Crystallography Open Database

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Searching journal of publication like 'Journal of the American Chemical Society' volume of publication is 123

COD ID: 2000099
CIF file Formula: - C94.5 H96.5 B2 N6.5 Ni2 O7 S2 -
Comments: Catherine Belle; Catherine Bougault; Marie-Thérèse Averbuch; André Durif; Jean-Louis Pierre; Jean-Marc Latour; Laurent Le Pape Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes. Controlled Synthesis, Structural, Electronic, and Magnetic Properties of Dinuclear vs Mononuclear Species Journal of the American Chemical Society 123(33) (2001) 8053-8066
Space group: P -1
Cell volume: 8790.67
Cell parameters: 18.128; 20.224; 26.221; 101.3; 104.07; 102.37;  

COD ID: 4115409
CIF file Formula: - C32 H42 Fe N4 O8 -
Comments: Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization Journal of the American Chemical Society 123 (2001) 68-75
Space group: I 41
Cell volume: 3175.6
Cell parameters: 14.573; 14.5731; 14.953; 90; 90; 90;  

COD ID: 4115410
CIF file Formula: - C32 H46 Fe N4 O8 -
Comments: Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization Journal of the American Chemical Society 123 (2001) 68-75
Space group: P 1
Cell volume: 861.05
Cell parameters: 9.294; 11.783; 8.924; 98.65; 116.481; 81.41;  

COD ID: 4115411
CIF file Formula: - C38 H42 Fe N4 O8 -
Comments: Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization Journal of the American Chemical Society 123 (2001) 68-75
Space group: C 2 2 21
Cell volume: 3781.2
Cell parameters: 10.8188; 21.434; 16.306; 90; 90; 90;  

COD ID: 4115412
CIF file Formula: - C19 H32 K O6 -
Comments: Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts Journal of the American Chemical Society 123 (2001) 189-190
Space group: P n a 21
Cell volume: 2135.5
Cell parameters: 19.7525; 9.8664; 10.9577; 90; 90; 90;  

COD ID: 4115413
CIF file Formula: - C36 H60 K2 O12 -
Comments: Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts Journal of the American Chemical Society 123 (2001) 189-190
Space group: P n m a
Cell volume: 3904.1
Cell parameters: 26.1009; 16.3832; 9.13; 90; 90; 90;  

COD ID: 4115414
CIF file Formula: - C17 H30 K O7 -
Comments: Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts Journal of the American Chemical Society 123 (2001) 189-190
Space group: C 1 2/c 1
Cell volume: 4072
Cell parameters: 26.6844; 8.5157; 22.0803; 90; 125.751; 90;  

COD ID: 4115415
CIF file Formula: - C10 H8 Br2 Fe0.5 S4 Se4 -
Comments: Hideki Fujiwara; Emiko Fujiwara; Yasuhiro Nakazawa; Bakhyt Zh. Narymbetov; Kiyonori Kato; Hayao Kobayashi; Akiko Kobayashi; Madoka Tokumoto; Patrick Cassoux A Novel Antiferromagnetic Organic Superconductor κ-(BETS)2FeBr4 [Where BETS = Bis(ethylenedithio)tetraselenafulvalene] Journal of the American Chemical Society 123 (2001) 306-314
Space group: P n m a
Cell volume: 3669
Cell parameters: 11.787; 36.607; 8.504; 90; 90; 90;  

COD ID: 4115416
CIF file Formula: - C26 H65 Fe5 O14 -
Comments: Brendan J. O'Keefe; Susanne M. Monnier; Marc A. Hillmyer; William B. Tolman Rapid and Controlled Polymerization of Lactide by Structurally Characterized Ferric Alkoxides Journal of the American Chemical Society 123 (2001) 339-340
Space group: P -1
Cell volume: 2029.2
Cell parameters: 11.7472; 12.1672; 15.8347; 99.2118; 101.262; 109.507;  

COD ID: 4115417
CIF file Formula: - C54 H66 Fe2 O6 -
Comments: Brendan J. O'Keefe; Susanne M. Monnier; Marc A. Hillmyer; William B. Tolman Rapid and Controlled Polymerization of Lactide by Structurally Characterized Ferric Alkoxides Journal of the American Chemical Society 123 (2001) 339-340
Space group: P 1 21/c 1
Cell volume: 2413.2
Cell parameters: 12.6689; 19.7686; 9.9959; 90; 105.434; 90;  

COD ID: 4115418
CIF file Formula: - C32 H38 F2 N2 Si3 -
Comments: Eike Gellermann; Uwe Klingebiel; Mathias Noltemeyer; Stefan Schmatz Silyl Group Insertion into the N-N Bond: Experimental and Quantum Chemical Results Journal of the American Chemical Society 123 (2001) 378-382
Space group: P 1 21 1
Cell volume: 1534.4
Cell parameters: 8.4817; 11.1925; 16.342; 90; 98.482; 90;  

COD ID: 4115419
CIF file Formula: - C24 H30 Cl Cu3 N13 O14 -
Comments: Leandro C. Tabares; Jorge A. R. Navarro; Juan M. Salas Cooperative Guest Inclusion by a Zeolite Analogue Coordination Polymer. Sorption Behavior with Gases and Amine and Group 1 Metal Salts Journal of the American Chemical Society 123 (2001) 383-387
Space group: P n -3 m :2
Cell volume: 3914.43
Cell parameters: 15.76; 15.76; 15.76; 90; 90; 90;  

COD ID: 4115420
CIF file Formula: - C28 H47 Br N2 Ru2 -
Comments: Hideo Kondo; Yoshitaka Yamaguchi; Hideo Nagashima (η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(X)(η5-C5Me5): An Unusual Bonding Mode of μ2-Amidinate Ligand Providing the First Unequivocal Evidence for Coordinating Ability of π-Conjugate Electrons of the Amidinate Ligands to Transition Metals Journal of the American Chemical Society 123 (2001) 500-501
Space group: P 1 21/n 1
Cell volume: 2879.96
Cell parameters: 9.7616; 15.8832; 18.6844; 90; 96.205; 90;  

COD ID: 4115421
CIF file Formula: - C38 H58 Br N3 -
Comments: Hideo Kondo; Yoshitaka Yamaguchi; Hideo Nagashima (η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(X)(η5-C5Me5): An Unusual Bonding Mode of μ2-Amidinate Ligand Providing the First Unequivocal Evidence for Coordinating Ability of π-Conjugate Electrons of the Amidinate Ligands to Transition Metals Journal of the American Chemical Society 123 (2001) 500-501
Space group: P 1 21/n 1
Cell volume: 3761
Cell parameters: 9.5292; 23.655; 17.134; 90; 103.147; 90;  

COD ID: 4115422
CIF file Formula: - C15 H21 Br O -
Comments: Sergey N. Fedorov; Oleg S. Radchenko; Larisa K. Shubina; Anatoly I. Kalinovsky; Andrey V. Gerasimenko; Dmitry Y. Popov; Valentin A. Stonik Aplydactone, a New Sesquiterpenoid with an Unprecedented Carbon Skeleton from the Sea Hare Aplysia dactylomela, and Its Cargill-Like Rearrangement Journal of the American Chemical Society 123 (2001) 504-505
Space group: P 1 21 1
Cell volume: 679.64
Cell parameters: 7.1894; 12.3968; 7.6376; 90; 93.202; 90;  

COD ID: 4115423
CIF file Formula: - C4 F22 O4 Pt Sb4 -
Comments: Helge Willner; Matthias Bodenbinder; Raimund Bröchler; Germaine Hwang; Steven J. Rettig; James Trotter; Britta von Ahsen; Ulrich Westphal; Volker Jonas; Walter Thiel; Friedhelm Aubke Superelectrophilic Tetrakis(carbonyl)palladium(II)- and -platinum(II) Undecafluorodiantimonate(V), [Pd(CO)4][Sb2F11]2 and [Pt(CO)4][Sb2F11]2: Syntheses, Physical and Spectroscopic Properties, Their Crystal, Molecular, and Extended Structures, and Density Functional Calculations: An Experimental, Computational, and Comparative Study Journal of the American Chemical Society 123 (2001) 588-602
Space group: P 1 21/c 1
Cell volume: 2155.7
Cell parameters: 12.757; 9.726; 17.8576; 90; 103.358; 90;  

COD ID: 4115424
CIF file Formula: - C4 F22 O4 Pd Sb4 -
Comments: Helge Willner; Matthias Bodenbinder; Raimund Bröchler; Germaine Hwang; Steven J. Rettig; James Trotter; Britta von Ahsen; Ulrich Westphal; Volker Jonas; Walter Thiel; Friedhelm Aubke Superelectrophilic Tetrakis(carbonyl)palladium(II)- and -platinum(II) Undecafluorodiantimonate(V), [Pd(CO)4][Sb2F11]2 and [Pt(CO)4][Sb2F11]2: Syntheses, Physical and Spectroscopic Properties, Their Crystal, Molecular, and Extended Structures, and Density Functional Calculations: An Experimental, Computational, and Comparative Study Journal of the American Chemical Society 123 (2001) 588-602
Space group: P 1 21/c 1
Cell volume: 2164.2
Cell parameters: 12.583; 9.8172; 17.9895; 90; 103.118; 90;  

COD ID: 4115425
CIF file Formula: - C53 H50 Ag2 Cl2 N4 O11 Pt2 -
Comments: Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito A Helical Metal-Metal Bonded Chain via the PtρightarrowAg Dative Bond Journal of the American Chemical Society 123 (2001) 743-744
Space group: P 61
Cell volume: 7898.1
Cell parameters: 14.805; 14.805; 41.608; 90; 90; 120;  

COD ID: 4115426
CIF file Formula: - C63 H54 Ag2 Cl2 N6 O11 Pt3 S6 -
Comments: Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito A Helical Metal-Metal Bonded Chain via the PtρightarrowAg Dative Bond Journal of the American Chemical Society 123 (2001) 743-744
Space group: P 1 21/n 1
Cell volume: 6789.2
Cell parameters: 16.7243; 23.9731; 16.9345; 90; 90.625; 90;  

COD ID: 4115427
CIF file Formula: - C84 H76 F60 N42 Ni5 Sb10 -
Comments: Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons Journal of the American Chemical Society 123 (2001) 773-774
Space group: C 1 2/c 1
Cell volume: 14460
Cell parameters: 17.933; 28.314; 29.459; 90; 104.82; 90;  

COD ID: 4115428
CIF file Formula: - C72 H68 B8 F32 N36 Zn4 -
Comments: Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons Journal of the American Chemical Society 123 (2001) 773-774
Space group: P -1
Cell volume: 5144
Cell parameters: 13.924; 17.071; 21.94; 94.458; 92.51; 97.79;  

COD ID: 4115429
CIF file Formula: - C70 H65 Cl8 N35 O32 Zn4 -
Comments: Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons Journal of the American Chemical Society 123 (2001) 773-774
Space group: C 1 2/c 1
Cell volume: 9366
Cell parameters: 20.377; 16.634; 28.283; 90; 102.3; 90;  

COD ID: 4115430
CIF file Formula: - C74 H73 Cl8 N36 Ni4 O33 -
Comments: Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons Journal of the American Chemical Society 123 (2001) 773-774
Space group: P 1 21/n 1
Cell volume: 10415
Cell parameters: 15.082; 31.922; 22.305; 90; 104.11; 90;  

COD ID: 4115431
CIF file Formula: - C26 H47 N9 O13 Pt2 -
Comments: Yong-Shou Lin; Hanae Misawa; Jun Yamada; Kazuko Matsumoto Synthesis of Ketonylplatinum(III) Dinuclear Complexes: Observation of the Competitive Radical vs Electrophilic Displacement in Pt(III)-Promoted C-H Bond Activation of Ketones Journal of the American Chemical Society 123 (2001) 569-575
Space group: P 1 21/c 1
Cell volume: 3738.3
Cell parameters: 10.133; 9.684; 38.1; 90; 90.86; 90;  

COD ID: 4115432
CIF file Formula: - C15 H39 N9 O13 Pt2 -
Comments: Yong-Shou Lin; Hanae Misawa; Jun Yamada; Kazuko Matsumoto Synthesis of Ketonylplatinum(III) Dinuclear Complexes: Observation of the Competitive Radical vs Electrophilic Displacement in Pt(III)-Promoted C-H Bond Activation of Ketones Journal of the American Chemical Society 123 (2001) 569-575
Space group: P -1
Cell volume: 1533.1
Cell parameters: 10.105; 17.225; 9.522; 104.5; 96.9; 73.07;  

COD ID: 4115433
CIF file Formula: - C16 H41 Ge N Si4 -
Comments: Karla A. Miller; Thomas W. Watson; John E. Bender; Mark M. Banaszak Holl; Jeff W. Kampf Intermolecular C-H Insertions and Cyclization Reactions Involving a Stable Germylene Journal of the American Chemical Society 123 (2001) 982-983
Space group: A b a 2
Cell volume: 2503.06
Cell parameters: 14.2877; 21.2552; 8.2422; 90; 90; 90;  

COD ID: 4115434
CIF file Formula: - C105 H72 Br2 Cl18 -
Comments: Sepas Setayesh; Andrew C. Grimsdale; Tanja Weil; Volker Enkelmann; Klaus Müllen; Farideh Meghdadi; Emil J. W. List; Günther Leising Polyfluorenes with Polyphenylene Dendron Side Chains: Toward Non-Aggregating, Light-Emitting Polymers Journal of the American Chemical Society 123 (2001) 946-953
Space group: P -1
Cell volume: 4927
Cell parameters: 11.175; 17.992; 25.141; 94.951; 101.792; 90.832;  

COD ID: 4115435
CIF file Formula: - C18 H18 O4 Se2 -
Comments: G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study Journal of the American Chemical Society 123 (2001) 839-850
Space group: P 1 21/c 1
Cell volume: 1755.9
Cell parameters: 8.969; 12.5676; 15.6444; 90; 95.293; 90;  

COD ID: 4115436
CIF file Formula: - C28 H36 Fe2 N2 Se2 -
Comments: G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study Journal of the American Chemical Society 123 (2001) 839-850
Space group: P 21 21 21
Cell volume: 2903.7
Cell parameters: 10.7903; 15.1341; 17.7815; 90; 90; 90;  

COD ID: 4115437
CIF file Formula: - C22 H24 N2 O2 Se2 -
Comments: G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study Journal of the American Chemical Society 123 (2001) 839-850
Space group: R -3 :H
Cell volume: 10083
Cell parameters: 33.198; 33.198; 10.5639; 90; 90; 120;  

COD ID: 4115438
CIF file Formula: - C22 H24 N2 O2 Se2 -
Comments: G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study Journal of the American Chemical Society 123 (2001) 839-850
Space group: P 21 21 21
Cell volume: 2249.3
Cell parameters: 8.778; 12.643; 20.268; 90; 90; 90;  

COD ID: 4115439
CIF file Formula: - C24 H24 N2 Se2 -
Comments: G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study Journal of the American Chemical Society 123 (2001) 839-850
Space group: P 21 21 21
Cell volume: 2210.9
Cell parameters: 7.6738; 11.0274; 26.127; 90; 90; 90;  

COD ID: 4115440
CIF file Formula: - C28 H49 N11 O13.5 S Y -
Comments: Shin Aoki; Hiroki Kawatani; Teruhiro Goto; Eiichi Kimura; Motoo Shiro A Double-Functionalized Cyclen with Carbamoyl and Dansyl Groups (Cyclen = 1,4,7,10-Tetraazacyclododecane): A Selective Fluorescent Probe for Y3+ and La3+ Journal of the American Chemical Society 123 (2001) 1123-1132
Space group: P 1 21/c 1
Cell volume: 7795
Cell parameters: 18.912; 17.042; 24.318; 90; 95.99; 90;  

COD ID: 4115441
CIF file Formula: - C28 H51 N11 O14 S Zn -
Comments: Shin Aoki; Hiroki Kawatani; Teruhiro Goto; Eiichi Kimura; Motoo Shiro A Double-Functionalized Cyclen with Carbamoyl and Dansyl Groups (Cyclen = 1,4,7,10-Tetraazacyclododecane): A Selective Fluorescent Probe for Y3+ and La3+ Journal of the American Chemical Society 123 (2001) 1123-1132
Space group: C 1 2/c 1
Cell volume: 7892.4
Cell parameters: 35.361; 13.7298; 18.5998; 90; 119.073; 90;  

COD ID: 4115442
CIF file Formula: - Ga Nd Sb2 -
Comments: Allison M. Mills; Arthur Mar Layered Rare-Earth Gallium Antimonides REGaSb2 (RE= La-Nd, Sm) Journal of the American Chemical Society 123 (2001) 1151-1158
Space group: I 41/a m d :2
Cell volume: 843
Cell parameters: 4.3486; 4.3486; 44.579; 90; 90; 90;  

COD ID: 4115443
CIF file Formula: - Ga Sb2 Sm -
Comments: Allison M. Mills; Arthur Mar Layered Rare-Earth Gallium Antimonides REGaSb2 (RE= La-Nd, Sm) Journal of the American Chemical Society 123 (2001) 1151-1158
Space group: C 2 2 21
Cell volume: 412.36
Cell parameters: 4.3087; 22.093; 4.3319; 90; 90; 90;  

COD ID: 4115444
CIF file Formula: - C37 H18 Ag24 B2 F53 N3 O39 -
Comments: Quan-Ming Wang; Thomas C. W. Mak Elliptic Column Consolidated by Acetylide Dianion, Cyanide, and Trifluoroacetate in a Novel Quadruple Salt of Silver(I) Journal of the American Chemical Society 123 (2001) 1501-1502
Space group: C 1 2/c 1
Cell volume: 10335
Cell parameters: 26.372; 25.257; 15.9775; 90; 103.804; 90;  

COD ID: 4115445
CIF file Formula: - C76 H85 Fe N4 O5 -
Comments: Chen-Yu Yeh; Christopher J. Chang; Daniel G. Nocera "Hangman" Porphyrins for the Assembly of a Model Heme Water Channel Journal of the American Chemical Society 123 (2001) 1513-1514
Space group: P -1
Cell volume: 3236.3
Cell parameters: 13.348; 15.716; 17.509; 70.287; 84.608; 69.442;  

COD ID: 4115446
CIF file Formula: - C8 H F12 I O2 -
Comments: Takayuki Kawashima; Kazuhisa Hoshiba; Naokazu Kano Synthesis, Structure, and Reactions of a Tricoordinate 1,2-Iodoxetane Journal of the American Chemical Society 123 (2001) 1507-1508
Space group: P 1 21/c 1
Cell volume: 1304.4
Cell parameters: 6.845; 17.687; 10.888; 90; 98.28; 90;  

COD ID: 4115447
CIF file Formula: - C6 H10 I3 N2 S2 -
Comments: Francesco Bigoli; Paola Deplano; Maria Laura Mercuri; Maria Angela Pellinghelli; Gloria Pintus; Angela Serpe; Emanuele F. Trogu N,N'-Dimethylpiperazinium-2,3-dithione Triiodide, [Me2Pipdt]I3, as a Powerful New Oxidation Agent toward Metallic Platinum. Synthesis and X-ray Structures of the Reagent and the Product [Pt(Me2Pipdt)2](I3)2 Journal of the American Chemical Society 123 (2001) 1788-1789
Space group: C 1 2/c 1
Cell volume: 1424.5
Cell parameters: 8.764; 11.259; 14.458; 90; 93.13; 90;  

COD ID: 4115448
CIF file Formula: - C12 H20 I6 N4 Pt S4 -
Comments: Francesco Bigoli; Paola Deplano; Maria Laura Mercuri; Maria Angela Pellinghelli; Gloria Pintus; Angela Serpe; Emanuele F. Trogu N,N'-Dimethylpiperazinium-2,3-dithione Triiodide, [Me2Pipdt]I3, as a Powerful New Oxidation Agent toward Metallic Platinum. Synthesis and X-ray Structures of the Reagent and the Product [Pt(Me2Pipdt)2](I3)2 Journal of the American Chemical Society 123 (2001) 1788-1789
Space group: P 1 21/n 1
Cell volume: 1447.5
Cell parameters: 9.072; 13.303; 12.611; 90; 107.99; 90;  

COD ID: 4115449
CIF file Formula: - C64 H86 Cd4 Cl4 N2 O Se6 -
Comments: V. N. Soloviev; A. Eichhöfer; D. Fenske; U. Banin Size-Dependent Optical Spectroscopy of a Homologous Series of CdSe Cluster Molecules Journal of the American Chemical Society 123 (2001) 2354-2364
Space group: P 1 21/c 1
Cell volume: 7612
Cell parameters: 22.81; 13.15; 27.67; 90; 113.48; 90;  

COD ID: 4115450
CIF file Formula: - C108 H144 Cd10 P4 Se16 -
Comments: V. N. Soloviev; A. Eichhöfer; D. Fenske; U. Banin Size-Dependent Optical Spectroscopy of a Homologous Series of CdSe Cluster Molecules Journal of the American Chemical Society 123 (2001) 2354-2364
Space group: I 41/a :2
Cell volume: 13144
Cell parameters: 25.441; 25.441; 20.308; 90; 90; 90;  

COD ID: 4115451
CIF file Formula: - C300 H304 Cd25 Cl4 O6 P4 Se41 -
Comments: V. N. Soloviev; A. Eichhöfer; D. Fenske; U. Banin Size-Dependent Optical Spectroscopy of a Homologous Series of CdSe Cluster Molecules Journal of the American Chemical Society 123 (2001) 2354-2364
Space group: F 2 3
Cell volume: 34850
Cell parameters: 32.664; 32.664; 32.664; 90; 90; 90;  

COD ID: 4115452
CIF file Formula: - C51 H68 B Ca N O7 -
Comments: Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes Journal of the American Chemical Society 123 (2001) 2165-2175
Space group: P 1 21/n 1
Cell volume: 4797.7
Cell parameters: 16.7447; 18.4217; 17.3976; 90; 116.619; 90;  

COD ID: 4115453
CIF file Formula: - C50 H66 B Mg N O6 -
Comments: Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes Journal of the American Chemical Society 123 (2001) 2165-2175
Space group: P -1
Cell volume: 2329.1
Cell parameters: 13.2719; 15.321; 12.3308; 108.05; 94.392; 99.524;  

COD ID: 4115454
CIF file Formula: - C102 H140 B2 N2 O15 Sr2 -
Comments: Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes Journal of the American Chemical Society 123 (2001) 2165-2175
Space group: P 1 21/n 1
Cell volume: 10153.8
Cell parameters: 19.3828; 17.9403; 30.596; 90; 107.374; 90;  

COD ID: 4115455
CIF file Formula: - C53 H78 B Ca N O9 -
Comments: Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes Journal of the American Chemical Society 123 (2001) 2165-2175
Space group: C 1 2/c 1
Cell volume: 11017.3
Cell parameters: 35.486; 17.9443; 17.8958; 90; 104.803; 90;  

COD ID: 4115456
CIF file

HKL data

 Formula: - O2 Si -
Comments: Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study Journal of the American Chemical Society 123 (2001) 2204-2212
Space group: P n m a
Cell volume: 5375.47
Cell parameters: 20.11351; 19.92999; 13.40977; 90; 90; 90;  

COD ID: 4115457
CIF file

HKL data

 Formula: - O2 Si -
Comments: Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study Journal of the American Chemical Society 123 (2001) 2204-2212
Space group: P n m a
Cell volume: 5348.39
Cell parameters: 20.07147; 19.90742; 13.38532; 90; 90; 90;  

COD ID: 4115458
CIF file

HKL data

 Formula: - O2 Si -
Comments: Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study Journal of the American Chemical Society 123 (2001) 2204-2212
Space group: P n m a
Cell volume: 5387.32
Cell parameters: 20.12825; 19.9449; 13.41945; 90; 90; 90;  

COD ID: 4115459
CIF file Formula: - C27 H42 O2 -
Comments: Teck-Peng Loh; Qi-Ying Hu; Li-Ting Ma Formation of Tetrahydrofuran from Homoallylic Alcohol via a Tandem Sequence: 2-Oxonia [3,3]-Sigmatropic Rearrangement/Cyclization Catalyzed by In(OTf)3 Journal of the American Chemical Society 123 (2001) 2450-2451
Space group: P 21 21 21
Cell volume: 2351.5
Cell parameters: 6.0506; 17.507; 22.199; 90; 90; 90;  

COD ID: 4115460
CIF file Formula: - C23 H40 O6 -
Comments: Kenji Kinoshita; Paul G Williard; Chaitan Khosla; David E. Cane Precursor-Directed Biosynthesis of 16-Membered Macrolides by the Erythromycin Polyketide Synthase Journal of the American Chemical Society 123 (2001) 2495-2502
Space group: P 1 21 1
Cell volume: 2462
Cell parameters: 10.552; 18.024; 13.083; 90; 98.296; 90;  

COD ID: 4115461
CIF file Formula: - C9 H11 N3 O3 -
Comments: Lakshmaiah Gingipalli; Peter C. Dedon Reaction of cis- and trans-2-Butene-1,4-dial with 2'-Deoxycytidine to Form Stable Oxadiazabicyclooctaimine Adducts Journal of the American Chemical Society 123 (2001) 2664-2665
Space group: F d d 2
Cell volume: 3694.9
Cell parameters: 21.523; 23.449; 7.3211; 90; 90; 90;  

COD ID: 4115462
CIF file Formula: - C48 H54 Cl N3 Na O6 Ru3 -
Comments: Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+ Journal of the American Chemical Society 123 (2001) 2699-2700
Space group: P c c n
Cell volume: 19100.7
Cell parameters: 27.8463; 36.2391; 18.928; 90; 90; 90;  

COD ID: 4115463
CIF file Formula: - C48.5 H65 N3 O11 Ru3 -
Comments: Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+ Journal of the American Chemical Society 123 (2001) 2699-2700
Space group: P -1
Cell volume: 2427.2
Cell parameters: 9.8458; 11.7704; 21.5444; 97.819; 90.981; 100.83;  

COD ID: 4115464
CIF file Formula: - C59 H69 Cl Li N3 O7 Ru3 -
Comments: Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+ Journal of the American Chemical Society 123 (2001) 2699-2700
Space group: P -1
Cell volume: 2824.7
Cell parameters: 11.1892; 14.4902; 18.7244; 105.12; 95.4252; 102.472;  

COD ID: 4115465
CIF file Formula: - C20 H25 N3 O2 S -
Comments: Frank Würthner; Sheng Yao; Joachim Schilling; Rüdiger Wortmann; Mesfin Redi-Abshiro; Erwin Mecher; Francisco Gallego-Gomez; Klaus Meerholz ATOP Dyes. Optimization of a Multifunctional Merocyanine Chromophore for High Refractive Index Modulation in Photorefractive Materials Journal of the American Chemical Society 123 (2001) 2810-2824
Space group: P 1 21/c 1
Cell volume: 1967.9
Cell parameters: 10.9561; 8.4306; 21.382; 90; 94.836; 90;  

COD ID: 4115466
CIF file Formula: - C98 H80 As3 La O9 -
Comments: Tetsuhiro Nemoto; Takashi Ohshima; Kentaro Yamaguchi; Masakatsu Shibasaki Catalytic Asymmetric Epoxidation of Enones Using La-BINOL-Triphenylarsine Oxide Complex: Structural Determination of the Asymmetric Catalyst Journal of the American Chemical Society 123 (2001) 2725-2732
Space group: P 31 2 1
Cell volume: 7153.8
Cell parameters: 17.6048; 17.6048; 26.653; 90; 90; 120;  

COD ID: 4115467
CIF file Formula: - C38 H41 F3 O3 Si -
Comments: Atsushi Kawachi; Hirofumi Maeda; Hiroshi Nakamura; Noriyuki Doi; Kohei Tamao Chirality Transfer during the [2,3]-sila-Wittig Rearrangement and Cyclopropanation Reaction of Optically Active [(sec-Allyloxy)silyl]lithiums Journal of the American Chemical Society 123 (2001) 3143-3144
Space group: P 1 21 1
Cell volume: 1693.16
Cell parameters: 9.0758; 20.0931; 9.8574; 90; 109.627; 90;  

COD ID: 4115468
CIF file Formula: - C19 H40 B K N2 O8 -
Comments: Roger Alberto; Kirstin Ortner; Nigel Wheatley; Roger Schibli; August P. Schubiger Synthesis and Properties of Boranocarbonate: A Convenient in Situ CO Source for the Aqueous Preparation of [99mTc(OH2)3(CO)3]+ Journal of the American Chemical Society 123 (2001) 3135-3136
Space group: P -1
Cell volume: 1289
Cell parameters: 11.1315; 11.4183; 12.4438; 106.269; 105.153; 111.573;  

COD ID: 4115469
CIF file Formula: - C324 H368 B8 Cl4 La4 N20 O52 -
Comments: De-Liang Long; Alexander J. Blake; Neil R. Champness; Claire Wilson; Martin Schröder Lanthanum Coordination Networks Based on Unusual Five-Connected Topologies Journal of the American Chemical Society 123 (2001) 3401-3402
Space group: P 1 c 1
Cell volume: 16157
Cell parameters: 15.134; 47.621; 22.431; 90; 91.947; 90;  

COD ID: 4115470
CIF file Formula: - C92.5 H98 B3 La N5 O12.5 -
Comments: De-Liang Long; Alexander J. Blake; Neil R. Champness; Claire Wilson; Martin Schröder Lanthanum Coordination Networks Based on Unusual Five-Connected Topologies Journal of the American Chemical Society 123 (2001) 3401-3402
Space group: P b c n
Cell volume: 16814
Cell parameters: 48.422; 21.958; 15.814; 90; 90; 90;  

COD ID: 4115471
CIF file Formula: - C31 H37 O3 P -
Comments: Junji Kobayashi; Kei Goto; Takayuki Kawashima 5-Carbaphosphatranes: The First Main Group Atrane Bearing a 1-5 Covalent Bond Journal of the American Chemical Society 123 (2001) 3387-3388
Space group: P 1 21/c 1
Cell volume: 2742.7
Cell parameters: 15.963; 11.278; 15.269; 90; 93.842; 90;  

COD ID: 4115472
CIF file Formula: - Cs3.75 Na0.31 Sn20.33 -
Comments: Svilen Bobev; Slavi C. Sevov Clathrate III of Group 14 Exists After All Journal of the American Chemical Society 123 (2001) 3389-3390
Space group: P 42/m n m
Cell volume: 6706.1
Cell parameters: 23.5389; 23.5389; 12.1031; 90; 90; 90;  

COD ID: 4115473
CIF file Formula: - Cs3.75 Na0.36 Sn20.29 -
Comments: Svilen Bobev; Slavi C. Sevov Clathrate III of Group 14 Exists After All Journal of the American Chemical Society 123 (2001) 3389-3390
Space group: P 42/m n m
Cell volume: 6716.7
Cell parameters: 23.5566; 23.5566; 12.104; 90; 90; 90;  

COD ID: 4115474
CIF file Formula: - Cs1.72 Na0.35 Rb2.03 Sn20.31 -
Comments: Svilen Bobev; Slavi C. Sevov Clathrate III of Group 14 Exists After All Journal of the American Chemical Society 123 (2001) 3389-3390
Space group: P 42/m n m
Cell volume: 6669.4
Cell parameters: 23.49; 23.49; 12.087; 90; 90; 90;  

COD ID: 4115475
CIF file Formula: - C14 H10 Cl0.5 K0.5 Mo O8 -
Comments: Teerayuth Liwporncharoenvong; Rudy L. Luck Quadruply Bonded Dimolybdenum Atoms Surrounded by Dendrons: Preparation, Characterization, and Electrochemistry Journal of the American Chemical Society 123 (2001) 3615-3616
Space group: F 2 2 2
Cell volume: 5210
Cell parameters: 13.06; 19.961; 19.985; 90; 90; 90;  

COD ID: 4115476
CIF file Formula: - C53 H69 O3 P Pd2 Ru2 S4 Ti2 -
Comments: Shigeki Kuwata; Shin-ichiro Kabashima; Youichi Ishii; Masanobu Hidai A Ti2Ru2Pd2 Oxo-Sulfido Cluster Synthesized by Linking Two Rationally Preorganized TiRuPdS2 Heterotrimetallic Units with an Oxo Ligand: Its Reaction with an Alkyne Journal of the American Chemical Society 123 (2001) 3826-3827
Space group: C 1 c 1
Cell volume: 5680
Cell parameters: 23.873; 11.955; 22.234; 90; 116.47; 90;  

COD ID: 4115477
CIF file Formula: - C58 H71 O6 P Pd2 Ru2 S4 Ti2 -
Comments: Shigeki Kuwata; Shin-ichiro Kabashima; Youichi Ishii; Masanobu Hidai A Ti2Ru2Pd2 Oxo-Sulfido Cluster Synthesized by Linking Two Rationally Preorganized TiRuPdS2 Heterotrimetallic Units with an Oxo Ligand: Its Reaction with an Alkyne Journal of the American Chemical Society 123 (2001) 3826-3827
Space group: P b c a
Cell volume: 12027
Cell parameters: 25.129; 25.477; 18.786; 90; 90; 90;  

COD ID: 4115478
CIF file Formula: - C21 H24 F3 O3 S9 -
Comments: Michel Giffard; Gilles Mabon; Emmanuel Leclair; Nicolas Mercier; Magali Allain; Alain Gorgues; Philippe Molinié; Ojars Neilands; Pnina Krief; Vladimir Khodorkovsky Oxidation of TTF Derivatives Using (Diacetoxyiodo)benzene: a General Chemical Route toward Cation Radicals, Dications, and Nonstoichiometric Salts Journal of the American Chemical Society 123 (2001) 3852-3853
Space group: P -1
Cell volume: 1401.2
Cell parameters: 8.598; 12.995; 13.081; 75.36; 87.35; 82.3;  

COD ID: 4115479
CIF file Formula: - C14 H10 F6 O7 S10 -
Comments: Michel Giffard; Gilles Mabon; Emmanuel Leclair; Nicolas Mercier; Magali Allain; Alain Gorgues; Philippe Molinié; Ojars Neilands; Pnina Krief; Vladimir Khodorkovsky Oxidation of TTF Derivatives Using (Diacetoxyiodo)benzene: a General Chemical Route toward Cation Radicals, Dications, and Nonstoichiometric Salts Journal of the American Chemical Society 123 (2001) 3852-3853
Space group: P 1 21/c 1
Cell volume: 2592.1
Cell parameters: 21.53; 7.9538; 15.846; 90; 72.79; 90;  

COD ID: 4115480
CIF file Formula: - C13 Cl9 -
Comments: P. A. Koutentis; Y. Chen; Y. Cao; T. P. Best; M. E. Itkis; L. Beer; R. T. Oakley; A. W. Cordes; C. P. Brock; R. C. Haddon Perchlorophenalenyl Radical Journal of the American Chemical Society 123 (2001) 3864-3871
Space group: R 3 m :H
Cell volume: 1145
Cell parameters: 18.704; 18.704; 3.7792; 90; 90; 120;  

COD ID: 4115481
CIF file

HKL data

 Formula: - C56 H98 O36.078 -
Comments: John J. Stezowski; William Parker; Sherri Hilgenkamp; Maria Gdaniec Pseudopolymorphism in Tetradeca-2,6-O-methyl-β-cyclodextrin: The Crystal Structures for Two New Hydrates Conformational Variability in the Alkylated β-Cyclodextrin Molecule Journal of the American Chemical Society 123 (2001) 3919-3926
Space group: P 21 21 21
Cell volume: 6905.5
Cell parameters: 13.328; 17.41; 29.76; 90; 90; 90;  

COD ID: 4115482
CIF file

HKL data

 Formula: - C56 H97 O49.7 -
Comments: John J. Stezowski; William Parker; Sherri Hilgenkamp; Maria Gdaniec Pseudopolymorphism in Tetradeca-2,6-O-methyl-β-cyclodextrin: The Crystal Structures for Two New Hydrates Conformational Variability in the Alkylated β-Cyclodextrin Molecule Journal of the American Chemical Society 123 (2001) 3919-3926
Space group: P 21 21 21
Cell volume: 8359
Cell parameters: 13.976; 20.763; 28.807; 90; 90; 90;  

COD ID: 4115483
CIF file Formula: - C108 H204 Bi6 K6 Mo4 N16 O42 -
Comments: Li Xu; Angel Ugrinov; Slavi C. Sevov Stabilization of Ozone-like [Bi3]3- in the Heteroatomic closo-Clusters [Bi3Cr2(CO)6]3- and [Bi3Mo2(CO)6]3- Journal of the American Chemical Society 123 (2001) 4091-4092
Space group: P -1
Cell volume: 7599
Cell parameters: 12.635; 21.115; 29.197; 91.602; 102.387; 91.953;  

COD ID: 4115484
CIF file Formula: - C106 H196 Bi6 Cr4 K6 N14 O42 -
Comments: Li Xu; Angel Ugrinov; Slavi C. Sevov Stabilization of Ozone-like [Bi3]3- in the Heteroatomic closo-Clusters [Bi3Cr2(CO)6]3- and [Bi3Mo2(CO)6]3- Journal of the American Chemical Society 123 (2001) 4091-4092
Space group: P -1
Cell volume: 3794.9
Cell parameters: 12.679; 17.724; 18.254; 71.31; 81.37; 78.82;  

COD ID: 4115485
CIF file Formula: - C43 H83.5 Mo6 N3 O18.25 -
Comments: Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates Journal of the American Chemical Society 123 (2001) 4083-4084
Space group: P -1
Cell volume: 5768.6
Cell parameters: 12.4636; 19.092; 25.5423; 104.284; 92.547; 100.368;  

COD ID: 4115486
CIF file Formula: - C41.5 H83 I Mo6 N3 O18.5 -
Comments: Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates Journal of the American Chemical Society 123 (2001) 4083-4084
Space group: P -1
Cell volume: 5765.5
Cell parameters: 12.4358; 19.0658; 25.4922; 103.726; 92.319; 99.787;  

COD ID: 4115487
CIF file Formula: - C40 H81 Mo6 N3 O18 -
Comments: Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates Journal of the American Chemical Society 123 (2001) 4083-4084
Space group: P -1
Cell volume: 2749.1
Cell parameters: 12.1352; 12.4919; 19.6515; 107.323; 97.324; 100.018;  

COD ID: 4115488
CIF file Formula: - C50 H114 Mo8 N6 O28 -
Comments: Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates Journal of the American Chemical Society 123 (2001) 4083-4084
Space group: P 1 21/n 1
Cell volume: 3703.3
Cell parameters: 13.3842; 17.2197; 16.3424; 90; 100.512; 90;  

COD ID: 4115489
CIF file Formula: - C27 H52 P2 Pd -
Comments: Steven M. Reid; Joel T. Mague; Mark J. Fink Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes Journal of the American Chemical Society 123 (2001) 4081-4082
Space group: P b c a
Cell volume: 5786.5
Cell parameters: 16.633; 14.7594; 23.571; 90; 90; 90;  

COD ID: 4115490
CIF file Formula: - C50 H92 P4 Pd2 -
Comments: Steven M. Reid; Joel T. Mague; Mark J. Fink Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes Journal of the American Chemical Society 123 (2001) 4081-4082
Space group: P 1 21/n 1
Cell volume: 5207.5
Cell parameters: 16.3049; 19.636; 16.8965; 90; 105.713; 90;  

COD ID: 4115491
CIF file Formula: - C7 H20 P2 Pd -
Comments: Steven M. Reid; Joel T. Mague; Mark J. Fink Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes Journal of the American Chemical Society 123 (2001) 4081-4082
Space group: P 1 21/c 1
Cell volume: 2263.3
Cell parameters: 12.4484; 11.1542; 16.7454; 90; 103.242; 90;  

COD ID: 4115492
CIF file Formula: - C99 H90 Cl4 N4 Ru -
Comments: Chi-Ming Che; Jie-Sheng Huang; Fu-Wa Lee; Yan Li; Tat-Shing Lai; Hoi-Lun Kwong; Pang-Fei Teng; Wing-Sze Lee; Wai-Cheung Lo; Shie-Ming Peng; Zhong-Yuan Zhou Asymmetric Inter- and Intramolecular Cyclopropanation of Alkenes Catalyzed by Chiral Ruthenium Porphyrins. Synthesis and Crystal Structure of a Chiral Metalloporphyrin Carbene Complex Journal of the American Chemical Society 123 (2001) 4119-4129
Space group: P 21 21 21
Cell volume: 8342.3
Cell parameters: 14.687; 20.6491; 27.5075; 90; 90; 90;  

COD ID: 4115493
CIF file Formula: - C98 H92 Cl6 N4 O2 Ru -
Comments: Chi-Ming Che; Jie-Sheng Huang; Fu-Wa Lee; Yan Li; Tat-Shing Lai; Hoi-Lun Kwong; Pang-Fei Teng; Wing-Sze Lee; Wai-Cheung Lo; Shie-Ming Peng; Zhong-Yuan Zhou Asymmetric Inter- and Intramolecular Cyclopropanation of Alkenes Catalyzed by Chiral Ruthenium Porphyrins. Synthesis and Crystal Structure of a Chiral Metalloporphyrin Carbene Complex Journal of the American Chemical Society 123 (2001) 4119-4129
Space group: P 1 21 1
Cell volume: 4270.4
Cell parameters: 14.2648; 18.1252; 16.7048; 90; 98.612; 90;  

COD ID: 4115494
CIF file Formula: - C24 H24 F6 P S16 -
Comments: Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-] Journal of the American Chemical Society 123 (2001) 4174-4180
Space group: P -1
Cell volume: 898.5
Cell parameters: 8.503; 17.34; 6.5329; 94.07; 110.73; 89.36;  

COD ID: 4115495
CIF file Formula: - C24 H24 As F6 S16 -
Comments: Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-] Journal of the American Chemical Society 123 (2001) 4174-4180
Space group: P -1
Cell volume: 904.3
Cell parameters: 8.523; 17.449; 6.518; 93.95; 110.74; 89.13;  

COD ID: 4115496
CIF file Formula: - C24 H24 F6 S16 Sb -
Comments: Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-] Journal of the American Chemical Society 123 (2001) 4174-4180
Space group: P -1
Cell volume: 919.6
Cell parameters: 8.579; 17.636; 6.514; 93.79; 110.75; 89;  

COD ID: 4115497
CIF file Formula: - Te Zr -
Comments: Gissur Örlygsson; Bernd Harbrecht Structure, Properties, and Bonding of ZrTe (MnP Type), a Low-Symmetry, High-Temperature Modification of ZrTe (WC Type) Journal of the American Chemical Society 123 (2001) 4168-4173
Space group: P n m a
Cell volume: 193.6
Cell parameters: 7.3915; 3.7723; 6.9434; 90; 90; 90;  

COD ID: 4115498
CIF file Formula: - C32 H30 N2 O4 Pt Se2 -
Comments: Vincenzo G. Albano; Magda Monari; Ida Orabona; Achille Panunzi; Francesco Ruffo Oxidative Additions of E-E Bonds (E = Chalcogen) to Group 10 Metals: "Tunable" Cleavage of Se-Se Bonds by Pt(0) Complexes Journal of the American Chemical Society 123 (2001) 4352-4353
Space group: P 1 21/c 1
Cell volume: 2992.4
Cell parameters: 13.296; 11.8738; 19.282; 90; 100.581; 90;  

COD ID: 4115499
CIF file Formula: - C12 H24 N6 O7 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: C m c m
Cell volume: 2011.4
Cell parameters: 7.5299; 12.4646; 21.4301; 90; 90; 90;  

COD ID: 4115500
CIF file Formula: - C13 H17 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P 1 21/n 1
Cell volume: 1557.1
Cell parameters: 7.6465; 11.6218; 17.625; 90; 96.211; 90;  

COD ID: 4115501
CIF file Formula: - C12 H18 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P b c a
Cell volume: 3008.9
Cell parameters: 13.4285; 12.5989; 17.785; 90; 90; 90;  

COD ID: 4115502
CIF file Formula: - C12 H18 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P b c a
Cell volume: 3085.3
Cell parameters: 13.1459; 12.4292; 18.8824; 90; 90; 90;  

COD ID: 4115503
CIF file Formula: - C14 H16 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P b c a
Cell volume: 3069.8
Cell parameters: 13.36; 12.6471; 18.1682; 90; 90; 90;  

COD ID: 4115504
CIF file Formula: - C9 H12 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P -1
Cell volume: 560.98
Cell parameters: 6.2166; 7.1847; 13.1213; 74.725; 83.331; 85.826;  

COD ID: 4115505
CIF file Formula: - C10 H14 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P -1
Cell volume: 606.91
Cell parameters: 7.2609; 7.4075; 13.1537; 89.189; 77.186; 62.193;  

COD ID: 4115506
CIF file Formula: - C18 H24 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P 1 21/n 1
Cell volume: 1892.5
Cell parameters: 7.5334; 12.2651; 20.6209; 90; 96.645; 90;  

COD ID: 4115507
CIF file Formula: - C17 H19 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P b c a
Cell volume: 3716.77
Cell parameters: 13.3756; 12.4586; 22.304; 90; 90; 90;  

COD ID: 4115508
CIF file Formula: - C22 H19 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P b c a
Cell volume: 3907.7
Cell parameters: 13.4471; 12.1155; 23.9856; 90; 90; 90;  

COD ID: 4115509
CIF file Formula: - C54 H44 N6 O6 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P b c a
Cell volume: 4512.4
Cell parameters: 13.6864; 12.4544; 26.4727; 90; 90; 90;  

COD ID: 4115510
CIF file Formula: - C12 H15 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P -1
Cell volume: 661.06
Cell parameters: 6.2024; 7.1901; 15.1836; 80.859; 82.235; 85.208;  

COD ID: 4115511
CIF file Formula: - C12 H15 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P -1
Cell volume: 662.99
Cell parameters: 6.2001; 7.3015; 15.145; 103.134; 94.777; 93.607;  

COD ID: 4115512
CIF file Formula: - C16 H15 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P 1 21/n 1
Cell volume: 1521.2
Cell parameters: 7.4472; 9.8732; 20.756; 90; 94.601; 90;  

COD ID: 4115513
CIF file Formula: - C52 H50 N6 O6 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P 1 n 1
Cell volume: 2352.5
Cell parameters: 7.4697; 26.627; 11.8358; 90; 92.1; 90;  

COD ID: 4115514
CIF file Formula: - C28 H22 N3 O3 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P b c a
Cell volume: 4544
Cell parameters: 13.7891; 12.3034; 26.784; 90; 90; 90;  

COD ID: 4115515
CIF file Formula: - C10 H28 N6 O6 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P n a 21
Cell volume: 6181.8
Cell parameters: 12.6576; 42.116; 11.5962; 90; 90; 90;  

COD ID: 4115516
CIF file Formula: - C16 H42 N6 O6 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P n m a
Cell volume: 2405.2
Cell parameters: 14.426; 7.4303; 22.4383; 90; 90; 90;  

COD ID: 4115517
CIF file Formula: - C21 H28 N6 O7 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P -1
Cell volume: 2702.7
Cell parameters: 7.5011; 12.0916; 29.989; 84.585; 86.477; 89.229;  

COD ID: 4115518
CIF file Formula: - C20 H29 N9 O7 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P 21 21 21
Cell volume: 2993.8
Cell parameters: 7.4659; 13.7874; 29.0841; 90; 90; 90;  

COD ID: 4115519
CIF file Formula: - C24 H36 N6 O8 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P 21 21 21
Cell volume: 2994.2
Cell parameters: 7.5839; 14.228; 27.7485; 90; 90; 90;  

COD ID: 4115520
CIF file Formula: - C15 H32 N6 O8 S2 -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: C m c 21
Cell volume: 2438.1
Cell parameters: 7.5013; 20.576; 15.796; 90; 90; 90;  

COD ID: 4115521
CIF file Formula: - C9.5 H19 N3 O4.5 S -
Comments: K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society 123 (2001) 4421-4431
Space group: P n m a
Cell volume: 3093
Cell parameters: 21.1037; 7.5867; 19.3182; 90; 90; 90;  

COD ID: 4115522
CIF file Formula: - C29 H24 N4 O9 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: F d d d :2
Cell volume: 10642
Cell parameters: 24.365; 28.629; 15.257; 90; 90; 90;  

COD ID: 4115523
CIF file Formula: - C39.5 H28 N6 O13 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P 42/n :2
Cell volume: 3986
Cell parameters: 13.139; 13.139; 23.087; 90; 90; 90;  

COD ID: 4115524
CIF file Formula: - C29 H19.33 N4.67 O9.33 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P 42/n :2
Cell volume: 3878
Cell parameters: 13.055; 13.055; 22.754; 90; 90; 90;  

COD ID: 4115525
CIF file Formula: - C57 H39 Br N8 O17 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P b c n
Cell volume: 5238.4
Cell parameters: 18.34; 15.68; 18.216; 90; 90; 90;  

COD ID: 4115526
CIF file Formula: - C28.5 H20 N4 O8.5 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P b c n
Cell volume: 5203.2
Cell parameters: 18.236; 15.685; 18.191; 90; 90; 90;  

COD ID: 4115527
CIF file Formula: - C29 H21 N4 O8.5 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P b c n
Cell volume: 5244.2
Cell parameters: 18.257; 15.668; 18.333; 90; 90; 90;  

COD ID: 4115528
CIF file Formula: - C29 H21 N4 O8 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P b c n
Cell volume: 5213.6
Cell parameters: 18.246; 15.668; 18.237; 90; 90; 90;  

COD ID: 4115529
CIF file Formula: - C56 H36 Cl N8 O16 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P b c n
Cell volume: 5191.6
Cell parameters: 18.228; 15.645; 18.205; 90; 90; 90;  

COD ID: 4115530
CIF file Formula: - C25.33333 H16.33333 Cl N4 O8 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: R -3 :H
Cell volume: 10893
Cell parameters: 22.276; 22.276; 25.348; 90; 90; 120;  

COD ID: 4115531
CIF file Formula: - C25.33333 H16.33333 Br N4 O8 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: R -3 :R
Cell volume: 3662.8
Cell parameters: 15.437; 15.437; 15.437; 93.02; 93.02; 93.02;  

COD ID: 4115532
CIF file Formula: - C26 H18.33 N4.33 O8.33 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: R -3 :R
Cell volume: 3666.4
Cell parameters: 15.427; 15.427; 15.427; 91.73; 91.73; 91.73;  

COD ID: 4115533
CIF file Formula: - C43 H40 N4 O8 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P -1
Cell volume: 1941.4
Cell parameters: 9.968; 13.147; 15.747; 72.4; 80.83; 88.49;  

COD ID: 4115534
CIF file Formula: - C33 H27 N5 O8 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: P -4 21 c
Cell volume: 1910
Cell parameters: 10.9385; 10.9385; 15.9633; 90; 90; 90;  

COD ID: 4115535
CIF file Formula: - C33 H26 N4 O8 -
Comments: Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations Journal of the American Chemical Society 123 (2001) 4432-4445
Space group: C 1 2/c 1
Cell volume: 11815
Cell parameters: 18.642; 18.706; 34.164; 90; 97.36; 90;  

COD ID: 4115536
CIF file Formula: - C26 H44 O5 -
Comments: Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata Controlled Expansion of a Molecular Cavity in a Steroid Host Compound Journal of the American Chemical Society 123 (2001) 4386-4392
Space group: P 21 21 21
Cell volume: 2441
Cell parameters: 9.886; 37.5; 6.5844; 90; 90; 90;  

COD ID: 4115537
CIF file Formula: - C28 H47 N O5 -
Comments: Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata Controlled Expansion of a Molecular Cavity in a Steroid Host Compound Journal of the American Chemical Society 123 (2001) 4386-4392
Space group: P 21 21 21
Cell volume: 2791.7
Cell parameters: 17.829; 18.906; 8.282; 90; 90; 90;  

COD ID: 4115538
CIF file Formula: - C29 H47 N O5 -
Comments: Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata Controlled Expansion of a Molecular Cavity in a Steroid Host Compound Journal of the American Chemical Society 123 (2001) 4386-4392
Space group: P 21 21 21
Cell volume: 2865.8
Cell parameters: 17.772; 19.183; 8.406; 90; 90; 90;  

COD ID: 4115539
CIF file Formula: - C34 H52 O6 -
Comments: Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata Controlled Expansion of a Molecular Cavity in a Steroid Host Compound Journal of the American Chemical Society 123 (2001) 4386-4392
Space group: P 21 21 21
Cell volume: 3247.2
Cell parameters: 14.718; 26.601; 8.294; 90; 90; 90;  

COD ID: 4115540
CIF file Formula: - C36 H52 O6 -
Comments: Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata Controlled Expansion of a Molecular Cavity in a Steroid Host Compound Journal of the American Chemical Society 123 (2001) 4386-4392
Space group: P 1 21 1
Cell volume: 1628.6
Cell parameters: 14.101; 8.036; 15.75; 90; 114.144; 90;  

COD ID: 4115541
CIF file Formula: - C37 H54 O5 -
Comments: Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata Controlled Expansion of a Molecular Cavity in a Steroid Host Compound Journal of the American Chemical Society 123 (2001) 4386-4392
Space group: P 1 21 1
Cell volume: 1661.3
Cell parameters: 14.02; 7.933; 15.804; 90; 109.07; 90;  

COD ID: 4115542
CIF file Formula: - C48 H50 Fe N2 O4 -
Comments: Dongwhan Lee; Stephen J. Lippard Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase Journal of the American Chemical Society 123 (2001) 4611-4612
Space group: P 1 21/n 1
Cell volume: 4015.5
Cell parameters: 12.4478; 19.9561; 17.2865; 90; 110.752; 90;  

COD ID: 4115543
CIF file Formula: - C94 H92 Cl4 Fe2 N4 O8 -
Comments: Dongwhan Lee; Stephen J. Lippard Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase Journal of the American Chemical Society 123 (2001) 4611-4612
Space group: P -1
Cell volume: 2130.68
Cell parameters: 11.6032; 14.0661; 15.2839; 101.305; 108.13; 108.161;  

COD ID: 4115544
CIF file Formula: - C116 H104 Fe2 N4 O8 -
Comments: Dongwhan Lee; Stephen J. Lippard Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase Journal of the American Chemical Society 123 (2001) 4611-4612
Space group: P -1
Cell volume: 2380.64
Cell parameters: 11.3953; 14.7207; 15.2957; 77.836; 72.173; 82.162;  

COD ID: 4115545
CIF file Formula: - C123.5 H109 Cl2 Fe2 N4 O10 -
Comments: Dongwhan Lee; Stephen J. Lippard Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase Journal of the American Chemical Society 123 (2001) 4611-4612
Space group: P -1
Cell volume: 5493.9
Cell parameters: 15.0043; 16.907; 24.019; 95.57; 108.017; 104.939;  

COD ID: 4115546
CIF file Formula: - C17 H25 N O5 -
Comments: Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs Journal of the American Chemical Society 123 (2001) 4469-4474
Space group: P 21 21 21
Cell volume: 1713.07
Cell parameters: 13.1394; 23.1711; 5.6267; 90; 90; 90;  

COD ID: 4115547
CIF file Formula: - C16 H23 N O5 -
Comments: Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs Journal of the American Chemical Society 123 (2001) 4469-4474
Space group: P 21 21 21
Cell volume: 1663.29
Cell parameters: 12.7757; 22.5429; 5.7753; 90; 90; 90;  

COD ID: 4115548
CIF file Formula: - C16 H28 N2 O5 -
Comments: Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs Journal of the American Chemical Society 123 (2001) 4469-4474
Space group: P 1 21 1
Cell volume: 904.24
Cell parameters: 11.5479; 5.9499; 14.0742; 90; 110.759; 90;  

COD ID: 4115549
CIF file Formula: - C24 F14 S6 -
Comments: Youichi Sakamoto; Shingo Komatsu; Toshiyasu Suzuki Tetradecafluorosexithiophene: The First Perfluorinated Oligothiophene Journal of the American Chemical Society 123 (2001) 4643-4644
Space group: P 1 21/c 1
Cell volume: 1236.3
Cell parameters: 18.549; 5.323; 13.214; 90; 108.631; 90;  

COD ID: 4115550
CIF file Formula: - C21 H31 N O4 -
Comments: Toshihiro Nishikawa; Hirotada Kakiya; Hiroshi Shinokubo; Koichiro Oshima Novel [2 + 2 + 2] Annulation of 1,6-Diynes Mediated by Methallylchromate or Methallylmagnesium Chloride under CrCl3 Catalysis Journal of the American Chemical Society 123 (2001) 4629-4630
Space group: P -1
Cell volume: 959.7
Cell parameters: 8.774; 11.073; 11.469; 72.3; 68.293; 71.564;  

COD ID: 4115551
CIF file Formula: - C59 H26 F20 N4 O2 Os -
Comments: Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes Journal of the American Chemical Society 123 (2001) 4843-4844
Space group: P 1 21/c 1
Cell volume: 5182.7
Cell parameters: 13.3136; 25.346; 15.93; 90; 105.392; 90;  

COD ID: 4115552
CIF file Formula: - C71 H34 Cl2 F20 N4 O2 Os -
Comments: Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes Journal of the American Chemical Society 123 (2001) 4843-4844
Space group: P 1 21/n 1
Cell volume: 6394.3
Cell parameters: 16.7755; 15.3103; 25.012; 90; 95.515; 90;  

COD ID: 4115553
CIF file Formula: - C59 H24 Cl2 F20 N6 O4 Os S2 -
Comments: Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes Journal of the American Chemical Society 123 (2001) 4843-4844
Space group: P 1 21/c 1
Cell volume: 6445
Cell parameters: 12.792; 18.517; 27.674; 90; 100.532; 90;  

COD ID: 4115554
CIF file Formula: - C45 H12 F20 N4 O3 Os -
Comments: Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes Journal of the American Chemical Society 123 (2001) 4843-4844
Space group: P 1 21/c 1
Cell volume: 2136.9
Cell parameters: 14.507; 13.088; 12.321; 90; 114.013; 90;  

COD ID: 4115555
CIF file Formula: - C6 H11 Cl2 F3 N2 O Si -
Comments: Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons Journal of the American Chemical Society 123 (2001) 4709-4716
Space group: P 1 21/n 1
Cell volume: 1206.1
Cell parameters: 12.487; 7.1123; 13.738; 90; 98.68; 90;  

COD ID: 4115556
CIF file Formula: - C24.5 H34.5 Cl9.5 N4 O3 Si2 -
Comments: Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons Journal of the American Chemical Society 123 (2001) 4709-4716
Space group: P 1 21/n 1
Cell volume: 3798.5
Cell parameters: 11.311; 17.41; 19.369; 90; 95.2; 90;  

COD ID: 4115557
CIF file Formula: - C9 H20 Cl4 N4 O2 Si -
Comments: Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons Journal of the American Chemical Society 123 (2001) 4709-4716
Space group: P 1 21 1
Cell volume: 879.9
Cell parameters: 6.1313; 21.369; 6.79; 90; 98.496; 90;  

COD ID: 4115558
CIF file Formula: - C30 H28 Cl2 N2 Si Zr -
Comments: John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts Journal of the American Chemical Society 123 (2001) 4763-4773
Space group: P 41 21 2
Cell volume: 5518.25
Cell parameters: 12.7198; 12.7198; 34.1068; 90; 90; 90;  

COD ID: 4115559
CIF file Formula: - C32 H30 Cl2 S2 Si Zr -
Comments: John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts Journal of the American Chemical Society 123 (2001) 4763-4773
Space group: P 1 21/c 1
Cell volume: 3002.85
Cell parameters: 9.5183; 35.7383; 8.8314; 90; 91.6932; 90;  

COD ID: 4115560
CIF file Formula: - C35 H36 Cl4 S2 Si Zr -
Comments: John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts Journal of the American Chemical Society 123 (2001) 4763-4773
Space group: P -1
Cell volume: 1754.64
Cell parameters: 11.7096; 12.6751; 12.7721; 96.9974; 106.851; 100.266;  

COD ID: 4115561
CIF file Formula: - C33.5 H32 Cl3 N Si Zr -
Comments: John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts Journal of the American Chemical Society 123 (2001) 4763-4773
Space group: I 1 2/a 1
Cell volume: 6264.61
Cell parameters: 13.7403; 17.3226; 26.3308; 90; 91.647; 90;  

COD ID: 4115562
CIF file Formula: - C48 H31 N3 S2 -
Comments: Simi K. Pushpan; Alagar Srinivasan; Venkataramanarao G. Anand; Sundararaman Venkatraman; Tavarekere K. Chandrashekar; Bhavani S. Joshi; Raja Roy; Hiroyuki Furuta N-Confused Expanded Porphyrin: First Example of a Modified Sapphyrin with an Inverted N-Confused Pyrrole Ring Journal of the American Chemical Society 123 (2001) 5138-5139
Space group: P -1
Cell volume: 3980.1
Cell parameters: 16.9197; 19.477; 12.7815; 96.889; 101.353; 75.1;  

COD ID: 4115563
CIF file Formula: - C4 H7 Au Cl N -
Comments: Robert E. Bachman; Michael S. Fioritto; Susan K. Fetics; T. Matthew Cocker The Structural and Functional Equivalence of Aurophilic and Hydrogen Bonding: Evidence for the First Examples of Rotator Phases Induced by Aurophilic Bonding Journal of the American Chemical Society 123 (2001) 5376-5377
Space group: P n m a
Cell volume: 686.6
Cell parameters: 23.7992; 6.2196; 4.6385; 90; 90; 90;  

COD ID: 4115564
CIF file Formula: - C3 H5 Au Cl N -
Comments: Robert E. Bachman; Michael S. Fioritto; Susan K. Fetics; T. Matthew Cocker The Structural and Functional Equivalence of Aurophilic and Hydrogen Bonding: Evidence for the First Examples of Rotator Phases Induced by Aurophilic Bonding Journal of the American Chemical Society 123 (2001) 5376-5377
Space group: P 1 21 1
Cell volume: 284.09
Cell parameters: 4.4742; 6.3259; 10.0957; 90; 96.167; 90;  

COD ID: 4115565
CIF file Formula: - C14 H23 N S -
Comments: Ilya D. Gridnev; Masaya Yasutake; Natsuka Higashi; Tsuneo Imamoto Asymmetric Hydrogenation of Enamides with Rh-BisP* and Rh-MiniPHOS Catalysts. Scope, Limitations, and Mechanism Journal of the American Chemical Society 123 (2001) 5268-5276
Space group: P 21 21 21
Cell volume: 1346.4
Cell parameters: 10.911; 17.975; 6.865; 90; 90; 90;  

COD ID: 4115566
CIF file Formula: - C26 H26 O3 -
Comments: Frédéric Robert; Anne Milet; Yves Gimbert; Denés Konya; Andrew E. Greene Regiochemistry in the Pauson-Khand Reaction: Has a Trans Effect Been Overlooked? Journal of the American Chemical Society 123 (2001) 5396-5400
Space group: P -1
Cell volume: 1033.3
Cell parameters: 5.827; 9.154; 19.59; 90.76; 92.54; 81.82;  

COD ID: 4115567
CIF file Formula: - C66 H86 O26 Ti4 -
Comments: Adel Rammal; Frédéric Brisach; Marc Henry Molecular Recognition of Titanium(IV) Alkoxides by 2,6-Bis(hydroxymethyl)-p-cresol in the Crystal Engineering of Hybrid Organic-Inorganic Networks Journal of the American Chemical Society 123 (2001) 5612-5613
Space group: P -1
Cell volume: 1764.2
Cell parameters: 11.1076; 11.871; 14.655; 80.769; 70.036; 77.303;  

COD ID: 4115568
CIF file Formula: - C131 H162 Cl18 O49 Ti8 -
Comments: Adel Rammal; Frédéric Brisach; Marc Henry Molecular Recognition of Titanium(IV) Alkoxides by 2,6-Bis(hydroxymethyl)-p-cresol in the Crystal Engineering of Hybrid Organic-Inorganic Networks Journal of the American Chemical Society 123 (2001) 5612-5613
Space group: P -1
Cell volume: 3995.1
Cell parameters: 12.8922; 14.1422; 22.8758; 81.271; 77.401; 81.55;  

COD ID: 4115569
CIF file Formula: - O64 Si32 -
Comments: Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR Journal of the American Chemical Society 123 (2001) 5453-5459
Space group: I 1 2/m 1
Cell volume: 1878.3
Cell parameters: 18.6794; 13.5313; 7.6028; 90; 102.196; 90;  

COD ID: 4115570
CIF file Formula: - O64 Si32 -
Comments: Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR Journal of the American Chemical Society 123 (2001) 5453-5459
Space group: I 1 2/m 1
Cell volume: 1876.3
Cell parameters: 18.6504; 13.4868; 7.6257; 90; 101.99; 90;  

COD ID: 4115571
CIF file Formula: - O64 Si32 -
Comments: Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR Journal of the American Chemical Society 123 (2001) 5453-5459
Space group: I 1 2/m 1
Cell volume: 1874.3
Cell parameters: 18.6277; 13.4777; 7.6305; 90; 101.927; 90;  

COD ID: 4115572
CIF file Formula: - C23 H31 B Cl2 N8 O Os -
Comments: Jake D. Soper; Werner Kaminsky; James M. Mayer Activation of an Anilido Ligand for Nucleophilic Aromatic Substitution by an Oxidizing Os(IV) Center Journal of the American Chemical Society 123 (2001) 5594-5595
Space group: P 1 21/c 1
Cell volume: 2698.3
Cell parameters: 12.195; 22.04; 16.888; 90; 143.526; 90;  

COD ID: 4115573
CIF file Formula: - C21 H26 B Cl2 N9 Os -
Comments: Jake D. Soper; Werner Kaminsky; James M. Mayer Activation of an Anilido Ligand for Nucleophilic Aromatic Substitution by an Oxidizing Os(IV) Center Journal of the American Chemical Society 123 (2001) 5594-5595
Space group: P 1 21/n 1
Cell volume: 2454.74
Cell parameters: 8.603; 27.533; 10.456; 90; 97.632; 90;  

COD ID: 4115574
CIF file Formula: - C18 H34 Cl2 Cu O9 S4 -
Comments: Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher Direct Evidence for a Geometrically Constrained "Entatic State" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates Journal of the American Chemical Society 123 (2001) 5720-5729
Space group: P -1
Cell volume: 1336.1
Cell parameters: 10.2133; 10.3016; 14.8454; 96.025; 99.522; 117.543;  

COD ID: 4115575
CIF file Formula: - C18 H36 Cl2 Cu O10 S4 -
Comments: Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher Direct Evidence for a Geometrically Constrained "Entatic State" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates Journal of the American Chemical Society 123 (2001) 5720-5729
Space group: P b c a
Cell volume: 2760
Cell parameters: 10.8358; 14.8072; 17.2021; 90; 90; 90;  

COD ID: 4115576
CIF file Formula: - C18 H36 Cl2 Cu O10 S4 -
Comments: Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher Direct Evidence for a Geometrically Constrained "Entatic State" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates Journal of the American Chemical Society 123 (2001) 5720-5729
Space group: P 1 21/n 1
Cell volume: 2786.3
Cell parameters: 20.0273; 6.996; 20.2965; 90; 101.536; 90;  

COD ID: 4115577
CIF file Formula: - C18 H32 Cl2 Cu O8 S4 -
Comments: Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher Direct Evidence for a Geometrically Constrained "Entatic State" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates Journal of the American Chemical Society 123 (2001) 5720-5729
Space group: P b c a
Cell volume: 5222.1
Cell parameters: 13.0498; 16.9827; 23.5634; 90; 90; 90;  

COD ID: 4115578
CIF file Formula: - C18 H34 Cl2 Cu O9 S4 -
Comments: Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher Direct Evidence for a Geometrically Constrained "Entatic State" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates Journal of the American Chemical Society 123 (2001) 5720-5729
Space group: P 1 21/n 1
Cell volume: 2751
Cell parameters: 11.537; 13.7475; 17.7187; 90; 101.785; 90;  

COD ID: 4115579
CIF file Formula: - C18 H32 Cl Cu O4 S4 -
Comments: Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher Direct Evidence for a Geometrically Constrained "Entatic State" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates Journal of the American Chemical Society 123 (2001) 5720-5729
Space group: P 1 21/n 1
Cell volume: 2325.2
Cell parameters: 10.916; 15.602; 13.66; 90; 91.87; 90;  

COD ID: 4115580
CIF file Formula: - Eu K Na2 O24 Si8 -
Comments: Duarte Ananias; Artur Ferreira; João Rocha; Paula Ferreira; José P. Rainho; Cláudia Morais; Luís D. Carlos Novel Microporous Europium and Terbium Silicates Journal of the American Chemical Society 123 (2001) 5735-5742
Space group: C 1 2/m 1
Cell volume: 2209.8
Cell parameters: 23.973; 14.04; 6.5655; 90; 90.352; 90;  

COD ID: 4115581
CIF file Formula: - K Na2 O24 Si8 Tb -
Comments: Duarte Ananias; Artur Ferreira; João Rocha; Paula Ferreira; José P. Rainho; Cláudia Morais; Luís D. Carlos Novel Microporous Europium and Terbium Silicates Journal of the American Chemical Society 123 (2001) 5735-5742
Space group: C 1 2/m 1
Cell volume: 2200.1
Cell parameters: 23.945; 14.019; 6.5542; 90; 90.288; 90;  

COD ID: 4115582
CIF file Formula: - C38.6 H56.2 N4 O8.4 -
Comments: Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith Selective Recognition of an Alkali Halide Contact Ion-Pair Journal of the American Chemical Society 123 (2001) 5847-5848
Space group: P b c a
Cell volume: 7701
Cell parameters: 9.4344; 27.089; 30.133; 90; 90; 90;  

COD ID: 4115583
CIF file Formula: - C39.2 H52.4 Cl K N4 O6.6 -
Comments: Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith Selective Recognition of an Alkali Halide Contact Ion-Pair Journal of the American Chemical Society 123 (2001) 5847-5848
Space group: P 1 21/c 1
Cell volume: 8019.3
Cell parameters: 22.6601; 13.1202; 27.7671; 90; 103.732; 90;  

COD ID: 4115584
CIF file Formula: - C38 H50 Cl N4 Na O6 -
Comments: Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith Selective Recognition of an Alkali Halide Contact Ion-Pair Journal of the American Chemical Society 123 (2001) 5847-5848
Space group: P b c a
Cell volume: 7622.6
Cell parameters: 23.818; 11.9742; 26.727; 90; 90; 90;  

COD ID: 4115585
CIF file Formula: - C10 H4 F12 O8 Rh2 -
Comments: F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina; Robert E. Taylor A Polymeric Chain in Which μ2,η2:η2-Ethene Symmetrically Bridges Tetra(trifluoroacetato) Dirhodium Molecules Journal of the American Chemical Society 123 (2001) 5831-5832
Space group: I 4/m
Cell volume: 958.31
Cell parameters: 11.5136; 11.5136; 7.2291; 90; 90; 90;  

COD ID: 4115586
CIF file Formula: - C25 H40 Fe N3 O6 -
Comments: Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues Journal of the American Chemical Society 123 (2001) 6025-6039
Space group: P -1
Cell volume: 5345.9
Cell parameters: 12.468; 17.667; 25.111; 79.81; 79.28; 89.99;  

COD ID: 4115587
CIF file Formula: - C26 H45 Co N3 O7.5 -
Comments: Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues Journal of the American Chemical Society 123 (2001) 6025-6039
Space group: C 1 2/c 1
Cell volume: 5779.2
Cell parameters: 49.743; 8.8465; 13.293; 90; 98.9; 90;  

COD ID: 4115588
CIF file Formula: - C17 H22 Fe N3 O4 S -
Comments: Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues Journal of the American Chemical Society 123 (2001) 6025-6039
Space group: P 1 21/n 1
Cell volume: 1770
Cell parameters: 7.3937; 13.8182; 17.329; 90; 91.293; 90;  

COD ID: 4115589
CIF file Formula: - C25 H40.33 Co N3 O5.17 S -
Comments: Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues Journal of the American Chemical Society 123 (2001) 6025-6039
Space group: P -3 c 1
Cell volume: 8760
Cell parameters: 27.694; 27.694; 13.188; 90; 90; 120;  

COD ID: 4115590
CIF file Formula: - C50 H44 N6 O2 -
Comments: Hiroyuki Furuta; Tomoya Ishizuka; Atsuhiro Osuka; Hirohisa Dejima; Hidenori Nakagawa; Yuichi Ishikawa NH Tautomerism of N-Confused Porphyrin Journal of the American Chemical Society 123 (2001) 6207-6208
Space group: P -1
Cell volume: 1982.1
Cell parameters: 13.178; 13.545; 12.6211; 116.169; 92.716; 98.691;  

COD ID: 4115591
CIF file Formula: - C45 H66.5 Cu5 La N12.5 O26 -
Comments: Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions Journal of the American Chemical Society 123 (2001) 6211-6212
Space group: P 32 2 1
Cell volume: 9772.24
Cell parameters: 15.2671; 15.2671; 48.4117; 90; 90; 120;  

COD ID: 4115592
CIF file Formula: - C96 H163 Cu10 La2 N20 O79 -
Comments: Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions Journal of the American Chemical Society 123 (2001) 6211-6212
Space group: P 1 21 1
Cell volume: 7752.9
Cell parameters: 14.6821; 38.1937; 15.6385; 90; 117.862; 90;  

COD ID: 4115593
CIF file Formula: - C107 H128 Cu10 Gd2 N20 O43 -
Comments: Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions Journal of the American Chemical Society 123 (2001) 6211-6212
Space group: P 1 21 1
Cell volume: 7042
Cell parameters: 15.098; 28.257; 16.887; 90; 102.185; 90;  

COD ID: 4115594
CIF file Formula: - Cl F10 Sb -
Comments: Karl O. Christe; Xiongzhi Zhang; Jeffrey A. Sheehy; Robert Bau Crystal Structure of ClF4+SbF6-, Normal Coordinate Analyses of ClF4+, BrF4+, IF4+, SF4, SeF4, and TeF4, and Simple Method for Calculating the Effects of Fluorine Bridging on the Structure and Vibrational Spectra of Ions in a Strongly Interacting Ionic Solid Journal of the American Chemical Society 123 (2001) 6338-6348
Space group: P b c m
Cell volume: 719.69
Cell parameters: 5.957; 15.17; 7.964; 90; 90; 90;  

COD ID: 4115595
CIF file Formula: - C26 H24 N2 O6 -
Comments: Shigeru Ohba; Hiroyuki Hosomi; Yoshikatsu Ito In Situ X-ray Observation of Pedal-like Conformational Change and Dimerization of trans-Cinnamamide in Cocrystals with Phthalic Acid Journal of the American Chemical Society 123 (2001) 6349-6352
Space group: P -1
Cell volume: 1169.5
Cell parameters: 9.507; 17.422; 7.591; 90.68; 105.79; 75.55;  

COD ID: 4115596
CIF file Formula: - C26 H24 N2 O6 -
Comments: Shigeru Ohba; Hiroyuki Hosomi; Yoshikatsu Ito In Situ X-ray Observation of Pedal-like Conformational Change and Dimerization of trans-Cinnamamide in Cocrystals with Phthalic Acid Journal of the American Chemical Society 123 (2001) 6349-6352
Space group: P -1
Cell volume: 1164.7
Cell parameters: 9.562; 17.401; 7.523; 90.82; 105.72; 75.51;  

COD ID: 4115597
CIF file Formula: - C42 H48 F Fe N5 O -
Comments: George B. Richter-Addo; Ralph A. Wheeler; Christopher Adam Hixson; Li Chen; Masood A. Khan; Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins Journal of the American Chemical Society 123 (2001) 6314-6326
Space group: P -1
Cell volume: 1742.8
Cell parameters: 10.487; 10.833; 15.804; 96.045; 97.114; 99.466;  

COD ID: 4115598
CIF file Formula: - C42 H48 F N5 O Ru -
Comments: George B. Richter-Addo; Ralph A. Wheeler; Christopher Adam Hixson; Li Chen; Masood A. Khan; Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins Journal of the American Chemical Society 123 (2001) 6314-6326
Space group: P -1
Cell volume: 1751.1
Cell parameters: 10.5223; 10.8549; 15.793; 96.051; 97.08; 99.464;  

COD ID: 4115599
CIF file Formula: - C42 H48 F N5 O Ru -
Comments: George B. Richter-Addo; Ralph A. Wheeler; Christopher Adam Hixson; Li Chen; Masood A. Khan; Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins Journal of the American Chemical Society 123 (2001) 6314-6326
Space group: P -1
Cell volume: 1796.2
Cell parameters: 10.6209; 10.9386; 15.9183; 95.705; 97.009; 99.61;  

COD ID: 4115600
CIF file Formula: - C25 H30 Cl2 Fe N6 O8 -
Comments: Kui Chen; Lawrence Que Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species Journal of the American Chemical Society 123 (2001) 6327-6337
Space group: P 1
Cell volume: 746.65
Cell parameters: 8.5581; 9.8036; 10.6673; 64.651; 68.683; 87.56;  

COD ID: 4115601
CIF file Formula: - C26 H31.5 Cl2 Fe N6.5 O8 -
Comments: Kui Chen; Lawrence Que Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species Journal of the American Chemical Society 123 (2001) 6327-6337
Space group: P -1
Cell volume: 1526.6
Cell parameters: 11.468; 11.835; 12.691; 74.252; 77.657; 68.165;  

COD ID: 4115602
CIF file Formula: - C24 H20 F6 Fe N4 O6 S2 -
Comments: Kui Chen; Lawrence Que Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species Journal of the American Chemical Society 123 (2001) 6327-6337
Space group: P 32
Cell volume: 2087.8
Cell parameters: 9.864; 9.864; 24.777; 90; 90; 120;  

COD ID: 4115603
CIF file Formula: - C26 H24 Cl2 Fe N4 O9 -
Comments: Kui Chen; Lawrence Que Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species Journal of the American Chemical Society 123 (2001) 6327-6337
Space group: P 1 21/n 1
Cell volume: 2732.2
Cell parameters: 10.0336; 16.0283; 17.3444; 90; 101.619; 90;  

COD ID: 4115604
CIF file Formula: - C61 H66 B2 F24 N6 O2 Pt Si -
Comments: Stefan Reinartz; Peter S. White; Maurice Brookhart; Joseph L. Templeton Five-Coordinate Trispyrazolylborate Dihydridosilyl Platinum(IV) Complexes Journal of the American Chemical Society 123 (2001) 6425-6426
Space group: P 1 21/c 1
Cell volume: 7001.1
Cell parameters: 12.4242; 22.4768; 25.1848; 90; 95.457; 90;  

COD ID: 4115605
CIF file Formula: - C42 H42 Bi2 O8 -
Comments: Yoshihiro Matano; Hazumi Nomura Dimeric Triarylbismuthane Oxide: A Novel Efficient Oxidant for the Conversion of Alcohols to Carbonyl Compounds Journal of the American Chemical Society 123 (2001) 6443-6444
Space group: P -1
Cell volume: 983.65
Cell parameters: 10.4018; 12.1622; 9.0988; 108.935; 104.073; 104.779;  

COD ID: 4115606
CIF file Formula: - C32 H50 N2 Pt -
Comments: Ulrich Fekl; Werner Kaminsky; Karen I. Goldberg A Stable Five-Coordinate Platinum(IV) Alkyl Complex Journal of the American Chemical Society 123 (2001) 6423-6424
Space group: P n a m
Cell volume: 3025.99
Cell parameters: 14.108; 9.847; 21.782; 90; 90; 90;  

COD ID: 4115607
CIF file Formula: - C32 H50 N2 Pt -
Comments: Ulrich Fekl; Werner Kaminsky; Karen I. Goldberg A Stable Five-Coordinate Platinum(IV) Alkyl Complex Journal of the American Chemical Society 123 (2001) 6423-6424
Space group: P 1 21 1
Cell volume: 1522.11
Cell parameters: 9.097; 13.953; 12.761; 90; 109.996; 90;  

COD ID: 4115608
CIF file Formula: - C44 H43 F6 Fe N O P Pd Sb -
Comments: Wei-Ping Deng; Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia; Jie Sun Importance of Planar Chirality in Chiral Catalysts with Three Chiral Elements: The Role of Planar Chirality in 2'-Substituted 1,1'-P,N-Ferrocene Ligands on the Enantioselectivity in Pd-Catalyzed Allylic Substitution Journal of the American Chemical Society 123 (2001) 6508-6519
Space group: P 1 21 1
Cell volume: 2109.5
Cell parameters: 10.296; 20.146; 10.392; 90; 101.86; 90;  

COD ID: 4115609
CIF file Formula: - C44 H43 F6 Fe N O P Pd Sb -
Comments: Wei-Ping Deng; Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia; Jie Sun Importance of Planar Chirality in Chiral Catalysts with Three Chiral Elements: The Role of Planar Chirality in 2'-Substituted 1,1'-P,N-Ferrocene Ligands on the Enantioselectivity in Pd-Catalyzed Allylic Substitution Journal of the American Chemical Society 123 (2001) 6508-6519
Space group: P 1 21 1
Cell volume: 4148.3
Cell parameters: 10.833; 19.344; 20.46; 90; 104.64; 90;  

COD ID: 4115610
CIF file Formula: - C25 H39 Cl2 N5 O12 Zn2 -
Comments: Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard Intermediate in β-Lactam Hydrolysis Catalyzed by a Dinuclear Zinc(II) Complex: Relevance to the Mechanism of Metallo-β-lactamase Journal of the American Chemical Society 123 (2001) 6555-6563
Space group: P -1
Cell volume: 1753.7
Cell parameters: 11.8183; 12.3733; 14.3086; 104.742; 113.604; 100.713;  

COD ID: 4115611
CIF file Formula: - C176.38 H281 Ba N52 O59.5 Si8 -
Comments: Xiaodong Shi; James C. Fettinger; Jeffery T. Davis Homochiral G-Quadruplexes with Ba2+ but Not with K+: The Cation Programs Enantiomeric Self-Recognition Journal of the American Chemical Society 123 (2001) 6738-6739
Space group: I 4
Cell volume: 24473
Cell parameters: 30.78; 30.78; 25.831; 90; 90; 90;  

COD ID: 4115612
CIF file Formula: - C35 H26 Cl2 F12 N2 Pt -
Comments: Lars Johansson; Olav B. Ryan; Christian Rømming; Mats Tilset Unexpected Selectivities in C-H Activations of Toluene and p-Xylene at Cationic Platinum(II) Diimine Complexes. New Mechanistic Insight into Product-Determining Factors Journal of the American Chemical Society 123 (2001) 6579-6590
Space group: P n m a
Cell volume: 3620.8
Cell parameters: 14.6594; 25.664; 9.6242; 90; 90; 90;  

COD ID: 4115613
CIF file Formula: - C22 H28 F6 Fe N4 O6 S2 -
Comments: Miquel Costas; Adrianne K. Tipton; Kui Chen; Du-Hwan Jo; Lawrence Que Modeling Rieske Dioxygenases: The First Example of Iron-Catalyzed Asymmetric cis-Dihydroxylation of Olefins Journal of the American Chemical Society 123 (2001) 6722-6723
Space group: P 1 21 1
Cell volume: 1406.85
Cell parameters: 9.1018; 9.7593; 16.2; 90; 102.135; 90;  

COD ID: 4115614
CIF file Formula: - C24 H32 F6 Fe N4 O6 S2 -
Comments: Miquel Costas; Adrianne K. Tipton; Kui Chen; Du-Hwan Jo; Lawrence Que Modeling Rieske Dioxygenases: The First Example of Iron-Catalyzed Asymmetric cis-Dihydroxylation of Olefins Journal of the American Chemical Society 123 (2001) 6722-6723
Space group: P 1 21/n 1
Cell volume: 2891
Cell parameters: 14.872; 12.906; 16.543; 90; 114.426; 90;  

COD ID: 4115615
CIF file Formula: - C27 H31 N O5 -
Comments: William H. Pearson; Yuan Mi; Ill Young Lee; Patrick Stoy Total Synthesis of the Kopsialapidilecta Alkaloid (±)-Lapidilectine B Journal of the American Chemical Society 123 (2001) 6724-6725
Space group: P 1 21/n 1
Cell volume: 2314.3
Cell parameters: 8.9289; 14.1467; 18.5624; 90; 99.235; 90;  

COD ID: 4115616
CIF file Formula: - C13 H4 Cl6 N2 -
Comments: Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi Structure Analysis of a Transient Triplet Carbene Trapped in a Crystal Journal of the American Chemical Society 123 (2001) 6904-6908
Space group: P 1 21/n 1
Cell volume: 1512.3
Cell parameters: 9.6777; 12.76; 12.248; 90; 90.975; 90;  

COD ID: 4115617
CIF file Formula: - C13 H4 Cl6 N2 -
Comments: Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi Structure Analysis of a Transient Triplet Carbene Trapped in a Crystal Journal of the American Chemical Society 123 (2001) 6904-6908
Space group: P 1 21/n 1
Cell volume: 1527.8
Cell parameters: 9.731; 12.813; 12.254; 90; 90.549; 90;  

COD ID: 4115618
CIF file Formula: - C28 H25 F3 O2 -
Comments: Masaki Shimizu; Takuya Fujimoto; Hiroshi Minezaki; Takeshi Hata; Tamejiro Hiyama New, General, and Stereoselective Synthesis of CF3-Containing Tri- and Tetrasubstituted Oxiranes and Tetrasubstituted Alkenes Journal of the American Chemical Society 123 (2001) 6947-6948
Space group: P 1 21/n 1
Cell volume: 2400.8
Cell parameters: 9.1478; 9.7682; 26.9267; 90; 93.805; 90;  

COD ID: 4115619
CIF file Formula: - C28 H27 F3 O2 -
Comments: Masaki Shimizu; Takuya Fujimoto; Hiroshi Minezaki; Takeshi Hata; Tamejiro Hiyama New, General, and Stereoselective Synthesis of CF3-Containing Tri- and Tetrasubstituted Oxiranes and Tetrasubstituted Alkenes Journal of the American Chemical Society 123 (2001) 6947-6948
Space group: P 1 21/n 1
Cell volume: 2401.8
Cell parameters: 9.236; 9.8058; 26.6954; 90; 96.568; 90;  

COD ID: 4115620
CIF file Formula: - C21 H19 F3 -
Comments: Masaki Shimizu; Takuya Fujimoto; Hiroshi Minezaki; Takeshi Hata; Tamejiro Hiyama New, General, and Stereoselective Synthesis of CF3-Containing Tri- and Tetrasubstituted Oxiranes and Tetrasubstituted Alkenes Journal of the American Chemical Society 123 (2001) 6947-6948
Space group: P 1 21 1
Cell volume: 905.5
Cell parameters: 5.9675; 17.107; 9.1531; 90; 104.289; 90;  

COD ID: 4115621
CIF file Formula: - C38 H60 O16 -
Comments: Jerry L. Atwood; Leonard J. Barbour; Timothy J. Ness; Colin L. Raston; Paul L. Raston A Well-Resolved Ice-like (H2O)8 Cluster in an Organic Supramolecular Complex Journal of the American Chemical Society 123 (2001) 7192-7193
Space group: P 42/n m c :2
Cell volume: 3972.4
Cell parameters: 16.2553; 16.2553; 15.0336; 90; 90; 90;  

COD ID: 4115622
CIF file Formula: - C15 H16 N5 O3 -
Comments: Robin G. Hicks; Martin T. Lemaire; Lars Öhrström; John F. Richardson; Laurence K. Thompson; Zhiqiang Xu Strong Supramolecular-Based Magnetic Exchange in π-Stacked Radicals. Structure and Magnetism of a Hydrogen-Bonded Verdazyl Radical: Hydroquinone Molecular Solid Journal of the American Chemical Society 123 (2001) 7154-7159
Space group: P -1
Cell volume: 751.5
Cell parameters: 6.82; 10.45; 10.738; 85.93; 80.161; 87.029;  

COD ID: 4115623
CIF file Formula: - C21 H28 Br F3 N2 O4 Pt S -
Comments: Martin Albrecht; Anthony L. Spek; Gerard van Koten Carenium-Calkyl Bond Making and Breaking: Key Process in the Platinum-Mediated Caryl-Calkyl Bond Formation. Analogies to Organic Electrophilic Aromatic Substitution Journal of the American Chemical Society 123 (2001) 7233-7246
Space group: P 1 21/c 1
Cell volume: 2888.6
Cell parameters: 12.0016; 17.7331; 15.008; 90; 115.263; 90;  

COD ID: 4115624
CIF file Formula: - C15 H24 F3 I N2 O4 Pt S -
Comments: Martin Albrecht; Anthony L. Spek; Gerard van Koten Carenium-Calkyl Bond Making and Breaking: Key Process in the Platinum-Mediated Caryl-Calkyl Bond Formation. Analogies to Organic Electrophilic Aromatic Substitution Journal of the American Chemical Society 123 (2001) 7233-7246
Space group: P 1 21/c 1
Cell volume: 2077.2
Cell parameters: 10.9657; 15.9029; 11.9313; 90; 93.304; 90;  

COD ID: 4115625
CIF file Formula: - C23 H38 B Cl N7 Rh -
Comments: Todd O. Northcutt; Douglas D. Wick; Andrew J. Vetter; William D. Jones Investigation of the Mechanism of Alkane Reductive Elimination and Skeletal Isomerization in Tp'Rh(CNneopentyl)(R)H Complexes: The Role of Alkane Complexes Journal of the American Chemical Society 123 (2001) 7257-7270
Space group: P 21 21 21
Cell volume: 2833
Cell parameters: 11.168; 15.415; 16.456; 90; 90; 90;  

COD ID: 4115626
CIF file Formula: - C28 H48 B Cl3 N7 Rh -
Comments: Todd O. Northcutt; Douglas D. Wick; Andrew J. Vetter; William D. Jones Investigation of the Mechanism of Alkane Reductive Elimination and Skeletal Isomerization in Tp'Rh(CNneopentyl)(R)H Complexes: The Role of Alkane Complexes Journal of the American Chemical Society 123 (2001) 7257-7270
Space group: P 1 21/c 1
Cell volume: 3412.38
Cell parameters: 16.6278; 13.1465; 17.4185; 90; 116.338; 90;  

COD ID: 4115627
CIF file Formula: - C15 H13 Cl Mo N2 O2 -
Comments: Julio Pérez; Lucía Riera; Víctor Riera; Santiago García-Granda; Esther García-Rodríguez Reactivity of [MoX(η3-allyl)(CO)2(N-N)] Complexes with Simple, Nonstabilized Carbanions Journal of the American Chemical Society 123 (2001) 7469-7470
Space group: P 1 21/c 1
Cell volume: 1548
Cell parameters: 8.379; 13.572; 13.958; 90; 102.78; 90;  

COD ID: 4115628
CIF file Formula: - C18 H16 Cl Mo N2 O2 -
Comments: Julio Pérez; Lucía Riera; Víctor Riera; Santiago García-Granda; Esther García-Rodríguez Reactivity of [MoX(η3-allyl)(CO)2(N-N)] Complexes with Simple, Nonstabilized Carbanions Journal of the American Chemical Society 123 (2001) 7469-7470
Space group: P 1 21/c 1
Cell volume: 1626
Cell parameters: 9.32; 12.351; 14.38; 90; 100.8; 90;  

COD ID: 4115629
CIF file Formula: - C50 H52 N4 O8 -
Comments: Yong S. Chong; Mark D. Smith; Ken D. Shimizu A Conformationally Programmable Ligand Journal of the American Chemical Society 123 (2001) 7463-7464
Space group: P 1 21/c 1
Cell volume: 2184.5
Cell parameters: 14.2184; 20.7021; 7.5034; 90; 98.479; 90;  

COD ID: 4115630
CIF file Formula: - C49 H48 Cl2 N4 O7 Pd -
Comments: Yong S. Chong; Mark D. Smith; Ken D. Shimizu A Conformationally Programmable Ligand Journal of the American Chemical Society 123 (2001) 7463-7464
Space group: P -1
Cell volume: 2213.5
Cell parameters: 11.2844; 11.4009; 18.2311; 80.542; 73.825; 82.607;  

COD ID: 4115631
CIF file Formula: - C50 H50 N2 P2 Ru -
Comments: Kamaluddin Abdur-Rashid; Michael Faatz; Alan J. Lough; Robert H. Morris Catalytic Cycle for the Asymmetric Hydrogenation of Prochiral Ketones to Chiral Alcohols: Direct Hydride and Proton Transfer from Chiral Catalysts trans-Ru(H)2(diphosphine)(diamine) to Ketones and Direct Addition of Dihydrogen to the Resulting Hydridoamido Complexes Journal of the American Chemical Society 123 (2001) 7473-7474
Space group: P 21 21 21
Cell volume: 4165.37
Cell parameters: 14.4792; 14.5693; 19.7456; 90; 90; 90;  

COD ID: 4115632
CIF file Formula: - C50 H49 Cl N2 P2 Ru -
Comments: Kamaluddin Abdur-Rashid; Michael Faatz; Alan J. Lough; Robert H. Morris Catalytic Cycle for the Asymmetric Hydrogenation of Prochiral Ketones to Chiral Alcohols: Direct Hydride and Proton Transfer from Chiral Catalysts trans-Ru(H)2(diphosphine)(diamine) to Ketones and Direct Addition of Dihydrogen to the Resulting Hydridoamido Complexes Journal of the American Chemical Society 123 (2001) 7473-7474
Space group: P 41 21 2
Cell volume: 9141.7
Cell parameters: 11.196; 11.196; 72.929; 90; 90; 90;  

COD ID: 4115633
CIF file Formula: - C43 H39 Fe N2 O3 P -
Comments: Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands Journal of the American Chemical Society 123 (2001) 7471-7472
Space group: P 21 21 21
Cell volume: 3658.8
Cell parameters: 17.833; 21.556; 9.518; 90; 90; 90;  

COD ID: 4115634
CIF file Formula: - C40 H41 Fe N2 O3 P -
Comments: Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands Journal of the American Chemical Society 123 (2001) 7471-7472
Space group: P 21 21 21
Cell volume: 3643.1
Cell parameters: 13.701; 19.894; 13.366; 90; 90; 90;  

COD ID: 4115635
CIF file Formula: - C41 H43 Fe N2 O3 P -
Comments: Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands Journal of the American Chemical Society 123 (2001) 7471-7472
Space group: P 1 21 1
Cell volume: 1805.1
Cell parameters: 11.146; 14.417; 11.537; 90; 103.18; 90;  

COD ID: 4115636
CIF file Formula: - C44 H41 Fe N2 O3 P -
Comments: Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands Journal of the American Chemical Society 123 (2001) 7471-7472
Space group: P 1 21 1
Cell volume: 1856.9
Cell parameters: 11.69; 11.872; 13.39; 90; 92.229; 90;  

COD ID: 4115637
CIF file Formula: - C40 H41 Fe N2 O3 P -
Comments: Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands Journal of the American Chemical Society 123 (2001) 7471-7472
Space group: P 21 21 21
Cell volume: 3475.5
Cell parameters: 17.917; 19.423; 9.987; 90; 90; 90;  

COD ID: 4115638
CIF file Formula: - C61 H56 F24 Mn2 N4 O12 -
Comments: Fabrice Mathevet; Dominique Luneau Interpenetrated 3D Polymeric Metal-Radical Networks Built from a Tetranitroxide Radical and Bis(hexafluoroacethylacetonato) Manganese(II) Journal of the American Chemical Society 123 (2001) 7465-7466
Space group: P 41 21 2
Cell volume: 16776.2
Cell parameters: 20.1716; 20.1716; 41.23; 90; 90; 90;  

COD ID: 4115639
CIF file Formula: - C28 H10 Ag16 F36 O29 -
Comments: Quan-Ming Wang; Thomas C. W. Mak Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates Journal of the American Chemical Society 123 (2001) 7594-7600
Space group: P -1
Cell volume: 3243
Cell parameters: 12.795; 13.032; 20.864; 81.911; 84.45; 70.545;  

COD ID: 4115640
CIF file Formula: - C20 H9 Ag8 F18 N3 O12 -
Comments: Quan-Ming Wang; Thomas C. W. Mak Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates Journal of the American Chemical Society 123 (2001) 7594-7600
Space group: C 1 2/c 1
Cell volume: 7427.5
Cell parameters: 35.465; 7.8927; 31.241; 90; 121.858; 90;  

COD ID: 4115641
CIF file Formula: - C75 H40 Ag31 F69 N7 O48.5 -
Comments: Quan-Ming Wang; Thomas C. W. Mak Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates Journal of the American Chemical Society 123 (2001) 7594-7600
Space group: P 1 21/c 1
Cell volume: 14755
Cell parameters: 17.205; 32.735; 27.257; 90; 106.021; 90;  

COD ID: 4115642
CIF file Formula: - C32 H19 Ag12 F50 O29.5 -
Comments: Quan-Ming Wang; Thomas C. W. Mak Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates Journal of the American Chemical Society 123 (2001) 7594-7600
Space group: P -1
Cell volume: 4001.1
Cell parameters: 15.6; 16.9494; 17.1426; 111.716; 94.238; 104.719;  

COD ID: 4115643
CIF file Formula: - C35 H11 Ag11 F45 N3 O19 -
Comments: Quan-Ming Wang; Thomas C. W. Mak Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates Journal of the American Chemical Society 123 (2001) 7594-7600
Space group: P 1 21/n 1
Cell volume: 7038
Cell parameters: 16.083; 19.9707; 21.994; 90; 94.935; 90;  

COD ID: 4115644
CIF file Formula: - C26 H10 Ag8 F30 N2 O12 -
Comments: Quan-Ming Wang; Thomas C. W. Mak Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates Journal of the American Chemical Society 123 (2001) 7594-7600
Space group: P 1 21/n 1
Cell volume: 4836
Cell parameters: 11.685; 16.439; 25.22; 90; 93.486; 90;  

COD ID: 4115645
CIF file Formula: - C2 H4 F2 Mo0.5 N O2 Zn0.5 -
Comments: Paul A. Maggard; Charlotte L. Stern; Kenneth R. Poeppelmeier Understanding the Role of Helical Chains in the Formation of Noncentrosymmetric Solids Journal of the American Chemical Society 123 (2001) 7742-7743
Space group: P 31 2 1
Cell volume: 743.11
Cell parameters: 7.225; 7.225; 16.438; 90; 90; 120;  

COD ID: 4115646
CIF file Formula: - C30 H41 K O6 Si -
Comments: Michael J. Bearpark; G. Sean McGrady; Paul D. Prince; Jonathan W. Steed The First Structurally Characterized Hypervalent Silicon Hydride: Unexpected Molecular Geometry and Si-H...K Interactions Journal of the American Chemical Society 123 (2001) 7736-7737
Space group: R 3 :R
Cell volume: 815.2
Cell parameters: 9.4424; 9.4424; 9.4424; 97.93; 97.93; 97.93;  

COD ID: 4115647
CIF file Formula: - C30 H41 K O6 Si -
Comments: Michael J. Bearpark; G. Sean McGrady; Paul D. Prince; Jonathan W. Steed The First Structurally Characterized Hypervalent Silicon Hydride: Unexpected Molecular Geometry and Si-H...K Interactions Journal of the American Chemical Society 123 (2001) 7736-7737
Space group: P 1 21/n 1
Cell volume: 3063.1
Cell parameters: 9.3861; 20.2252; 16.5969; 90; 103.54; 90;  

COD ID: 4115648
CIF file Formula: - C78 H70 Cl12 I2 O6 W -
Comments: Arkadi Vigalok; Zhengguo Zhu; Timothy M. Swager Conducting Polymers Incorporating Tungsten-Capped Calixarenes Journal of the American Chemical Society 123 (2001) 7917-7918
Space group: I 1 2/a 1
Cell volume: 7693
Cell parameters: 26.574; 10.2177; 28.363; 90; 92.702; 90;  

COD ID: 4115649
CIF file Formula: - C48 H36 Cl4 O10 S2 W -
Comments: Arkadi Vigalok; Zhengguo Zhu; Timothy M. Swager Conducting Polymers Incorporating Tungsten-Capped Calixarenes Journal of the American Chemical Society 123 (2001) 7917-7918
Space group: P -1
Cell volume: 2180.3
Cell parameters: 12.279; 12.373; 15.036; 77.306; 85.491; 78.231;  

COD ID: 4115650
CIF file Formula: - C28 H70 Cl16 N6 Si8 -
Comments: Seok-Bong Choi; Beon-Kyu Kim; Philip Boudjouk; Dean G. Grier Amine-Promoted Disproportionation and Redistribution of Trichlorosilane: Formation of Tetradecachlorocyclohexasilane Dianion1 Journal of the American Chemical Society 123 (2001) 8117-8118
Space group: P b c a
Cell volume: 11845.1
Cell parameters: 19.7106; 22.1508; 27.13; 90; 90; 90;  

COD ID: 4115651
CIF file Formula: - C30 H48 Li2 N2 O2 -
Comments: Hans J. Reich; Wayne S. Goldenberg; Birgir Ö. Gudmundsson; Aaron W. Sanders; Klaus J. Kulicke; Katya Simon; Ilia A. Guzei Amine-Chelated Aryllithium Reagents Structure and Dynamics Journal of the American Chemical Society 123 (2001) 8067-8079
Space group: P -1
Cell volume: 754.58
Cell parameters: 8.8594; 9.8398; 10.4018; 117.115; 102.521; 98.701;  

COD ID: 4115652
CIF file Formula: - C72 H107 Li6 O5 -
Comments: Bao-Tsan Ko; Chu-Chieh Lin Synthesis, Characterization, and Catalysis of Mixed-Ligand Lithium Aggregates, Excellent Initiators for the Ring-Opening Polymerization of l-Lactide Journal of the American Chemical Society 123 (2001) 7973-7977
Space group: P -1
Cell volume: 3664.1
Cell parameters: 14.4314; 14.9036; 19.5363; 72.994; 72.148; 69.476;  

COD ID: 4115653
CIF file Formula: - C74 H102 Li6 O6 -
Comments: Bao-Tsan Ko; Chu-Chieh Lin Synthesis, Characterization, and Catalysis of Mixed-Ligand Lithium Aggregates, Excellent Initiators for the Ring-Opening Polymerization of l-Lactide Journal of the American Chemical Society 123 (2001) 7973-7977
Space group: P -1
Cell volume: 3615.5
Cell parameters: 15.116; 15.529; 18.533; 112.709; 96.635; 109.956;  

COD ID: 4115654
CIF file Formula: - C68 H106 Li6 O8 -
Comments: Bao-Tsan Ko; Chu-Chieh Lin Synthesis, Characterization, and Catalysis of Mixed-Ligand Lithium Aggregates, Excellent Initiators for the Ring-Opening Polymerization of l-Lactide Journal of the American Chemical Society 123 (2001) 7973-7977
Space group: P 1 21/n 1
Cell volume: 7045.6
Cell parameters: 14.3036; 18.577; 26.811; 90; 98.519; 90;  

COD ID: 4115655
CIF file Formula: - C54 H114 N6 O3 Re6 Se8 -
Comments: Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance Journal of the American Chemical Society 123 (2001) 8022-8032
Space group: C 1 2/m 1
Cell volume: 4453.7
Cell parameters: 15.5294; 20.5554; 13.9577; 90; 91.62; 90;  

COD ID: 4115656
CIF file Formula: - C18 H72 Fe4 N18 O36 Re18 Se24 -
Comments: Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance Journal of the American Chemical Society 123 (2001) 8022-8032
Space group: F m -3 m
Cell volume: 2890.9
Cell parameters: 14.2455; 14.2455; 14.2455; 90; 90; 90;  

COD ID: 4115657
CIF file

HKL data

 Formula: - C4 N4 Ni O11.45 Re4 Se5.33 -
Comments: Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance Journal of the American Chemical Society 123 (2001) 8022-8032
Space group: F m -3 m
Cell volume: 2885.48
Cell parameters: 14.23659; 14.23659; 14.23659; 90; 90; 90;  

COD ID: 4115658
CIF file

HKL data

 Formula: - C6 Ga N6 O8 Re6 Se8 -
Comments: Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance Journal of the American Chemical Society 123 (2001) 8022-8032
Space group: F m -3 m
Cell volume: 2821.3
Cell parameters: 14.13025; 14.13025; 14.13025; 90; 90; 90;  

COD ID: 4115659
CIF file Formula: - C6 H9 Fe N6 O4 Re6 Se8 -
Comments: Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance Journal of the American Chemical Society 123 (2001) 8022-8032
Space group: P 31 2 1
Cell volume: 1920.6
Cell parameters: 12.7255; 12.7255; 13.6945; 90; 90; 120;  

COD ID: 4115660
CIF file Formula: - C11 H16 N2 O -
Comments: Helfried Neumann; Axel Jacobi von Wangelin; Dirk Gördes; Anke Spannenberg; Matthias Beller A New Multicomponent Coupling of Aldehydes, Amides, and Dienophiles: Atom-Efficient One-Pot Synthesis of Highly Substituted Cyclohexenes and Cyclohexadienes Journal of the American Chemical Society 123 (2001) 8398-8399
Space group: P 1 21/c 1
Cell volume: 1126.1
Cell parameters: 8.643; 15.147; 9.364; 90; 113.28; 90;  

COD ID: 4115661
CIF file Formula: - C41 H75 B F4 N2 P2 Pt -
Comments: David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study Journal of the American Chemical Society 123 (2001) 8317-8328
Space group: P 1 21/n 1
Cell volume: 4297.7
Cell parameters: 12.245; 16.533; 21.36; 90; 96.348; 90;  

COD ID: 4115662
CIF file Formula: - C45 H46 B Cl4 F4 I N2 P2 Pt -
Comments: David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study Journal of the American Chemical Society 123 (2001) 8317-8328
Space group: P n m a
Cell volume: 4726.5
Cell parameters: 18.989; 15.97; 15.586; 90; 90; 90;  

COD ID: 4115663
CIF file Formula: - C43 H62 Cl2 O P2 Pd -
Comments: David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study Journal of the American Chemical Society 123 (2001) 8317-8328
Space group: P n a 21
Cell volume: 4186
Cell parameters: 13.479; 19.785; 15.6967; 90; 90; 90;  

COD ID: 4115664
CIF file Formula: - C43 H79 B Cl4 F4 N2 P2 Pt -
Comments: David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study Journal of the American Chemical Society 123 (2001) 8317-8328
Space group: P -1
Cell volume: 2480.2
Cell parameters: 11.5338; 15.0977; 15.1892; 85.795; 75.59; 75.522;  

COD ID: 4115665
CIF file Formula: - C9 H11 Cl2 N O Pd -
Comments: Peter Nilsson; Mats Larhed; Anders Hallberg Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process Journal of the American Chemical Society 123 (2001) 8217-8225
Space group: P b c a
Cell volume: 2211.97
Cell parameters: 9.8468; 14.0391; 16.0009; 90; 90; 90;  

COD ID: 4115666
CIF file Formula: - C36 H42 Cl2 N2 O2 Pd -
Comments: Peter Nilsson; Mats Larhed; Anders Hallberg Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process Journal of the American Chemical Society 123 (2001) 8217-8225
Space group: P 1 21/c 1
Cell volume: 1700.1
Cell parameters: 17.9444; 11.6019; 8.2731; 90; 99.22; 90;  

COD ID: 4115667
CIF file Formula: - C8 H9 Cl2 N O Pd -
Comments: Peter Nilsson; Mats Larhed; Anders Hallberg Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process Journal of the American Chemical Society 123 (2001) 8217-8225
Space group: P 1 21/c 1
Cell volume: 980.9
Cell parameters: 8.223; 17.301; 7.433; 90; 111.931; 90;  

COD ID: 4115668
CIF file Formula: - C36 H74 Cl Fe N4 O Si2 Ta -
Comments: Joseph A. R. Schmidt; John Arnold Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand Journal of the American Chemical Society 123 (2001) 8424-8425
Space group: P b c a
Cell volume: 9175.6
Cell parameters: 21.2081; 14.743; 29.3458; 90; 90; 90;  

COD ID: 4115669
CIF file Formula: - C34 H60 Li N4 O Si Ta -
Comments: Joseph A. R. Schmidt; John Arnold Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand Journal of the American Chemical Society 123 (2001) 8424-8425
Space group: P -1
Cell volume: 1806.54
Cell parameters: 11.5447; 13.0903; 13.6676; 63.756; 84.93; 77.214;  

COD ID: 4115670
CIF file Formula: - C33 H64 Li N4 O Si2 Ta -
Comments: Joseph A. R. Schmidt; John Arnold Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand Journal of the American Chemical Society 123 (2001) 8424-8425
Space group: P b c a
Cell volume: 8079.9
Cell parameters: 17.1859; 19.2859; 24.3778; 90; 90; 90;  

COD ID: 4115671
CIF file Formula: - C44 H86 N4 O Rh Si2 Ta -
Comments: Joseph A. R. Schmidt; John Arnold Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand Journal of the American Chemical Society 123 (2001) 8424-8425
Space group: P -1
Cell volume: 2464.74
Cell parameters: 11.005; 13.5425; 17.5754; 108.303; 93.722; 95.154;  

COD ID: 4115672
CIF file Formula: - C104 H134 Cl2 N8 O16 Zn -
Comments: Olivier Sénèque; Marie-Noëlle Rager; Michel Giorgi; Olivia Reinaud Supramolecular Stabilization of a Tris(imidazolyl) Zn-Aqua Complex Evidenced by X-ray Analysis: A Structural Model for Mono-Zinc Active Sites of Enzymes Journal of the American Chemical Society 123 (2001) 8442-8443
Space group: P 1 21/c 1
Cell volume: 10448.9
Cell parameters: 23.7459; 16.1047; 27.4967; 90; 96.4411; 90;  

COD ID: 4115673
CIF file Formula: - C43 H46 Cl4 N2 O2 P2 Ru2 -
Comments: Craig B. Pamplin; Erin S. F. Ma; Nasser Safari; Steven J. Rettig; Brian R. James The Nitrous Oxide Complex, RuCl2(η1-N2O)(P-N)(PPh3) (P-N = [o-(N,N-Dimethylamino)phenyl]diphenylphosphine); Low Temperature Conversion of N2O to N2 and O2 Journal of the American Chemical Society 123 (2001) 8596-8597
Space group: P 1 21/a 1
Cell volume: 4320
Cell parameters: 18.1176; 9.5777; 25.2917; 90; 100.156; 90;  

COD ID: 4115674
CIF file Formula: - C14 H49 B30 Hg3 I0.5 Li0.5 N O2 -
Comments: Hans Lee; Carolyn B. Knobler; M. Frederick Hawthorne Octahedral Coordination of Halide Ions (I-, Br-, Cl-) Sandwich Bonded with Tridentate Mercuracarborand-3 Receptors Journal of the American Chemical Society 123 (2001) 8543-8549
Space group: P -1
Cell volume: 2261
Cell parameters: 13.312; 13.982; 13.995; 61.16; 82.34; 86.58;  

COD ID: 4115675
CIF file Formula: - C24.5 H56.5 B30 Br0.5 Hg3 O1.5 P0.5 -
Comments: Hans Lee; Carolyn B. Knobler; M. Frederick Hawthorne Octahedral Coordination of Halide Ions (I-, Br-, Cl-) Sandwich Bonded with Tridentate Mercuracarborand-3 Receptors Journal of the American Chemical Society 123 (2001) 8543-8549
Space group: C 1 2/c 1
Cell volume: 10847
Cell parameters: 24.671; 17.576; 26.079; 90; 106.424; 90;  

COD ID: 4115676
CIF file Formula: - C60 H114 B60 Cl Hg6 N P2 -
Comments: Hans Lee; Carolyn B. Knobler; M. Frederick Hawthorne Octahedral Coordination of Halide Ions (I-, Br-, Cl-) Sandwich Bonded with Tridentate Mercuracarborand-3 Receptors Journal of the American Chemical Society 123 (2001) 8543-8549
Space group: C 1 2/m 1
Cell volume: 11775
Cell parameters: 37.267; 29.254; 10.99; 90; 100.659; 90;  

COD ID: 4115677
CIF file Formula: - C74 H66.5 Cl N4 S4 -
Comments: Venkataramanarao G. Anand; Simi K. Pushpan; Sundararaman Venkatraman; Abhishek Dey; Tavarekere K. Chandrashekar; Bhavani S. Joshi; Raja Roy; Weijie Teng; Karin Ruhlandt Senge 34π Octaphyrin: First Structural Characterization of a Planar, Aromatic [1.0.1.0.1.0.1.0] Octaphyrin with Inverted Heterocyclic Rings Journal of the American Chemical Society 123 (2001) 8620-8621
Space group: P -1
Cell volume: 7117.4
Cell parameters: 15.3559; 21.8104; 23.3825; 100.034; 100.712; 107.426;  

COD ID: 4115678
CIF file Formula: - C76 H66 Ir2 N2 P4 S2 -
Comments: Rachel C. Linck; Robert J. Pafford; Thomas B. Rauchfuss Heterolytic and Homolytic Activation of Dihydrogen at an Unusual Iridium (II) Sulfide Journal of the American Chemical Society 123 (2001) 8856-8857
Space group: C 1 2/c 1
Cell volume: 6581
Cell parameters: 22.6333; 13.1125; 24.0252; 90; 112.635; 90;  

COD ID: 4115679
CIF file Formula: - C78 H74 Ir2 O2 P4 S2 -
Comments: Rachel C. Linck; Robert J. Pafford; Thomas B. Rauchfuss Heterolytic and Homolytic Activation of Dihydrogen at an Unusual Iridium (II) Sulfide Journal of the American Chemical Society 123 (2001) 8856-8857
Space group: C 1 2/c 1
Cell volume: 6716.3
Cell parameters: 23.3048; 13.1143; 24.1374; 90; 114.435; 90;  

COD ID: 4115680
CIF file Formula: - Ag4 I4 O24 U4 -
Comments: Amanda C. Bean; Charles F. Campana; Ohyun Kwon; Thomas E. Albrecht-Schmitt A New Oxoanion: [IO4]3- Containing I(V) with a Stereochemically Active Lone-Pair in the Silver Uranyl Iodate Tetraoxoiodate(V), Ag4(UO2)4(IO3)2(IO4)2O2 Journal of the American Chemical Society 123 (2001) 8806-8810
Space group: P 1 21/n 1
Cell volume: 2180.9
Cell parameters: 15.04; 8.051; 18.332; 90; 100.738; 90;  

COD ID: 4115681
CIF file Formula: - C28 H34 F2 N2 O66 Si32 -
Comments: Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media Journal of the American Chemical Society 123 (2001) 8797-8805
Space group: I 1 m 1
Cell volume: 1876.1
Cell parameters: 18.51; 13.4478; 7.6928; 90; 101.552; 90;  

COD ID: 4115682
CIF file Formula: - C28 H34 F2 N2 O66 Si32 -
Comments: Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media Journal of the American Chemical Society 123 (2001) 8797-8805
Space group: I 1 m 1
Cell volume: 1889.08
Cell parameters: 18.571; 13.4943; 7.7153; 90; 102.302; 90;  

COD ID: 4115683
CIF file Formula: - C24 H48 F2 N2 O64 Si32 -
Comments: Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media Journal of the American Chemical Society 123 (2001) 8797-8805
Space group: P 1 21/c 1
Cell volume: 1867.84
Cell parameters: 7.4573; 18.0966; 14.0233; 90; 99.254; 90;  

COD ID: 4115684
CIF file Formula: - C33 H33 N3 O9 -
Comments: Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1 Journal of the American Chemical Society 123 (2001) 8923-8938
Space group: P 1 21/a 1
Cell volume: 2951
Cell parameters: 15.406; 7.264; 26.48; 90; 95.23; 90;  

COD ID: 4115685
CIF file Formula: - C156 H188 N20 O36 Ti4 -
Comments: Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1 Journal of the American Chemical Society 123 (2001) 8923-8938
Space group: R -3 c :H
Cell volume: 46963.3
Cell parameters: 22.6143; 22.6143; 106.038; 90; 90; 120;  

COD ID: 4115686
CIF file Formula: - C203 H312 Fe4 K5 N19 O47 -
Comments: Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1 Journal of the American Chemical Society 123 (2001) 8923-8938
Space group: I -4 3 d
Cell volume: 83494
Cell parameters: 43.707; 43.707; 43.707; 90; 90; 90;  

COD ID: 4115687
CIF file Formula: - C14 H38 Cl P Si4 -
Comments: Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power Spontaneous Generation of Stable Pnictinyl Radicals from "Jack-in-the-Box" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1 Journal of the American Chemical Society 123 (2001) 9045-9053
Space group: P 1 21/n 1
Cell volume: 2355.3
Cell parameters: 9.319; 12.406; 20.453; 90; 95.08; 90;  

COD ID: 4115688
CIF file Formula: - C14 H38 As Cl Si4 -
Comments: Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power Spontaneous Generation of Stable Pnictinyl Radicals from "Jack-in-the-Box" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1 Journal of the American Chemical Society 123 (2001) 9045-9053
Space group: P 1 21/n 1
Cell volume: 2387.2
Cell parameters: 11.5626; 12.3944; 17.542; 90; 108.276; 90;  

COD ID: 4115689
CIF file Formula: - C28 H76 P2 Si8 -
Comments: Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power Spontaneous Generation of Stable Pnictinyl Radicals from "Jack-in-the-Box" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1 Journal of the American Chemical Society 123 (2001) 9045-9053
Space group: P 1 21/c 1
Cell volume: 4385
Cell parameters: 18.341; 13.424; 19.033; 90; 110.65; 90;  

COD ID: 4115690
CIF file Formula: - C28 H76 As2 Si8 -
Comments: Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power Spontaneous Generation of Stable Pnictinyl Radicals from "Jack-in-the-Box" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1 Journal of the American Chemical Society 123 (2001) 9045-9053
Space group: P -1
Cell volume: 18016
Cell parameters: 20.348; 26.342; 37.012; 102.11; 104.54; 102.35;  

COD ID: 4115691
CIF file Formula: - C20 H34 B6 Cl2 Re2 -
Comments: Sundargopal Ghosh; Alicia M. Beatty; Thomas P. Fehlner Synthesis and Characterization of Bicapped Hexagonal Bipyramidal 2,3-Cl2-1,8-{Cp*Re}2B6H4[{Cp*Re}2{μ-η6:η6-1,2-B6H4Cl2}, Cp* = η5-C5Me5]: The Missing Link Connecting (p - 2) Skeletal Electron Pair Hypoelectronic Rhenaboranes and 24-Valence Electron Triple-Decker Complexes Journal of the American Chemical Society 123 (2001) 9188-9189
Space group: P -1
Cell volume: 2526.7
Cell parameters: 10.5106; 14.3786; 16.7764; 89.965; 89.905; 85.253;  

COD ID: 4115692
CIF file Formula: - C36 H32 F P Si2 -
Comments: Akio Toshimitsu; Tomoyuki Saeki; Kohei Tamao Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium Sila-ylide but Similar to Phosphonium Ylide Journal of the American Chemical Society 123 (2001) 9210-9211
Space group: P 21 21 21
Cell volume: 3040.01
Cell parameters: 17.2502; 17.8934; 9.8489; 90; 90; 90;  

COD ID: 4115693
CIF file Formula: - C37 H27 F2 P Si -
Comments: Akio Toshimitsu; Tomoyuki Saeki; Kohei Tamao Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium Sila-ylide but Similar to Phosphonium Ylide Journal of the American Chemical Society 123 (2001) 9210-9211
Space group: P -1
Cell volume: 1486.44
Cell parameters: 12.474; 13.1328; 11.3443; 107.217; 115.824; 63.616;  

COD ID: 4115694
CIF file Formula: - C37 H29 P Si -
Comments: Akio Toshimitsu; Tomoyuki Saeki; Kohei Tamao Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium Sila-ylide but Similar to Phosphonium Ylide Journal of the American Chemical Society 123 (2001) 9210-9211
Space group: P 1 21/c 1
Cell volume: 2764.4
Cell parameters: 16.667; 9.2935; 17.903; 90; 94.538; 90;  

COD ID: 4115695
CIF file Formula: - C71.5 H107.5 Fe2 N6 -
Comments: Jeremy M. Smith; Rene J. Lachicotte; Karl A. Pittard; Thomas R. Cundari; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Patrick L. Holland Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex Journal of the American Chemical Society 123 (2001) 9222-9223
Space group: P -1
Cell volume: 3544.8
Cell parameters: 13.085; 13.9206; 22.1213; 75.075; 73.717; 68.526;  

COD ID: 4115696
CIF file Formula: - C72.5 H111.5 Fe2 K2 N6 -
Comments: Jeremy M. Smith; Rene J. Lachicotte; Karl A. Pittard; Thomas R. Cundari; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Patrick L. Holland Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex Journal of the American Chemical Society 123 (2001) 9222-9223
Space group: P -1
Cell volume: 3641.4
Cell parameters: 12.7419; 12.8655; 24.353; 89.487; 89.11; 65.817;  

COD ID: 4115697
CIF file Formula: - C72.5 H111.5 Fe2 N6 Na2 -
Comments: Jeremy M. Smith; Rene J. Lachicotte; Karl A. Pittard; Thomas R. Cundari; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Patrick L. Holland Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex Journal of the American Chemical Society 123 (2001) 9222-9223
Space group: P -1
Cell volume: 3567.6
Cell parameters: 12.7641; 12.8595; 24.2624; 88.468; 89.189; 63.659;  

COD ID: 4115698
CIF file Formula: - C20 H35 B F4 O P Rh -
Comments: Boris Rybtchinski; Stephan Oevers; Michael Montag; Arkadi Vigalok; Haim Rozenberg; Jan M. L. Martin; David Milstein Comparison of Steric and Electronic Requirements for C-C and C-H Bond Activation. Chelating vs Nonchelating Case Journal of the American Chemical Society 123 (2001) 9064-9077
Space group: P 1 21/n 1
Cell volume: 2211.84
Cell parameters: 13.628; 11.858; 15.066; 90; 114.705; 90;  

COD ID: 4115699
CIF file Formula: - C134 H128 I2 N9 O10 -
Comments: Mark J. MacLachlan; Aimee Rose; Timothy M. Swager A Rotaxane Exciplex Journal of the American Chemical Society 123 (2001) 9180-9181
Space group: P -1
Cell volume: 6188.4
Cell parameters: 12.075; 23.072; 23.819; 71.055; 86.89; 80.394;  

COD ID: 4115700
CIF file Formula: - C100 H112 Cl4 N7 O2.75 P -
Comments: Bobby Ramdhanie; Charlotte L. Stern; David P. Goldberg Synthesis of the First Corrolazine: A New Member of the Porphyrinoid Family Journal of the American Chemical Society 123 (2001) 9447-9448
Space group: P 1 21/c 1
Cell volume: 9221
Cell parameters: 15.874; 23.28; 25.807; 90; 104.793; 90;  

COD ID: 4115701
CIF file Formula: - C14 H21 N O4 S -
Comments: Ronald A. Aungst; Raymond L. Funk Synthesis of (Z)-2-Acyl-2-enals via Retrocycloadditions of 5-Acyl-4-alkyl-4H-1,3-dioxins: Application in the Total Synthesis of the Cytotoxin (±)-Euplotin A Journal of the American Chemical Society 123 (2001) 9455-9456
Space group: P -1
Cell volume: 732.5
Cell parameters: 5.6577; 9.9499; 13.5249; 89.942; 87.724; 74.343;  

COD ID: 4115702
CIF file Formula: - C44 H54 Si2 -
Comments: John E. Anthony; James S. Brooks; David L. Eaton; Sean R. Parkin Functionalized Pentacene: Improved Electronic Properties from Control of Solid-State Order Journal of the American Chemical Society 123 (2001) 9482-9483
Space group: C 1 2/c 1
Cell volume: 7756.5
Cell parameters: 28.222; 18.904; 14.555; 90; 92.713; 90;  

COD ID: 4115703
CIF file Formula: - C44 H54 Si2 -
Comments: John E. Anthony; James S. Brooks; David L. Eaton; Sean R. Parkin Functionalized Pentacene: Improved Electronic Properties from Control of Solid-State Order Journal of the American Chemical Society 123 (2001) 9482-9483
Space group: P -1
Cell volume: 960.9
Cell parameters: 7.565; 7.75; 16.835; 89.15; 78.42; 83.63;  

COD ID: 4115704
CIF file Formula: - C21 H21 I N2 O2 -
Comments: Michael J. Eichberg; Rosa L. Dorta; Douglas B. Grotjahn; Kai Lamottke; Martin Schmidt; K. Peter C. Vollhardt Approaches to the Synthesis of (±)-Strychnine via the Cobalt-Mediated [2 + 2 + 2] Cycloaddition: Rapid Assembly of a Classic Framework Journal of the American Chemical Society 123 (2001) 9324-9337
Space group: P -1
Cell volume: 913.61
Cell parameters: 8.9297; 9.9577; 11.4947; 66.744; 78.52; 79.24;  

COD ID: 4115705
CIF file Formula: - C36 H29 Au3 N8 -
Comments: Manal A. Rawashdeh-Omary; Mohammad A. Omary; John P. Fackler; Rossana Galassi; Bianca R. Pietroni; Alfredo Burini Chemistry and Optoelectronic Properties of Stacked Supramolecular Entities of Trinuclear Gold(I) Complexes Sandwiching Small Organic Acids Journal of the American Chemical Society 123 (2001) 9689-9691
Space group: P -1
Cell volume: 1663
Cell parameters: 11.581; 11.688; 13.572; 106.249; 107.005; 94.076;  

COD ID: 4115706
CIF file Formula: - C36 H36 Au3 F6 N3 O3 -
Comments: Manal A. Rawashdeh-Omary; Mohammad A. Omary; John P. Fackler; Rossana Galassi; Bianca R. Pietroni; Alfredo Burini Chemistry and Optoelectronic Properties of Stacked Supramolecular Entities of Trinuclear Gold(I) Complexes Sandwiching Small Organic Acids Journal of the American Chemical Society 123 (2001) 9689-9691
Space group: P 1 21/c 1
Cell volume: 3660.6
Cell parameters: 7.3364; 35.272; 14.356; 90; 99.804; 90;  

COD ID: 4115707
CIF file Formula: - C16 H31 Cl P2 W -
Comments: Benjamin V. Mork; T. Don Tilley High Oxidation-State (Formally d0) Tungsten Silylene Complexes via Double Si-H Bond Activation Journal of the American Chemical Society 123 (2001) 9702-9703
Space group: P 1 21/c 1
Cell volume: 1971.73
Cell parameters: 8.72; 16.612; 13.944; 90; 102.536; 90;  


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