Crystallography Open Database
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COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
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7100100 | CIF | Bi9 Cl5 H12 O37 | I 1 m 1 | 9.983; 16.774; 10.608 90; 92.85; 90 | 1774.2 | J.H. Thurston; D.C. Swenson; L. Messerle Chemical Communications, 2005 |
7100101 | CIF | C28 H78 Bi9 Cl5 O42 | P 1 21/c 1 | 13.434; 26.027; 20.985 90; 106.87; 90 | 7022 | Chemical Communications, 2005 |
7100102 | CIF | C6 H43 Cs4 Na2 O43 P Ru S3 W7 | P 1 21/n 1 | 11.8045; 14.1144; 30.313 90; 97.363; 90 | 5009 | Ulrich Kortz; Lihua Bi.; Michael H. Dickman; Ina Dix The Ru (II)-supported heptatungstates [HXW7O28RU(dmso)3]6 (X = P,As) Chemical Communications, 2005 |
7100103 | CIF | C6 H35 As Cs2 Na4 O39 Ru S3 W7 | P 1 21/c 1 | 14.8022; 23.421; 16.4215 90; 92.037; 90 | 5689.4 | Ulrich Kortz; Lihua Bi.; Michael H. Dickman; Ina Dix The Ru (II)-supported heptatungstates [HXW7O28RU(dmso)3]6 (X = P,As) Chemical Communications, 2005 |
7100104 | CIF | C108 H194 Cr9 F12 N Ni O37 | C 1 2 1 | 31.133; 17.213; 32.873 90; 112.94; 90 | 16223 | R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates Chemical Communications, 2005 |
7100105 | CIF | C104 H190 Cr8 F12 N4 Ni2 O39 | P 1 21/n 1 | 20.328; 17.41; 23.585 90; 114.734; 90 | 7581.2 | R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates Chemical Communications, 2005 |
7100106 | CIF | C97 H182 Cd Cr8 F9 N O37 | P 1 21/n 1 | 19.3987; 22.2606; 31.3094 90; 91.663; 90 | 13514.5 | R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates Chemical Communications, 2005 |
7100107 | CIF | C104 H200 Cr9 F12 N Ni O40 | P 1 21/n 1 | 19.934; 16.0192; 26.206 90; 90.054; 90 | 8368.3 | R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates Chemical Communications, 2005 |
7100108 | CIF | C91 H167 Cr8 F11 N4 Ni O37 | P -3 c 1 | 36.0766; 36.0766; 19.0238 90; 90; 120 | 21442.7 | R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates Chemical Communications, 2005 |
7100109 | CIF | C104 H186.5 Cr8 F12 N4 Ni2 O36.75 | P 1 21/n 1 | 12.5916; 21.808; 27.727 90; 93.89; 90 | 7596.2 | R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates Chemical Communications, 2005 |
7100110 | CIF | C116 H214 Cr8 F12 N2 Ni2 O36 | I 1 2/a 1 | 26.003; 19.882; 31.266 90; 102.99; 90 | 15751 | R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates Chemical Communications, 2005 |
7100111 | CIF | C107 H198 Cr9 F10 N Ni O40 | C m c a | 32.686; 20.8976; 22.154 90; 90; 90 | 15132 | R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates Chemical Communications, 2005 |
7100112 | CIF | C89 H159 Cr6 F8 N4 Ni2 O32 | P 1 21/c 1 | 24.9758; 16.6444; 31.0706 90; 111.149; 90 | 12046.3 | R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates Chemical Communications, 2005 |
7100113 | CIF | C9.17 H18.26 N2.08 O4 | P 65 | 18.1402; 18.1402; 6.1582 90; 90; 120 | 1754.96 | C. Gorbitz; M. Nilsen; K. Szeto; L.W. Tangen Chemical Communications, 2005 |
7100114 | CIF | C9 H18 N2 O4 | P 65 | 18.1253; 18.1253; 6.1497 90; 90; 120 | 1749.66 | C. Gorbitz; M. Nilsen; K. Szeto; L.W. Tangen Chemical Communications, 2005 |
7100115 | CIF | C9 H18 I0.07 N2 O4 | P 65 | 18.147; 18.147; 6.1536 90; 90; 120 | 1754.97 | C. Gorbitz; M. Nilsen; K. Szeto; L.W. Tangen Chemical Communications, 2005 |
7100116 | CIF | C87 H143 N O41 | P 21 21 21 | 10.8191; 29.4126; 31.945 90; 90; 90 | 10165.6 | Arnaud Grandeury; Samuel Petit; Servane Coste; Gerard Coquerel; Cecile Perrio; Geraldine Gouhier New synthesis of (Z,E)-2,7-bis(4-cyanobenzylidene)cycloheptan-1-one under stereospecific constraints induced by host-guest interactions Chemical Communications, 2005 |
7100117 | CIF | C37 H50 Cl4 I N3 Ni | P 1 21/c 1 | 12.78; 17.04; 19.13 90; 104.82; 90 | 4028 | David Vicic; Thomas J. Anderson; Gavin D. Jones; Chris McFarland Analysis of Key Steps in the Catalytic Cross-Coupling of Alkyl Electrophiles Under Negishi-like Conditions Chemical Communications, 2005 |
7100118 | CIF | C28 H38 N3 Ni | P 1 21/c 1 | 11.89; 10.947; 20.178 90; 105.977; 90 | 2525 | David Vicic; Thomas J. Anderson; Gavin D. Jones; Chris McFarland Analysis of Key Steps in the Catalytic Cross-Coupling of Alkyl Electrophiles Under Negishi-like Conditions Chemical Communications, 2005 |
7100119 | CIF | C25 H15 Br D6 N5 O6 Re S | P -1 | 8.6135; 10.6869; 15.705 73.925; 75.037; 83.696 | 1340.9 | Reger, Daniel L.; Elgin, J. Derek; Semeniuc, Radu F.; Pellechia, Perry J.; Smith, Mark D. Directional Control of pi Stacked Building Blocks for Crystal Engineering: the 1,8-Naphthalimide Synthon Chemical Communications, 2005 |
7100120 | CIF | C30 H29 Br N5 O6 Re | P -1 | 8.8427; 13.4707; 13.9727 67.162; 89.579; 82.302 | 1518.27 | Reger, Daniel L.; Elgin, J. Derek; Semeniuc, Radu F.; Pellechia, Perry J.; Smith, Mark D. Directional Control of pi Stacked Building Blocks for Crystal Engineering: the 1,8-Naphthalimide Synthon Chemical Communications, 2005 |
7100121 | CIF | C48 H57 Cl6 Ir3 N6 | R 3 m :H | 24.096; 24.096; 7.479 90; 90; 120 | 3761 | Guo-Xin Jin; Chun-Xia Ren; Jianqiang Wang Route to Multicluster Containing Ancillary ortho-Carborane-1,2-Dithiolato Ligands Chemical Communications, 2005 |
7100122 | CIF | C54 H87 B30 Ir3 N6 S6 | P 42/n c m :2 | 35.258; 35.258; 16.15 90; 90; 90 | 20076 | Guo-Xin Jin; Chun-Xia Ren; Jianqiang Wang Route to Multicluster Containing Ancillary ortho-Carborane-1,2-Dithiolato Ligands Chemical Communications, 2005 |
7100123 | CIF | C36 H62 B20 Cl4 Ir2 N2 S4 | P -1 | 10.223; 11.336; 13.688 101.052; 109.107; 94.826 | 1452.6 | Guo-Xin Jin; Chun-Xia Ren; Jianqiang Wang Route to Multicluster Containing Ancillary ortho-Carborane-1,2-Dithiolato Ligands Chemical Communications, 2005 |
7100124 | CIF | C45 H41 Cl Mn2 N6 O8 | C 1 2 1 | 15.226; 12.924; 10.944 90; 90.157; 90 | 2153.6 | Chemical Communications, 2005 |
7100125 | CIF | C2 H5 Li S | P 1 21/c 1 | 8.32854; 5.03756; 9.82453 90; 100.375; 90 | 405.454 | Matthias Wagner; Edith Alig; Robert E. Dinnebier; Hans-Wolfram Lerner; Kai Ruth; Ingebororg Sanger; S. Tonnes Solvent-Free Methylthiomethyllithium [LiCH2SMe] : Solid State Structure and Thermal Decomposition. Chemical Communications, 2005 |
7100126 | CIF | C19 H44 Si8 | P 1 21/n 1 | 9.9526; 16.4089; 18.5655 90; 92.026; 90 | 3030.1 | Mitsuo Kira; Natsuki Hamada; Chizuko Kabuto; Wataru Setaka Intramolecular Charge-Transfer Fluorescence of 1-Phenylbicyclo[2.2.2]octasilane Chemical Communications, 2005 |
7100127 | CIF | C14 H16 N2 O4 S | P 21 21 21 | 7.7121; 10.729; 17.409 90; 90; 90 | 1440.5 | Mitsuo Kira; Natsuki Hamada; Chizuko Kabuto; Wataru Setaka Intramolecular Charge-Transfer Fluorescence of 1-Phenylbicyclo[2.2.2]octasilane Chemical Communications, 2005 |
7100128 | CIF | N Na Sn | P 63 m c | 3.3306; 3.3306; 10.8919 90; 90; 120 | 104.636 | Simon Clarke; Oltan Gal; Nicholas Watney; D. Webster; Simon J. Clarke The first ternary tin (II) nitride: NaSnN Chemical Communications, 2005 |
7100129 | CIF | C108 H163 N8 O25.5 | P -1 | 18.8106; 23.1537; 28.968 98.409; 104.443; 102.706 | 11645.5 | Volker Bohmer; Michael Bolte; Yudong Cao.; Myroslav O. Vysotsky; Le-Yong Wang. Synthesis of Huge Macrocycles Using Twice a Calix[4]arene as Template Chemical Communications, 2005 |
7100130 | CIF | C21 H19 N O3 S | P 1 21/n 1 | 12.6115; 5.9741; 24.2313 90; 101.681; 90 | 1787.83 | Villar, Amparo; Hovelmann, Claas H.; Nieger, Martin; Muniz, Kilian First Direct Osmium-Catalysed Ketamination of Alkenes Chemical Communications, 2005 |
7100131 | CIF | C44 H26 Cu2 N6 O10 | P -1 | 7.198; 12.339; 12.865 89.136; 84.562; 82.987 | 1129 | George Newkome; Charles N. Moorefield; Matthew Panzer; Pingshan Wang. Terpyridine copperII-polycarboxylic acid architectures: formation of dimeric, helical, and cyclic nanostructures and their included-water molecule motifs Chemical Communications, 2005 |
7100132 | CIF | C44 H28 Cu2 N8 O8 | F d d d :2 | 8.728; 18.451; 49.722 90; 90; 90 | 8007 | George Newkome; Charles N. Moorefield; Matthew Panzer; Pingshan Wang. Terpyridine copperII-polycarboxylic acid architectures: formation of dimeric, helical, and cyclic nanostructures and their included-water molecule motifs Chemical Communications, 2005 |
7100133 | CIF | C44 H28 Cu2 N8 O14 | P -1 | 9.263; 10.844; 12.754 113.383; 93.11; 111.129 | 1067.3 | George Newkome; Charles N. Moorefield; Matthew Panzer; Pingshan Wang. Terpyridine copperII-polycarboxylic acid architectures: formation of dimeric, helical, and cyclic nanostructures and their included-water molecule motifs Chemical Communications, 2005 |
7100134 | CIF | C139.19 H128.81 N12.09 Zn2 | P -1 | 15.1012; 17.6792; 22.9949 80.408; 83.655; 77.243 | 5886.5 | Atsuhiro Osuka; Yasuhide Inokuma; Deok Yun Kim; Dongho Kim; Soo Bum Noh; Noboru Ono; Hidemitsu Uno Enlarged pai-electronic network of a meso-meso beta-beta, beta-beta triply linked dibenzoporphyrin dimer that exhibits a large two-photon cross section Chemical Communications, 2005 |
7100135 | CIF | C18 H21 N O4 S | P 1 21/c 1 | 5.9474; 19.586; 14.4749 90; 97.26; 90 | 1672.6 | P.A.Evans; J.Sawyer; K.W.Lai; J.C.Huffman Intermolecular rhodium-catalyzed [2+2+2] carbocyclization reactions of 1,6-enynes with symmetrical and unsymmetrical alkynes Chemical Communications, 2005 |
7100136 | CIF | C56 H76 Cl2 Hg N2 O12 S2 | P c c n | 21.794; 45.754; 12.395 90; 90; 90 | 12359.8 | de Namor,Angela F. Danil; Eduardo E. Castellano; Samir Chahine; H. Donald Brooke Jenkins; Oscar E. Piro A Preliminary Observation of Additive Thermodynamic Contribution of Pendant Arms to the Complexation of Calixarene Derivatives with Mercury (II) Chemical Communications, 2005 |
7100137 | CIF | C29 H29 Mn2 N3 O8.5 P | P 1 21/c 1 | 12.1027; 20.563; 13.6644 90; 111.888; 90 | 3155.5 | A. Carty; Todd Graham; Konstantin A. Udachin Reactivity of Electrophilic m2-Phosphinidene Complexes with Heterocumulenes: Formation of the First s-p-Aminophosphaimine Complexes [Mn2(CO)8{m-h1,h2-P(NiPr2)=NR}] and Diazoalkane Insertions into Metal-Phosphorus Bonds. Chemical Communications, 2005 |
7100138 | CIF | C39 H42 Co2 N O4 P3 | C 1 2/c 1 | 30.17; 10.6655; 23.493 90; 102.347; 90 | 7385 | A. Carty; Todd Graham; Konstantin A. Udachin Reactivity of Electrophilic m2-Phosphinidene Complexes with Heterocumulenes: Formation of the First s-p-Aminophosphaimine Complexes [Mn2(CO)8{m-h1,h2-P(NiPr2)=NR}] and Diazoalkane Insertions into Metal-Phosphorus Bonds. Chemical Communications, 2005 |
7100139 | CIF | C40 H38 Mn4 N4 O16 P2 | P 1 21/c 1 | 8.8228; 9.7766; 28.072 90; 97.045; 90 | 2403.1 | A. Carty; Todd Graham; Konstantin A. Udachin Reactivity of Electrophilic m2-Phosphinidene Complexes with Heterocumulenes: Formation of the First s-p-Aminophosphaimine Complexes [Mn2(CO)8{m-h1,h2-P(NiPr2)=NR}] and Diazoalkane Insertions into Metal-Phosphorus Bonds. Chemical Communications, 2005 |
7100140 | CIF | C17 H23 Mn2 N2 O8 P Si | P 1 21/c 1 | 15.7307; 10.5029; 15.5917 90; 113.01; 90 | 2371.1 | A. Carty; Todd Graham; Konstantin A. Udachin Reactivity of Electrophilic m2-Phosphinidene Complexes with Heterocumulenes: Formation of the First s-p-Aminophosphaimine Complexes [Mn2(CO)8{m-h1,h2-P(NiPr2)=NR}] and Diazoalkane Insertions into Metal-Phosphorus Bonds. Chemical Communications, 2005 |
7100141 | CIF | C14 H14 Mn2 N O8 P | P -1 | 6.6736; 9.5035; 15.4285 104.344; 96.656; 97.44 | 928.81 | A. Carty; Todd Graham; Konstantin A. Udachin Reactivity of Electrophilic m2-Phosphinidene Complexes with Heterocumulenes: Formation of the First s-p-Aminophosphaimine Complexes [Mn2(CO)8{m-h1,h2-P(NiPr2)=NR}] and Diazoalkane Insertions into Metal-Phosphorus Bonds. Chemical Communications, 2005 |
7100142 | CIF | C64 H72 Cu4 F4 N12 O12 S12 | P -1 | 14.22; 16.12; 18.39 73.37; 89.56; 84.76 | 4021.5 | Isamu Kinoshita; Rika Tanaka Hamazawa; Masakazu Hirotsu; Riichi Miyamoto; Takanori Nishioka; L.J. Wright A Two-Dimensional Clathrate Hydrate Sandwiched by Planar Arrays of a Copper Complex Chemical Communications, 2005 |
7100143 | CIF | C99.5 H105 Cu6 F6 N18 O14.5 S18 | P -1 | 16.65; 16.85; 23.68 78.23; 67.42; 84.61 | 6004.4 | Chemical Communications, 2005 |
7100144 | CIF | C53 H39 N Si | C 1 c 1 | 14.3168; 14.7242; 18.7652 90; 102.536; 90 | 3861.5 | Mi, Baoxiu; Dong, Yongqiang; Li, Zhen; Lam, Jacky W. Y.; Häußler, Matthias; Sung, Herman H. Y.; Kwok, Hoi-Sing; Dong, Yuping; Williams, Ian D.; Liu, Yunqi; Luo, Yi; Shuai, Zhigang; Zhu, Daoben; Tang, Ben Zhong Making silole photovoltaically active by attaching carbazolyl donor groups to the silolyl acceptor core Chemical Communications, 2005, 3583-3585 |
7100145 | CIF | C24 H27 Ag B3 F6 N6 | P -3 | 13.9626; 13.9626; 7.4577 90; 90; 120 | 1259.12 | L. Barbour; Liliana Dobrzanska; Helgard G. Raubenheimer Borromean sheets assembled by self-supporting argentophilic interactions Chemical Communications, 2005 |
7100146 | CIF | C183 H127 Cl48 Co6 N17 O35 | P -1 | 9.0119; 34.547; 46.453 89.623; 85.25; 89.862 | 14412 | J. Veciana; Neus Domingo; Joan-Manuel Hernandez; F. Lloret; Daniel Maspoch; C. Rovira; Daniel Ruiz-Molina; Javier Tejada; Gavin Vaughan; Klaus Wurst Ferromagnetic interactions in a metal-organic radical-based (6,3)-helical network with large channels Chemical Communications, 2005 |
7100147 | CIF | C37 H74 B9 Mo2 N3 O6 | P c a 21 | 26.518; 17.1036; 20.3798 90; 90; 90 | 9243.4 | P. Lei; T.D. McGrath; F.G.A. Stone The bis-molybdenum(0) trianion [1,3,6-{Mo(CO)~3~}-3,6-(μ-H)~2~-1,1,1- (CO)~3~-2-Ph-closo-1,2-MoCB~9~H~7~]^3-^ and its use as a scaffold in the assembly of heteropolymetallic complexes Chemical Communications, 2005 |
7100148 | CIF | C44.5 H59 B9 Cl Mo N O3 P2 Pt | P 1 21/n 1 | 14.4426; 22.8219; 15.1963 90; 101.002; 90 | 4916.8 | P. Lei; T.D. McGrath; F.G.A. Stone The bis-molybdenum(0) trianion [1,3,6-{Mo(CO)~3~}-3,6-(μ-H)~2~-1,1,1- (CO)~3~-2-Ph-closo-1,2-MoCB~9~H~7~]^3-^ and its use as a scaffold in the assembly of heteropolymetallic complexes Chemical Communications, 2005 |
7100149 | CIF | C40.125 H40.25 B9 Cl2.25 Mn Mo O6 P2 Pt | C 1 2/c 1 | 56.424; 11.4786; 38.7221 90; 129.652; 90 | 19309.1 | P. Lei; T.D. McGrath; F.G.A. Stone The bis-molybdenum(0) trianion [1,3,6-{Mo(CO)~3~}-3,6-(μ-H)~2~-1,1,1- (CO)~3~-2-Ph-closo-1,2-MoCB~9~H~7~]^3-^ and its use as a scaffold in the assembly of heteropolymetallic complexes Chemical Communications, 2005 |
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