric Intra- and Intermolecular Michael Addition-Lactonizations Journal of the American Chemical Society 133 (2011) 2714-2720
Space group: P 21 21 21
Cell volume: 3271.2
Cell parameters: 6.3142; 19.786; 26.184; 90; 90; 90;  

COD ID: 4105689
CIF file Formula: - C27.4 H26.8 Cl0.8 N4 O7 -
Comments: Xue Gao; Yit-Heng Chooi; Brian D. Ames; Peng Wang; Christopher T. Walsh; Yi Tang Fungal Indole Alkaloid Biosynthesis: Genetic and Biochemical Investigation of the Tryptoquialanine Pathway in Penicillium aethiopicum Journal of the American Chemical Society 133 (2011) 2729-2741
Space group: C 2 2 21
Cell volume: 5453
Cell parameters: 14.158; 21.005; 18.336; 90; 90; 90;  

COD ID: 4105690
CIF file Formula: - C26.08 H27.16 N5 O4.36 -
Comments: Xue Gao; Yit-Heng Chooi; Brian D. Ames; Peng Wang; Christopher T. Walsh; Yi Tang Fungal Indole Alkaloid Biosynthesis: Genetic and Biochemical Investigation of the Tryptoquialanine Pathway in Penicillium aethiopicum Journal of the American Chemical Society 133 (2011) 2729-2741
Space group: P 63
Cell volume: 4556.3
Cell parameters: 21.974; 21.974; 10.8958; 90; 90; 120;  

COD ID: 4105691
CIF file Formula: - C21 H20 N2 O3 -
Comments: Keiji Mori; Shosaku Sueoka; Takahiko Akiyama Expeditious Construction of a Carbobicyclic Skeleton via sp3-C-H Functionalization: Hydride Shift from an Aliphatic Tertiary Position in an Internal Redox Process Journal of the American Chemical Society 133 (2011) 2424-2426
Space group: P 1 21/c 1
Cell volume: 1693.1
Cell parameters: 7.2644; 12.669; 18.735; 90; 100.899; 90;  

COD ID: 4105692
CIF file Formula: - C18 H22 N2 O3 -
Comments: Keiji Mori; Shosaku Sueoka; Takahiko Akiyama Expeditious Construction of a Carbobicyclic Skeleton via sp3-C-H Functionalization: Hydride Shift from an Aliphatic Tertiary Position in an Internal Redox Process Journal of the American Chemical Society 133 (2011) 2424-2426
Space group: F d d 2
Cell volume: 6566
Cell parameters: 15.822; 64.769; 6.4071; 90; 90; 90;  

COD ID: 4105693
CIF file Formula: - C97.3 H16.8 Cl1.4 S2.2 Sc2 -
Comments: Hiroki Kurihara; Xing Lu; Yuko Iiduka; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Takeshi Akasaka; Shigeru Nagase Sc2C2@C80 Rather than Sc2@C82: Templated Formation of Unexpected C2v(5)-C80 and Temperature-Dependent Dynamic Motion of Internal Sc2C2 Cluster Journal of the American Chemical Society 133 (2011) 2382-2385
Space group: P 1 21/n 1
Cell volume: 4982.36
Cell parameters: 10.9836; 21.6821; 21.2588; 90; 100.223; 90;  

COD ID: 4105694
CIF file Formula: - C145 H24 S6 -
Comments: Masakazu Nambo; Yasutomo Segawa; Kenichiro Itami Aziridinofullerene: A Versatile Platform for Functionalized Fullerenes Journal of the American Chemical Society 133 (2011) 2402-2405
Space group: P 1 21/a 1
Cell volume: 3792
Cell parameters: 9.976; 37.485; 10.185; 90; 95.426; 90;  

COD ID: 4105695
CIF file Formula: - C90 H29 N O4 S -
Comments: Masakazu Nambo; Yasutomo Segawa; Kenichiro Itami Aziridinofullerene: A Versatile Platform for Functionalized Fullerenes Journal of the American Chemical Society 133 (2011) 2402-2405
Space group: P 1 21/c 1
Cell volume: 5119
Cell parameters: 16.285; 19.242; 17.514; 90; 111.145; 90;  

COD ID: 4105696
CIF file Formula: - C65 H121 Br14 Cd10 N9 O19 Pt13 -
Comments: Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Stefano Zacchini; Salvatore Zarra Icosahedral Pt-Centered Pt13 and Pt19 Carbonyl Clusters Decorated by [Cd5(μ-Br)5Br5-x(solvent)x]x+ Rings Reminiscent of the Decoration of Au-Fe-CO and Au-Thiolate Nanoclusters: A Unifying Approach to Their Electron Counts Journal of the American Chemical Society 133 (2011) 2406-2409
Space group: C 1 2/c 1
Cell volume: 12712.2
Cell parameters: 26.1251; 15.6936; 32.851; 90; 109.296; 90;  

COD ID: 4105697
CIF file Formula: - C79 H84 Br14 Cd10 O25 P2 Pt19 -
Comments: Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Stefano Zacchini; Salvatore Zarra Icosahedral Pt-Centered Pt13 and Pt19 Carbonyl Clusters Decorated by [Cd5(μ-Br)5Br5-x(solvent)x]x+ Rings Reminiscent of the Decoration of Au-Fe-CO and Au-Thiolate Nanoclusters: A Unifying Approach to Their Electron Counts Journal of the American Chemical Society 133 (2011) 2406-2409
Space group: P 1 21/n 1
Cell volume: 15811
Cell parameters: 17.2308; 28.34; 32.657; 90; 97.478; 90;  

COD ID: 4105698
CIF file

HKL data

Formula: - Co Cu1.89 O2 S2 Sr2 -
Comments: Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution Journal of the American Chemical Society 133 (2011) 2691-2705
Space group: I 4/m m m
Cell volume: 280.014
Cell parameters: 3.983536; 3.983536; 17.64582; 90; 90; 90;  

COD ID: 4105699
CIF file

HKL data

Formula: - Co Cu1.98 O2 S2 Sr2 -
Comments: Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution Journal of the American Chemical Society 133 (2011) 2691-2705
Space group: I 4/m m m
Cell volume: 282.216
Cell parameters: 3.99129; 3.99129; 17.71555; 90; 90; 90;  

COD ID: 4105700
CIF file Formula: - C30 H34 Cl2 Ni P2 S2 -
Comments: Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands Journal of the American Chemical Society 133 (2011) 3023-3033
Space group: P 1 21/n 1
Cell volume: 1471.7
Cell parameters: 10.9469; 9.9127; 14.182; 90; 106.996; 90;  

COD ID: 4105701
CIF file Formula: - C32 H36 Cl6 Ni O8 P2 S2 -
Comments: Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands Journal of the American Chemical Society 133 (2011) 3023-3033
Space group: C 1 2/c 1
Cell volume: 8046.1
Cell parameters: 26.9346; 13.136; 25.7007; 90; 117.767; 90;  

COD ID: 4105702
CIF file Formula: - C94 H58 B2 F48 Ni P2 S2 -
Comments: Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands Journal of the American Chemical Society 133 (2011) 3023-3033
Space group: P -1
Cell volume: 2366.71
Cell parameters: 13.106; 13.9986; 14.1567; 97.644; 112.096; 93.661;  

COD ID: 4105703
CIF file Formula: - C32 H38 B2 Cl4 F8 Ni P2 S2 -
Comments: Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands Journal of the American Chemical Society 133 (2011) 3023-3033
Space group: P -1
Cell volume: 3987.4
Cell parameters: 13.2709; 14.7678; 23.4392; 89.618; 74.335; 65.263;  

COD ID: 4105704
CIF file Formula: - C30 H34 F12 Ni P4 S2 -
Comments: Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands Journal of the American Chemical Society 133 (2011) 3023-3033
Space group: P 1 21/n 1
Cell volume: 1734
Cell parameters: 10.363; 14.232; 11.796; 90; 94.676; 90;  

COD ID: 4105705
CIF file Formula: - C30 H34 Cl2 Ni O8 P2 S2 -
Comments: Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands Journal of the American Chemical Society 133 (2011) 3023-3033
Space group: P 1 21/n 1
Cell volume: 1635.07
Cell parameters: 10.2077; 13.9734; 11.4991; 90; 94.53; 90;  

COD ID: 4105706
CIF file Formula: - C52 H50 Cl2 Ni P2 S2 -
Comments: Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands Journal of the American Chemical Society 133 (2011) 3023-3033
Space group: P 1 21/c 1
Cell volume: 2192.5
Cell parameters: 15.378; 9.702; 15.2472; 90; 105.465; 90;  

COD ID: 4105707
CIF file Formula: - C54 H54 Cl5 F6 Ni P3 S2 -
Comments: Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands Journal of the American Chemical Society 133 (2011) 3023-3033
Space group: P 1 21/n 1
Cell volume: 5323.6
Cell parameters: 11.5619; 19.1526; 24.083; 90; 93.397; 90;  

COD ID: 4105708
CIF file Formula: - C54 H50 F6 Ni O6 P2 S4 -
Comments: Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands Journal of the American Chemical Society 133 (2011) 3023-3033
Space group: P 1 21/n 1
Cell volume: 5349.44
Cell parameters: 15.7062; 21.7494; 15.8611; 90; 99.135; 90;  

COD ID: 4105709
CIF file Formula: - C21 H22 Cl N O2 -
Comments: Ting Ma; Xiao Fu; Choon Wee Kee; Lili Zong; Yuanhang Pan; Kuo-Wei Huang; Choon-Hong Tan Pentanidium-Catalyzed Enantioselective Phase-Transfer Conjugate Addition Reactions Journal of the American Chemical Society 133 (2011) 2828-2831
Space group: P 1 21 1
Cell volume: 937.24
Cell parameters: 8.9481; 6.2416; 16.8398; 90; 94.779; 90;  

COD ID: 4105710
CIF file Formula: - C38 H46 Cl N5 O3 -
Comments: Ting Ma; Xiao Fu; Choon Wee Kee; Lili Zong; Yuanhang Pan; Kuo-Wei Huang; Choon-Hong Tan Pentanidium-Catalyzed Enantioselective Phase-Transfer Conjugate Addition Reactions Journal of the American Chemical Society 133 (2011) 2828-2831
Space group: P 21 21 21
Cell volume: 3652.7
Cell parameters: 10.1917; 17.7338; 20.2101; 90; 90; 90;  

COD ID: 4105711
CIF file Formula: - C498 H532 Cl34 N70 O87 -
Comments: Nicolas Delsuc; Stéphane Massip; Jean-Michel Léger; Brice Kauffmann; Ivan Huc Relative Helix-Helix Conformations in Branched Aromatic Oligoamide Foldamers Journal of the American Chemical Society 133 (2011) 3165-3172
Space group: P -1
Cell volume: 28821
Cell parameters: 29.831; 33.225; 34.49; 70.125; 80.486; 63.721;  

COD ID: 4105712
CIF file Formula: - C254 H244 Cl2 N38 O66 -
Comments: Nicolas Delsuc; Stéphane Massip; Jean-Michel Léger; Brice Kauffmann; Ivan Huc Relative Helix-Helix Conformations in Branched Aromatic Oligoamide Foldamers Journal of the American Chemical Society 133 (2011) 3165-3172
Space group: P -1
Cell volume: 16085
Cell parameters: 21.925; 27.301; 28.332; 91.736; 106.69; 97.015;  

COD ID: 4105713
CIF file Formula: - C310 H132 N46 O56 -
Comments: Nicolas Delsuc; Stéphane Massip; Jean-Michel Léger; Brice Kauffmann; Ivan Huc Relative Helix-Helix Conformations in Branched Aromatic Oligoamide Foldamers Journal of the American Chemical Society 133 (2011) 3165-3172
Space group: C 1 c 1
Cell volume: 33598
Cell parameters: 47.509; 29.741; 33.604; 90; 134.96; 90;  

COD ID: 4105714
CIF file Formula: - C41 H34 Cl2 I6.02 N12 O0.98 W2 -
Comments: Michael Nippe; Samuel M. Goodman; Charles G. Fry; John F. Berry Chemically Reversible Four-Electron Oxidation and Reduction Utilizing Two Inorganic Functional Groups Journal of the American Chemical Society 133 (2011) 2856-2859
Space group: P -1
Cell volume: 5154.8
Cell parameters: 16.361; 16.8722; 19.1403; 101.272; 92.969; 94.35;  

COD ID: 4105715
CIF file Formula: - C71 H65 B F3 N13 O5 S W2 -
Comments: Michael Nippe; Samuel M. Goodman; Charles G. Fry; John F. Berry Chemically Reversible Four-Electron Oxidation and Reduction Utilizing Two Inorganic Functional Groups Journal of the American Chemical Society 133 (2011) 2856-2859
Space group: P -1
Cell volume: 3327.3
Cell parameters: 14.0857; 15.7157; 16.9784; 71.752; 69.914; 77.51;  

COD ID: 4105716
CIF file Formula: - C42 H32 F6 N12 O6 S2 W2 -
Comments: Michael Nippe; Samuel M. Goodman; Charles G. Fry; John F. Berry Chemically Reversible Four-Electron Oxidation and Reduction Utilizing Two Inorganic Functional Groups Journal of the American Chemical Society 133 (2011) 2856-2859
Space group: C 1 2/c 1
Cell volume: 4238.8
Cell parameters: 21.6413; 12.797; 17.8278; 90; 120.848; 90;  

COD ID: 4105717
CIF file Formula: - C21 H41 N2 P Si3 -
Comments: Shigeyoshi Inoue; Wenyuan, Wang; Carsten Präsang; Matthew Asay; Elisabeth Irran; Matthias Driess An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene Journal of the American Chemical Society 133 (2011) 2868-2871
Space group: P 1 21/n 1
Cell volume: 2708.9
Cell parameters: 14.02; 11.5941; 17.583; 90; 108.598; 90;  

COD ID: 4105718
CIF file Formula: - C21 H41 N2 P Si3 -
Comments: Shigeyoshi Inoue; Wenyuan, Wang; Carsten Präsang; Matthew Asay; Elisabeth Irran; Matthias Driess An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene Journal of the American Chemical Society 133 (2011) 2868-2871
Space group: P b c a
Cell volume: 5506.3
Cell parameters: 19.3556; 14.2399; 19.9777; 90; 90; 90;  

COD ID: 4105719
CIF file Formula: - C44 H60 N4 P2 Si2 -
Comments: Shigeyoshi Inoue; Wenyuan, Wang; Carsten Präsang; Matthew Asay; Elisabeth Irran; Matthias Driess An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene Journal of the American Chemical Society 133 (2011) 2868-2871
Space group: C 1 2/c 1
Cell volume: 4470.4
Cell parameters: 23.841; 10.1993; 19.369; 90; 108.346; 90;  

COD ID: 4105720
CIF file Formula: - C47 H31.2 Cl3 Cu2 F24 N5 O9.6 -
Comments: Tamara D. Hamilton; Dejan-Krešimir Bučar; Jonas Baltrusaitis; Douglas R. Flanagan; Yingjian Li; Suman Ghorai; Alexei V. Tivanski; Leonard R. MacGillivray Thixotropic Hydrogel Derived from a Product of an Organic Solid-State Synthesis: Properties and Densities of Metal-Organic Nanoparticles Journal of the American Chemical Society 133 (2011) 3365-3371
Space group: P 1 21/c 1
Cell volume: 5780.3
Cell parameters: 15.5534; 17.954; 20.918; 90; 98.286; 90;  

COD ID: 4105721
CIF file Formula: - Cl9 Hg6 In2 P3 -
Comments: Xiao-Ming Jiang; Ming-Jian Zhang; Hui-Yi Zeng; Guo-Cong Guo; Jin-Shun Huang Inorganic Supramolecular Compounds with 3-D Chiral Frameworks Show Potential as Both Mid-IR Second-Order Nonlinear Optical and Piezoelectric Materials Journal of the American Chemical Society 133 (2011) 3410-3418
Space group: P 1 21 1
Cell volume: 1070.68
Cell parameters: 10.3014; 10.6935; 10.837; 90; 116.249; 90;  

COD ID: 4105722
CIF file Formula: - As4 Bi3 Cl13 Hg8 -
Comments: Xiao-Ming Jiang; Ming-Jian Zhang; Hui-Yi Zeng; Guo-Cong Guo; Jin-Shun Huang Inorganic Supramolecular Compounds with 3-D Chiral Frameworks Show Potential as Both Mid-IR Second-Order Nonlinear Optical and Piezoelectric Materials Journal of the American Chemical Society 133 (2011) 3410-3418
Space group: P 31 2 1
Cell volume: 4756.6
Cell parameters: 11.3324; 11.3324; 42.768; 90; 90; 120;  

COD ID: 4105723
CIF file Formula: - C74 H82 Br2 Cl16 Mn2 N12 Ni3 O14 -
Comments: Animesh Das; Klaus Gieb; Yulia Krupskaya; Serhiy Demeshko; Sebastian Dechert; Rüdiger Klingeler; Vladislav Kataev; Bernd Büchner; Paul Müller; Franc Meyer A New Family of 1D Exchange Biased Heterometal Single-Molecule Magnets: Observation of Pronounced Quantum Tunneling Steps in the Hysteresis Loops of Quasi-Linear {Mn2Ni3} Clusters Journal of the American Chemical Society 133 (2011) 3433-3443
Space group: P -1
Cell volume: 2271.8
Cell parameters: 13.2372; 13.2997; 14.6782; 91.803; 112.666; 105.47;  

COD ID: 4105724
CIF file Formula: - C11 H12 N2 O2 -
Comments: Animesh Das; Klaus Gieb; Yulia Krupskaya; Serhiy Demeshko; Sebastian Dechert; Rüdiger Klingeler; Vladislav Kataev; Bernd Büchner; Paul Müller; Franc Meyer A New Family of 1D Exchange Biased Heterometal Single-Molecule Magnets: Observation of Pronounced Quantum Tunneling Steps in the Hysteresis Loops of Quasi-Linear {Mn2Ni3} Clusters Journal of the American Chemical Society 133 (2011) 3433-3443
Space group: I -4
Cell volume: 2026.5
Cell parameters: 18.723; 18.723; 5.7808; 90; 90; 90;  

COD ID: 4105725
CIF file Formula: - C74 H76 Cl18 Mn2 N12 Ni3 O14 -
Comments: Animesh Das; Klaus Gieb; Yulia Krupskaya; Serhiy Demeshko; Sebastian Dechert; Rüdiger Klingeler; Vladislav Kataev; Bernd Büchner; Paul Müller; Franc Meyer A New Family of 1D Exchange Biased Heterometal Single-Molecule Magnets: Observation of Pronounced Quantum Tunneling Steps in the Hysteresis Loops of Quasi-Linear {Mn2Ni3} Clusters Journal of the American Chemical Society 133 (2011) 3433-3443
Space group: P -1
Cell volume: 2310.3
Cell parameters: 13.3948; 13.8821; 14.6735; 90.078; 115.446; 108.25;  

COD ID: 4105726
CIF file Formula: - C44 H54 Fe Mo N4 P4 -
Comments: Hiromasa Tanaka; Akira Sasada; Tomohisa Kouno; Masahiro Yuki; Yoshihiro Miyake; Haruyuki Nakanishi; Yoshiaki Nishibayashi; Kazunari Yoshizawa Molybdenum-Catalyzed Transformation of Molecular Dinitrogen into Silylamine: Experimental and DFT Study on the Remarkable Role of Ferrocenyldiphosphine Ligands Journal of the American Chemical Society 133 (2011) 3498-3506
Space group: P 1 21/n 1
Cell volume: 4252.5
Cell parameters: 10.509; 19.7053; 20.8672; 90; 100.23; 90;  

COD ID: 4105727
CIF file Formula: - C46.5 H49 B F10 N P -
Comments: Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination Journal of the American Chemical Society 133 (2011) 3480-3491
Space group: P -1
Cell volume: 2174.5
Cell parameters: 10.6333; 11.1091; 19.329; 101.818; 98.509; 98.229;  

COD ID: 4105728
CIF file Formula: - C24 H18 B F10 N -
Comments: Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination Journal of the American Chemical Society 133 (2011) 3480-3491
Space group: P 1 21/c 1
Cell volume: 2211.85
Cell parameters: 19.5277; 6.5056; 18.7809; 90; 112.021; 90;  

COD ID: 4105729
CIF file Formula: - C23 H16 B F10 N -
Comments: Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination Journal of the American Chemical Society 133 (2011) 3480-3491
Space group: P 1 21/c 1
Cell volume: 2106.4
Cell parameters: 19.0148; 6.3803; 18.4629; 90; 109.883; 90;  

COD ID: 4105730
CIF file Formula: - C24 H16 B F10 N -
Comments: Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination Journal of the American Chemical Society 133 (2011) 3480-3491
Space group: P -1
Cell volume: 1107.34
Cell parameters: 8.4497; 9.7617; 14.2402; 71.184; 84.869; 88.108;  

COD ID: 4105731
CIF file Formula: - C24 H16 B Cl2 F10 N -
Comments: Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination Journal of the American Chemical Society 133 (2011) 3480-3491
Space group: P -1
Cell volume: 1257.76
Cell parameters: 7.9357; 11.1685; 14.6427; 94.818; 91.78; 103.119;  

COD ID: 4105732
CIF file Formula: - C34.5 H32 B F10 N -
Comments: Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination Journal of the American Chemical Society 133 (2011) 3480-3491
Space group: C 1 2/c 1
Cell volume: 6352.6
Cell parameters: 16.518; 15.2872; 25.872; 90; 103.496; 90;  

COD ID: 4105733
CIF file Formula: - C24.5 H20 B Cl2 F10 N -
Comments: Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination Journal of the American Chemical Society 133 (2011) 3480-3491
Space group: P -1
Cell volume: 1427.4
Cell parameters: 9.4976; 12.4411; 12.8064; 88.834; 78.248; 74.602;  

COD ID: 4105734
CIF file Formula: - C35 H32 B F10 N O2 -
Comments: Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination Journal of the American Chemical Society 133 (2011) 3480-3491
Space group: P 1 21/n 1
Cell volume: 6501.4
Cell parameters: 20.4261; 10.3146; 31.7887; 90; 103.898; 90;  

COD ID: 4105735
CIF file Formula: - C24 H40 S4 Si2 U -
Comments: Nathan A. Siladke; Joseph W. Ziller; William J. Evans Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U Journal of the American Chemical Society 133 (2011) 3507-3516
Space group: C 1 2/c 1
Cell volume: 2803.7
Cell parameters: 19.6639; 8.7482; 17.194; 90; 108.577; 90;  

COD ID: 4105736
CIF file Formula: - C66 H108 N4 O4 Si4 U2 -
Comments: Nathan A. Siladke; Joseph W. Ziller; William J. Evans Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U Journal of the American Chemical Society 133 (2011) 3507-3516
Space group: C 1 2/c 1
Cell volume: 7078.2
Cell parameters: 14.9569; 19.1828; 24.774; 90; 95.2545; 90;  

COD ID: 4105737
CIF file Formula: - C36 H63 N3 Si2 U -
Comments: Nathan A. Siladke; Joseph W. Ziller; William J. Evans Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U Journal of the American Chemical Society 133 (2011) 3507-3516
Space group: P -1
Cell volume: 1864.45
Cell parameters: 10.8031; 12.6268; 14.8665; 92.118; 91.9633; 112.882;  

COD ID: 4105738
CIF file Formula: - C34 H58 N2 Si2 U -
Comments: Nathan A. Siladke; Joseph W. Ziller; William J. Evans Insertion, Isomerization, and Cascade Reactivity of the Tethered Silylalkyl Uranium Metallocene (η5-C5Me4SiMe2CH2-κC)2U Journal of the American Chemical Society 133 (2011) 3507-3516
Space group: P 1 21/c 1
Cell volume: 3347.6
Cell parameters: 10.0856; 17.4636; 19.6548; 90; 104.761; 90;  

COD ID: 4105739
CIF file Formula: - C19 H20 N2 O4 S -
Comments: Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones Journal of the American Chemical Society 133 (2011) 3517-3527
Space group: P 31 2 1
Cell volume: 2775.9
Cell parameters: 9.3905; 9.3905; 36.349; 90; 90; 120;  

COD ID: 4105740
CIF file Formula: - C26 H26 N2 O4 S -
Comments: Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones Journal of the American Chemical Society 133 (2011) 3517-3527
Space group: P 21 21 21
Cell volume: 2765.8
Cell parameters: 6.4038; 19.3388; 22.3333; 90; 90; 90;  

COD ID: 4105741
CIF file Formula: - C50 H52 Au2 Cl4 P2 -
Comments: Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones Journal of the American Chemical Society 133 (2011) 3517-3527
Space group: P 43 21 2
Cell volume: 4952.4
Cell parameters: 13.6511; 13.6511; 26.5755; 90; 90; 90;  

COD ID: 4105742
CIF file Formula: - C48 H58 B Co F6 Fe N13 O2 P -
Comments: 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 133 (2011) 3592-3600
Space group: P -1
Cell volume: 2788.9
Cell parameters: 12.415; 14.797; 17.908; 113.658; 97.462; 105.884;  

COD ID: 4105743
CIF file Formula: - C220 H296 B4 Co4 F24 Fe4 N52 O4 P4 -
Comments: 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 133 (2011) 3592-3600
Space group: C 1 2/c 1
Cell volume: 52365
Cell parameters: 49.4505; 38.6559; 29.9596; 90; 113.884; 90;  

COD ID: 4105744
CIF file Formula: - C39 H42 B Co F6 Fe N13 O P -
Comments: 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 133 (2011) 3592-3600
Space group: P 1 21/n 1
Cell volume: 4191
Cell parameters: 14.255; 12.02; 25.401; 90; 105.657; 90;  

COD ID: 4105745
CIF file Formula: - C38 H30 F3 I P2 Pd -
Comments: Masato Ohashi; Tadashi Kambara; Tsubasa Hatanaka; Hiroki Saijo; Ryohei Doi; Sensuke Ogoshi Palladium-Catalyzed Coupling Reactions of Tetrafluoroethylene with Arylzinc Compounds Journal of the American Chemical Society 133 (2011) 3256-3259
Space group: P 1 21/n 1
Cell volume: 3418.4
Cell parameters: 12.04; 22.7606; 13.3116; 90; 110.433; 90;  

COD ID: 4105746
CIF file Formula: - C83 H60 F8 P4 Pd2 -
Comments: Masato Ohashi; Tadashi Kambara; Tsubasa Hatanaka; Hiroki Saijo; Ryohei Doi; Sensuke Ogoshi Palladium-Catalyzed Coupling Reactions of Tetrafluoroethylene with Arylzinc Compounds Journal of the American Chemical Society 133 (2011) 3256-3259
Space group: P 1 21/c 1
Cell volume: 3570.9
Cell parameters: 18.0191; 9.5138; 20.8353; 90; 91.319; 90;  

COD ID: 4105747
CIF file Formula: - C31 H27 N O -
Comments: Yoshiaki Nakao; Eiji Morita; Hiroaki Idei; Tamejiro Hiyama Dehydrogenative [4 + 2] Cycloaddition of Formamides with Alkynes through Double C-H Activation Journal of the American Chemical Society 133 (2011) 3264-3267
Space group: P 21 21 21
Cell volume: 2398
Cell parameters: 9.772; 10.0074; 24.521; 90; 90; 90;  

COD ID: 4105748
CIF file Formula: - C28 H31 N O Si -
Comments: Yoshiaki Nakao; Eiji Morita; Hiroaki Idei; Tamejiro Hiyama Dehydrogenative [4 + 2] Cycloaddition of Formamides with Alkynes through Double C-H Activation Journal of the American Chemical Society 133 (2011) 3264-3267
Space group: P 21 21 21
Cell volume: 2537
Cell parameters: 9.7598; 10.5782; 24.5736; 90; 90; 90;  

COD ID: 4105749
CIF file Formula: - C24 H29 N O -
Comments: Yoshiaki Nakao; Eiji Morita; Hiroaki Idei; Tamejiro Hiyama Dehydrogenative [4 + 2] Cycloaddition of Formamides with Alkynes through Double C-H Activation Journal of the American Chemical Society 133 (2011) 3264-3267
Space group: P 1 21/c 1
Cell volume: 2074.1
Cell parameters: 11.0019; 17.2179; 10.9544; 90; 91.746; 90;  

COD ID: 4105750
CIF file Formula: - C285.5 H373 Cl27 N16 O36.5 -
Comments: Junling Sun; James L. Bennett; Thomas J. Emge; Ralf Warmuth Thermodynamically Controlled Synthesis of a Chiral Tetra-cavitand Nanocapsule and Mechanism of Enantiomerization. Journal of the American Chemical Society 133 (2011) 3268-3271
Space group: P -1
Cell volume: 14454.2
Cell parameters: 19.4713; 21.8175; 38.491; 77.593; 87.137; 64.968;  

COD ID: 4105751
CIF file Formula: - C45 H44 O2 P2 Pd2 -
Comments: Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2 Journal of the American Chemical Society 133 (2011) 3280-3283
Space group: P -1
Cell volume: 2013.9
Cell parameters: 10.6295; 14.1773; 14.8586; 96.988; 106.604; 105.952;  

COD ID: 4105752
CIF file Formula: - C18 H40 P2 Pd2 -
Comments: Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2 Journal of the American Chemical Society 133 (2011) 3280-3283
Space group: P 1 21/c 1
Cell volume: 2301.9
Cell parameters: 13.218; 10.4537; 17.73; 90; 110.013; 90;  

COD ID: 4105753
CIF file Formula: - C20 H44 P2 Pd2 -
Comments: Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2 Journal of the American Chemical Society 133 (2011) 3280-3283
Space group: P 1 21/n 1
Cell volume: 2474.8
Cell parameters: 13.942; 13.634; 14.518; 90; 116.264; 90;  

COD ID: 4105754
CIF file Formula: - C60 H82 N4 Pd2 -
Comments: Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2 Journal of the American Chemical Society 133 (2011) 3280-3283
Space group: I 1 2/a 1
Cell volume: 5593.8
Cell parameters: 19.5182; 12.1763; 24.6715; 90; 107.442; 90;  

COD ID: 4105755
CIF file Formula: - C54 H72 N4 Pd -
Comments: Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2 Journal of the American Chemical Society 133 (2011) 3280-3283
Space group: P 1 21/c 1
Cell volume: 4747.2
Cell parameters: 14.9251; 12.7222; 25.002; 90; 90.531; 90;  

COD ID: 4105756
CIF file Formula: - C15 H32 O2 P2 Pd2 -
Comments: Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2 Journal of the American Chemical Society 133 (2011) 3280-3283
Space group: P 1 21 1
Cell volume: 1074.8
Cell parameters: 9.659; 11.105; 10.452; 90; 106.529; 90;  

COD ID: 4105757
CIF file Formula: - C12 H7 I O2 -
Comments: Yuta Fujiwara; Victoriano Domingo; Ian B. Seiple; Ryan Gianatassio; Matthew Del Bel; Phil S. Baran Practical C-H Functionalization of Quinones with Boronic Acids Journal of the American Chemical Society 133 (2011) 3292-3295
Space group: P 1 21/n 1
Cell volume: 1042.6
Cell parameters: 5.8343; 7.5006; 23.903; 90; 94.66; 90;  

COD ID: 4105758
CIF file Formula: - C15 H15 N O2 -
Comments: Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis Journal of the American Chemical Society 133 (2011) 3304-3307
Space group: P 21 21 21
Cell volume: 1336.93
Cell parameters: 5.4994; 11.142; 21.8188; 90; 90; 90;  

COD ID: 4105759
CIF file Formula: - C15 H14 Br N O2 -
Comments: Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis Journal of the American Chemical Society 133 (2011) 3304-3307
Space group: P 21 21 21
Cell volume: 1453.76
Cell parameters: 5.766; 13.9219; 18.1101; 90; 90; 90;  

COD ID: 4105760
CIF file Formula: - C18 H23 N O2 S -
Comments: Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis Journal of the American Chemical Society 133 (2011) 3304-3307
Space group: P 21 21 21
Cell volume: 1788.47
Cell parameters: 5.5837; 11.977; 26.7431; 90; 90; 90;  

COD ID: 4105761
CIF file Formula: - C24 H43 O2 P Pd -
Comments: Yichen Tan; John F. Hartwig Assessment of the Intermediacy of Arylpalladium Carboxylate Complexes in the Direct Arylation of Benzene: Evidence for C-H Bond Cleavage by "Ligandless" Species Journal of the American Chemical Society 133 (2011) 3308-3311
Space group: P -1
Cell volume: 2544.5
Cell parameters: 10.9975; 12.0887; 21.6801; 94.415; 94.031; 116.913;  

COD ID: 4105762
CIF file Formula: - C41 H43 B Cl2 F4 N2 -
Comments: Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda Enantioselective Synthesis of Homoallylic Amines through Reactions of (Pinacolato)allylborons with Aryl-, Heteroaryl-, Alkyl-, or Alkene-Substituted Aldimines Catalyzed by Chiral C1-Symmetric NHC-Cu Complexes Journal of the American Chemical Society 133 (2011) 3332-3335
Space group: P 1 21 1
Cell volume: 1855.8
Cell parameters: 9.4246; 17.954; 11.732; 90; 110.801; 90;  

COD ID: 4105763
CIF file Formula: - C22 H22 N O P -
Comments: Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda Enantioselective Synthesis of Homoallylic Amines through Reactions of (Pinacolato)allylborons with Aryl-, Heteroaryl-, Alkyl-, or Alkene-Substituted Aldimines Catalyzed by Chiral C1-Symmetric NHC-Cu Complexes Journal of the American Chemical Society 133 (2011) 3332-3335
Space group: P 1
Cell volume: 1896.84
Cell parameters: 8.6853; 11.3946; 20.2971; 74.297; 79.005; 89.123;  

COD ID: 4105764
CIF file Formula: - C49 H81 Fe3 N6 O Si3 -
Comments: Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]- Journal of the American Chemical Society 133 (2011) 3336-3338
Space group: P -1
Cell volume: 2599.1
Cell parameters: 10.6174; 10.85; 23.503; 84.54; 83.122; 75.734;  

COD ID: 4105765
CIF file Formula: - C62 H111 Fe3 N8 O Si3 -
Comments: Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]- Journal of the American Chemical Society 133 (2011) 3336-3338
Space group: C 1 c 1
Cell volume: 6780.9
Cell parameters: 26.559; 11.6673; 23.123; 90; 108.849; 90;  

COD ID: 4105766
CIF file Formula: - C43 H69 Fe3 N7 Si3 -
Comments: Tamara M. Powers; Alison R. Fout; Shao-Liang Zheng; Theodore A. Betley Oxidative Group Transfer to a Triiron Complex to Form a Nucleophilic μ3-Nitride, [Fe3(μ3-N)]- Journal of the American Chemical Society 133 (2011) 3336-3338
Space group: P -1
Cell volume: 2344.8
Cell parameters: 10.057; 11.562; 20.327; 82.832; 89.866; 89.039;  

COD ID: 4105767
CIF file Formula: - C119 H82 Cl6 Cu4 I4 N12 -
Comments: Zhiwei Liu; Munzarin F. Qayyum; Chao Wu; Matthew T. Whited; Peter I. Djurovich; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Mark E. Thompson A Codeposition Route to CuI-Pyridine Coordination Complexes for Organic Light-Emitting Diodes Journal of the American Chemical Society 133 (2011) 3700-3703
Space group: P 1 21/c 1
Cell volume: 10889
Cell parameters: 24.281; 14.6355; 31.244; 90; 101.259; 90;  

COD ID: 4105768
CIF file Formula: - C13 H28 Co F12 N5 P2 S -
Comments: Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates Journal of the American Chemical Society 133 (2011) 3954-3963
Space group: P 1 21/c 1
Cell volume: 2384.98
Cell parameters: 8.074; 16.133; 18.627; 90; 100.591; 90;  

COD ID: 4105769
CIF file Formula: - C11 H26 Co F6 N4 O P S -
Comments: Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates Journal of the American Chemical Society 133 (2011) 3954-3963
Space group: P n m a
Cell volume: 1784.5
Cell parameters: 13.489; 8.7463; 15.1258; 90; 90; 90;  

COD ID: 4105770
CIF file Formula: - C13 H29 Co F6 N5 O P S -
Comments: Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates Journal of the American Chemical Society 133 (2011) 3954-3963
Space group: P 21 21 21
Cell volume: 2028.2
Cell parameters: 7.576; 14.5673; 18.378; 90; 90; 90;  

COD ID: 4105771
CIF file Formula: - C15 H30 Co F6 N5 O8 S2 -
Comments: Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates Journal of the American Chemical Society 133 (2011) 3954-3963
Space group: P 1 21/c 1
Cell volume: 2497.3
Cell parameters: 8.579; 8.356; 34.839; 90; 90.581; 90;  

COD ID: 4105772
CIF file Formula: - C36 H65 Co2 F12 N13 O14 S4 -
Comments: Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates Journal of the American Chemical Society 133 (2011) 3954-3963
Space group: P 1
Cell volume: 1466.82
Cell parameters: 8.4743; 9.9717; 19.2114; 92.846; 94.772; 114.413;  

COD ID: 4105773
CIF file Formula: - C17 H16 O -
Comments: Magnus Rueping; Uxue Uria; Ming-Yuan Lin; Iuliana Atodiresei Chiral Organic Contact Ion Pairs in Metal-Free Catalytic Asymmetric Allylic Substitutions Journal of the American Chemical Society 133 (2011) 3732-3735
Space group: P 21 21 21
Cell volume: 1259.12
Cell parameters: 5.7947; 8.2165; 26.4454; 90; 90; 90;  

COD ID: 4105774
CIF file Formula: - C22 H29 B Br2 O3 Si -
Comments: Kazuta Ito; Hiroto Tamashima; Nobuharu Iwasawa; Hiroyuki Kusama Photochemically Promoted Transition Metal-Free Cross-Coupling of Acylsilanes with Organoboronic Esters Journal of the American Chemical Society 133 (2011) 3716-3719
Space group: P -1
Cell volume: 1235.1
Cell parameters: 11.106; 11.266; 11.436; 98.365; 111.26; 105.751;  

COD ID: 4105775
CIF file Formula: - C17 H24 O -
Comments: Guobi Chai; Shangze Wu; Chunling Fu; Shengming Ma A Straightforward Synthesis of Cyclobutenones via a Tandem Michael Addition/Cyclization Reaction of 2,3-Allenoates with Organozincs Journal of the American Chemical Society 133 (2011) 3740-3743
Space group: P -1
Cell volume: 2996.6
Cell parameters: 12.285; 16.5578; 16.7837; 74.767; 71.089; 70.386;  

COD ID: 4105776
CIF file Formula: - C18 H16 O -
Comments: Guobi Chai; Shangze Wu; Chunling Fu; Shengming Ma A Straightforward Synthesis of Cyclobutenones via a Tandem Michael Addition/Cyclization Reaction of 2,3-Allenoates with Organozincs Journal of the American Chemical Society 133 (2011) 3740-3743
Space group: P 1 21/n 1
Cell volume: 1382.3
Cell parameters: 9.0113; 9.5129; 16.236; 90; 96.7; 90;  

COD ID: 4105777
CIF file Formula: - C13 H31 P3 S W -
Comments: Aaron Sattler; Gerard Parkin Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten Journal of the American Chemical Society 133 (2011) 3748-3751
Space group: P n a 21
Cell volume: 1883.6
Cell parameters: 21.784; 10.1799; 8.4941; 90; 90; 90;  

COD ID: 4105778
CIF file Formula: - C16 H42 P4 S W -
Comments: Aaron Sattler; Gerard Parkin Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten Journal of the American Chemical Society 133 (2011) 3748-3751
Space group: P c c n
Cell volume: 4842.8
Cell parameters: 16.282; 32.499; 9.152; 90; 90; 90;  

COD ID: 4105779
CIF file Formula: - C20 H42 P4 S W -
Comments: Aaron Sattler; Gerard Parkin Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten Journal of the American Chemical Society 133 (2011) 3748-3751
Space group: P 1 21/c 1
Cell volume: 5150.3
Cell parameters: 14.6865; 19.5; 18.62; 90; 105.02; 90;  

COD ID: 4105780
CIF file Formula: - C20 H44 P4 S W -
Comments: Aaron Sattler; Gerard Parkin Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten Journal of the American Chemical Society 133 (2011) 3748-3751
Space group: P 1 21/n 1
Cell volume: 5322.8
Cell parameters: 18.507; 15.22; 19.118; 90; 98.724; 90;  

COD ID: 4105781
CIF file Formula: - C20 H48 P4 S W -
Comments: Aaron Sattler; Gerard Parkin Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten Journal of the American Chemical Society 133 (2011) 3748-3751
Space group: P -1
Cell volume: 1414.6
Cell parameters: 9.6343; 12.1821; 13.596; 85.772; 72.371; 68.587;  

COD ID: 4105782
CIF file Formula: - C20 H44 P4 S W -
Comments: Aaron Sattler; Gerard Parkin Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten Journal of the American Chemical Society 133 (2011) 3748-3751
Space group: P -1
Cell volume: 1352.8
Cell parameters: 8.997; 10.0679; 15.782; 80.769; 73.792; 84.386;  

COD ID: 4105783
CIF file Formula: - C29 H58 P6 S W2 -
Comments: Aaron Sattler; Gerard Parkin Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten Journal of the American Chemical Society 133 (2011) 3748-3751
Space group: P 1 21/n 1
Cell volume: 3741.1
Cell parameters: 10.2637; 21.784; 16.7801; 90; 94.326; 90;  

COD ID: 4105784
CIF file Formula: - C84 H134 Ag16 N11 O60 P8 V8 -
Comments: Yun-Peng Xie; Thomas C. W. Mak Silver(I)-Ethynide Clusters Constructed with Phosphonate-Functionized Polyoxovanadates Journal of the American Chemical Society 133 (2011) 3760-3763
Space group: P 1 21/c 1
Cell volume: 7729
Cell parameters: 17.396; 25.696; 22.829; 90; 130.765; 90;  

COD ID: 4105785
CIF file Formula: - C233 H284 Ag43 N11 O97 P12 V18 -
Comments: Yun-Peng Xie; Thomas C. W. Mak Silver(I)-Ethynide Clusters Constructed with Phosphonate-Functionized Polyoxovanadates Journal of the American Chemical Society 133 (2011) 3760-3763
Space group: P 1 21 1
Cell volume: 17778
Cell parameters: 23.597; 23.139; 33.025; 90; 99.636; 90;  

COD ID: 4105786
CIF file Formula: - C29 H36 N2 O8 Rh2 -
Comments: Kwak, Jaesung; Kim, Min; Chang, Sukbok Rh(NHC)-Catalyzed Direct and Selective Arylation of Quinolines at the 8-Position Journal of the American Chemical Society 133(11) (2011) 3780-3783
Space group: P -1
Cell volume: 2890.79
Cell parameters: 8.3414; 16.7694; 21.3895; 94.67; 91.852; 103.881;  

COD ID: 4105787
CIF file Formula: - C39 H98 N6 O2 Si8 Y2 -
Comments: Ming Fang; David S. Lee; Joseph W. Ziller; Robert J. Doedens; Jefferson E. Bates; Filipp Furche; William J. Evans Synthesis of the (N2)3- Radical from Y2+ and Its Protonolysis Reactivity To Form (N2H2)2- via the Y[N(SiMe3)2]3/KC8 Reduction System Journal of the American Chemical Society 133 (2011) 3784-3787
Space group: P -1
Cell volume: 1518.5
Cell parameters: 11.6254; 12.3668; 12.9283; 102.254; 110.145; 110.139;  

COD ID: 4105788
CIF file Formula: - C32 H90 N6 O2 Si8 Y2 -
Comments: Ming Fang; David S. Lee; Joseph W. Ziller; Robert J. Doedens; Jefferson E. Bates; Filipp Furche; William J. Evans Synthesis of the (N2)3- Radical from Y2+ and Its Protonolysis Reactivity To Form (N2H2)2- via the Y[N(SiMe3)2]3/KC8 Reduction System Journal of the American Chemical Society 133 (2011) 3784-3787
Space group: P 1 21/c 1
Cell volume: 2742.4
Cell parameters: 12.6045; 20.6981; 10.7025; 90; 100.839; 90;  

COD ID: 4105789
CIF file Formula: - C32 H88 Gd2 N6 O2 Si8 -
Comments: Ming Fang; David S. Lee; Joseph W. Ziller; Robert J. Doedens; Jefferson E. Bates; Filipp Furche; William J. Evans Synthesis of the (N2)3- Radical from Y2+ and Its Protonolysis Reactivity To Form (N2H2)2- via the Y[N(SiMe3)2]3/KC8 Reduction System Journal of the American Chemical Society 133 (2011) 3784-3787
Space group: P 1 21/n 1
Cell volume: 2730.1
Cell parameters: 10.865; 23.466; 11.602; 90; 112.64; 90;  

COD ID: 4105790
CIF file Formula: - Cr H12 N3 O8 -
Comments: Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics Journal of the American Chemical Society 133 (2011) 3792-3795
Space group: I -4 2 m
Cell volume: 392.82
Cell parameters: 6.9951; 6.9951; 8.028; 90; 90; 90;  

COD ID: 4105791
CIF file Formula: - Cr H12 N3 O8 -
Comments: Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics Journal of the American Chemical Society 133 (2011) 3792-3795
Space group: C m c 21
Cell volume: 785.55
Cell parameters: 9.8893; 9.889; 8.0326; 90; 90; 90;  

COD ID: 4105792
CIF file Formula: - Cr H12 N3 O8 -
Comments: Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics Journal of the American Chemical Society 133 (2011) 3792-3795
Space group: P 1
Cell volume: 803
Cell parameters: 10; 10.0176; 8.0201; 90.013; 90.008; 90.004;  

COD ID: 4105793
CIF file Formula: - Cr H8 N2 O8 Rb -
Comments: Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics Journal of the American Chemical Society 133 (2011) 3792-3795
Space group: I -4 2 m
Cell volume: 385.79
Cell parameters: 6.9862; 6.9862; 7.9044; 90; 90; 90;  

COD ID: 4105794
CIF file Formula: - Cr Cs H8 N2 O8 -
Comments: Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics Journal of the American Chemical Society 133 (2011) 3792-3795
Space group: I -4 2 m
Cell volume: 405
Cell parameters: 7.0386; 7.0386; 8.1748; 90; 90; 90;  

COD ID: 4105795
CIF file Formula: - C90 H4 Cl8 La2 N4 O -
Comments: Michio Yamada; Mari Minowa; Satoru Sato; Zdenek Slanina; Takahiro Tsuchiya; Yutaka Maeda; Shigeru Nagase; Takeshi Akasaka Regioselective Cycloaddition of La2@Ih-C80 with Tetracyanoethylene Oxide: Formation of an Endohedral Dimetallofullerene Adduct Featuring Enhanced Electron-Accepting Character Journal of the American Chemical Society 133 (2011) 3796-3799
Space group: P n m a
Cell volume: 5186.8
Cell parameters: 21.394; 17.58; 13.7909; 90; 90; 90;  

COD ID: 4105796
CIF file Formula: - C64 H46 Cl6 N2 O6 Pt2 -
Comments: Emmanuel Anger; Mark Rudolph; Chengshuo Shen; Nicolas Vanthuyne; Loïc Toupet; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau From Hetero- to Homochiral Bis(metallahelicene)s Based on a PtIII-PtIII Bonded Scaffold: Isomerization, Structure, and Chiroptical Properties Journal of the American Chemical Society 133 (2011) 3800-3803
Space group: P 1 21/n 1
Cell volume: 5613.5
Cell parameters: 14.8232; 25.049; 15.2283; 90; 96.895; 90;  

COD ID: 4105797
CIF file Formula: - C65 H45 Cl11 N2 O6 Pt2 -
Comments: Emmanuel Anger; Mark Rudolph; Chengshuo Shen; Nicolas Vanthuyne; Loïc Toupet; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau From Hetero- to Homochiral Bis(metallahelicene)s Based on a PtIII-PtIII Bonded Scaffold: Isomerization, Structure, and Chiroptical Properties Journal of the American Chemical Society 133 (2011) 3800-3803
Space group: P -1
Cell volume: 3194.5
Cell parameters: 12.765; 14.6415; 17.5626; 92.314; 99.295; 98.755;  

COD ID: 4105798
CIF file Formula: - C27 H24 Cl3 N O2 Pt S -
Comments: Emmanuel Anger; Mark Rudolph; Chengshuo Shen; Nicolas Vanthuyne; Loïc Toupet; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau From Hetero- to Homochiral Bis(metallahelicene)s Based on a PtIII-PtIII Bonded Scaffold: Isomerization, Structure, and Chiroptical Properties Journal of the American Chemical Society 133 (2011) 3800-3803
Space group: P b c a
Cell volume: 5197.79
Cell parameters: 9.5249; 20.4922; 26.6299; 90; 90; 90;  


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