Crystallography Open Database
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Searching volume of publication is 122
| COD ID: 1000480 | |
| CIF file | Formula: - H8 N2 O8 P0.96 V2.04 - Comments: Ninclaus, C; Retoux, R; Riou, D; Ferey, G Synthesis and structure determination of the disordered V(V)-P compound (N H4)2 V(IV) O (V(V)2-x Px O7) Journal of Solid State Chemistry 122 (1996) 139-142 Space group: P 4 Cell volume: 420.5 Cell parameters: 8.629; 8.629; 5.648; 90; 90; 90; |
| COD ID: 1004118 | |
| CIF file | Formula: - Bi26 Mo6.14 O68 V3.86 - Comments: Vannier, R N; Mairesse, G; Abraham, F; Nowogorocki, G Bi26 Mo10 Od solid solution type in the Bi2 O3 - Mo O3 - V2 O5 ternary diagram Journal of Solid State Chemistry 122 (1996) 394-406 Space group: P 1 2/c 1 Cell volume: 1612.1 Cell parameters: 11.633; 5.795; 24.39; 90; 101.35; 90; |
| COD ID: 1004131 | |
| CIF file | Formula: - Bi26 Mo10 O69 - Comments: Vannier, R N; Mairesse, G; Abraham, F; Nowogorocki, G Bi26 Mo10 Od solid solution type in the Bi2 O3 - Mo O3 - V2 O5 ternary diagram Journal of Solid State Chemistry 122 (1996) 394-406 Space group: P 1 2/c 1 Cell volume: 1644.1 Cell parameters: 11.742; 5.8; 24.76999; 90; 102.94; 90; |
| COD ID: 1100178 | |
| CIF file | Formula: - C25 H24 N2 O6 - Comments: Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules Journal of the American Chemical Society 122(41) (2000) 10218-10219 Space group: P -1 Cell volume: 1112.04 Cell parameters: 7.842; 12.127; 12.973; 65.76; 86.43; 81.31; |
| COD ID: 1100179 | |
| CIF file | Formula: - C18 H22 O - Comments: Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules Journal of the American Chemical Society 122(41) (2000) 10218-10219 Space group: R 3 :H Cell volume: 3372.15 Cell parameters: 23.056; 23.056; 7.325; 90; 90; 120; |
| COD ID: 1100180 | |
| CIF file | Formula: - C17 H20 O - Comments: Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules Journal of the American Chemical Society 122(41) (2000) 10218-10219 Space group: R 3 :H Cell volume: 3272.75 Cell parameters: 22.864; 22.864; 7.229; 90; 90; 120; |
| COD ID: 1100305 | |
| CIF file | Formula: - C90 H182 Li24 N12 O6 Si12 - Comments: Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot [{Li~2~(Me~3~SiCCN)}~12~(Et~2~O)~6~(C~6~H~14~)], Kristallstruktur mit dem Trimethylsilylacetonitril-Dianion Chemische Berichte 122(7) (1989) 1307-1311 Space group: P -1 Cell volume: 3344.96 Cell parameters: 15.574; 15.678; 16.257; 74.01; 84.38; 61.32; |
| COD ID: 1100323 | |
| CIF file | Formula: - C15 H12 O4 S W - Comments: Kneuper, Heinz-Josef; Zimmermann, Christoph; Harms, Klaus; Boche, Gernot Funktionalisierte Übergangsmetallalkyle, II. Synthese, Kristallstruktur und Reaktivität von (η~5~-C~5~H~5~)W(CO)~3~‒CH~2~‒S(O)‒C~6~H~5~, einem α-metallierten Sulfoxid Chemische Berichte 122(6) (1989) 1043-1047 Space group: P 1 21/c 1 Cell volume: 1505.3 Cell parameters: 10.093; 11.836; 13.157; 90; 106.72; 90; |
| COD ID: 1100326 | |
| CIF file | Formula: - C17 H31 Li N2 O - Comments: Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot η^1^-C~6~H~5~CH~2~Li·THF·TMEDA, Kristallstruktur eines Benzyllithium·THF·TMEDA-Komplexes mit einem pyramidalen Benzyl-C-Atom Chemische Berichte 122(12) (1989) 2303-2309 Space group: P 1 21/n 1 Cell volume: 1811.52 Cell parameters: 8.682; 15.387; 13.934; 90; 103.3; 90; |
| COD ID: 1509497 | |
| CIF file | Formula: - Ag O3 V - Comments: Savariault, J.M.; Rozier, P.; Galy, J. beta Ag V O3 crystal structure and relationships with Ag2 V4 O11 and delta Agx V2 O5 Journal of Solid State Chemistry 122 (1996) 303-308 Space group: C 1 2/m 1 Cell volume: 504.69 Cell parameters: 18.106; 3.5787; 8.043; 90; 104.44; 90; |
| COD ID: 1510366 | |
| CIF file | Formula: - Au2 Bi4 O9 - Comments: Geb, J.; Jansen, M. Bi2 Au O5 and Bi4 Au2 O9, two novel ternary oxoaurates Journal of Solid State Chemistry 122 (1996) 364-370 Space group: P c a b Cell volume: 1806.52 Cell parameters: 5.889; 8.847; 34.674; 90; 90; 90; |
| COD ID: 1510605 | |
| CIF file | Formula: - Au Bi2 O5 - Comments: Jansen, M.; Geb, J. Bi2 Au O5 and Bi4 Au2 O9, two novel ternary oxoaurates Journal of Solid State Chemistry 122 (1996) 364-370 Space group: P 4/n c c :2 Cell volume: 453.307 Cell parameters: 8.6703; 8.6703; 6.0301; 90; 90; 90; |
| COD ID: 1511976 | |
| CIF file | Formula: - Bi2 Se0.6 Te2.4 - Comments: Dumas, J.F.; Brun, G.; Liautard, B.; Tedenac, J.C.; Maurin, M. New contribution in the study of the Bi2 Te3 - Bi2 Se3 system Thermochimica Acta 122 (1987) 135-141 Space group: R -3 m :H Cell volume: 489.709 Cell parameters: 4.33; 4.33; 30.16; 90; 90; 120; |
| COD ID: 1516479 | |
| CIF file | Formula: - C9 H8 O4 - Comments: Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions 122 (2003) 363-379 Space group: P 1 21/c 1 Cell volume: 821.2 Cell parameters: 11.233; 6.544; 11.231; 90; 95.89; 90; |
| COD ID: 1516480 | |
| CIF file | Formula: - C9 H8 O4 - Comments: Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions 122 (2003) 363-379 Space group: P 1 21/c 1 Cell volume: 821.2 Cell parameters: 11.233; 6.544; 11.231; 90; 95.89; 90; |
| COD ID: 1516481 | |
| CIF file | Formula: - C9 H8 O4 - Comments: Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions 122 (2003) 363-379 Space group: P 1 21/c 1 Cell volume: 821.2 Cell parameters: 11.233; 6.544; 11.231; 90; 95.89; 90; |
| COD ID: 1516482 | |
| CIF file | Formula: - C9 H8 O4 - Comments: Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions 122 (2003) 363-379 Space group: P 1 21/c 1 Cell volume: 821.2 Cell parameters: 11.233; 6.544; 11.231; 90; 95.89; 90; |
| COD ID: 1520923 | |
| CIF file | Formula: - Co H0.79 K0.25 Na0.06 O2.3 - Comments: Butel, M.; Gautier, L.; Delmas, C. Cobalt oxyhydroxides obtained by 'chimie douce' reactions: structure and electronic conductivity properties Solid State Ionics 122 (1999) 271-284 Space group: R 3 m :H Cell volume: 141.303 Cell parameters: 2.83; 2.83; 20.3727; 90; 90; 120; |
| COD ID: 1531678 | |
| CIF file | Formula: - Ba1.7 Cu3 Nd1.3 O6.8 - Comments: Kini, N.S.; Shivashankar, S.A.; Umarji, A.M.; Yelon, W.B.; Malik, S.K. Effect of synthesis route on the structure of Nd3-x Ba3+x Cu6 O14-2d (x=0, 1) system: a neutron diffraction study Solid State Communications 122 (2002) 99-104 Space group: P m m m Cell volume: 178.169 Cell parameters: 3.8757; 3.9139; 11.7455; 90; 90; 90; |
| COD ID: 1531681 | |
| CIF file | Formula: - Ba1.73 Cu3 Nd1.27 O6.86 - Comments: Kini, N.S.; Shivashankar, S.A.; Yelon, W.B.; Umarji, A.M.; Malik, S.K. Effect of synthesis route on the structure of Nd3-x Ba3+x Cu6 O14-2d (x=0, 1) system: a neutron diffraction study Solid State Communications 122 (2002) 99-104 Space group: P 4/m m m Cell volume: 178.202 Cell parameters: 3.8989; 3.8989; 11.7227; 90; 90; 90; |
| COD ID: 1531684 | |
| CIF file | Formula: - Ba1.5 Cu3 Nd1.5 O6.96 - Comments: Kini, N.S.; Shivashankar, S.A.; Umarji, A.M.; Yelon, W.B.; Malik, S.K. Effect of synthesis route on the structure of Nd3-x Ba3+x Cu6 O14-2d (x=0, 1) system: a neutron diffraction study Solid State Communications 122 (2002) 99-104 Space group: P 4/m m m Cell volume: 174.86 Cell parameters: 3.8813; 3.8813; 11.6074; 90; 90; 90; |
| COD ID: 1540850 | |
| CIF file | Formula: - Co3 H2 O10 Se3 - Comments: Wildner, M. Crystal structures of Co3 (Se O3)3 * (H2 O) and Ni3 (Se O3)3 * (H2 O), two new isotypic compounds Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 122 (1991) 585-594 Space group: P -1 Cell volume: 457.118 Cell parameters: 8.102; 8.219; 8.572; 69.15; 62.88; 67.23; |
| COD ID: 1540851 | |
| CIF file | Formula: - H2 Ni3 O10 Se3 - Comments: Wildner, M. Crystal structures of Co3(SeO3)3.H2O and Ni3(SeO3)3.H2O, two new isotypic compounds Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 122 (1991) 585-594 Space group: P -1 Cell volume: 438.447 Cell parameters: 7.986; 8.133; 8.422; 69.5; 62.5; 67.64; |
| COD ID: 1544466 | |
| CIF file | Formula: - Al7.9 N8.1 O1.9 Si1.1 - Comments: Banno, H.; Asaka, T.; Fukuda, K. Electron density distribution and crystal structure of 27R-SiAlON, Si3-xAl6+xOxN10-x (x~1.9) Journal of the Ceramic Society of Japan 122 (2014) 281-287 Space group: R -3 m Cell volume: 579.395 Cell parameters: 3.05991; 3.05991; 71.454; 90; 90; 120; |
| COD ID: 1546105 | |
| CIF file | Formula: - Cu3 H4 O8 Se - Comments: Gerald Giester Crystal structure of synthetic Cu3SeO4(OH)4 Monatshefte fur Chemie 122 (1991) 229-234 Space group: P n m a Cell volume: 626.8 Cell parameters: 8.382; 6.087; 12.285; 90; 90; 90; |
| COD ID: 1549031 | |
| CIF file | Formula: - C16 H16 N4 O - Comments: Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei Fluorescence of Hydroxyphenyl-Substituted "Click" Triazoles. The journal of physical chemistry. A 122(11) (2018) 2956-2973 Space group: P 1 21/n 1 Cell volume: 1423.8 Cell parameters: 6.812; 22.167; 9.4317; 90; 91.2974; 90; |
| COD ID: 1549032 | |
| CIF file | Formula: - C16 H16 N4 O - Comments: Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei Fluorescence of Hydroxyphenyl-Substituted "Click" Triazoles. The journal of physical chemistry. A 122(11) (2018) 2956-2973 Space group: P b c a Cell volume: 2929.01 Cell parameters: 7.6447; 13.1287; 29.1836; 90; 90; 90; |
| COD ID: 1552781 | |
| CIF file | Formula: - C40 H20 Co6 O16 P2 - Comments: Racioppi, S.; Della Pergola, R.; Colombo, V.; Sironi, A.; Macchi, P. Electron Density Analysis of Metal Clusters with Semi-Interstitial Main Group Atoms. Chemical Bonding in [Co<sub>6</sub>X(CO)<sub>16</sub>]<sup>-</sup> Species. The journal of physical chemistry. A 122(22) (2018) 5004-5015 Space group: P 1 21/c 1 Cell volume: 4262.5 Cell parameters: 10.0109; 20.861; 20.4255; 90; 92.176; 90; |
| COD ID: 1552782 | |
| CIF file | Formula: - C40 H20 Co6 O16 P2 - Comments: Racioppi, S.; Della Pergola, R.; Colombo, V.; Sironi, A.; Macchi, P. Electron Density Analysis of Metal Clusters with Semi-Interstitial Main Group Atoms. Chemical Bonding in [Co<sub>6</sub>X(CO)<sub>16</sub>]<sup>-</sup> Species. The journal of physical chemistry. A 122(22) (2018) 5004-5015 Space group: P 1 21/c 1 Cell volume: 4270.86 Cell parameters: 10.01803; 20.87369; 20.43821; 90; 92.1609; 90; |
| COD ID: 1552783 | |
| CIF file | Formula: - C54 H54 O6 - Comments: Kosaka, Tomoyo; Iwai, Satono; Inoue, Yoshihisa; Moriuchi, Toshiyuki; Mori, Tadashi Solvent and Temperature Effects on Dynamics and Chiroptical Properties of Propeller Chirality and Toroidal Interaction of Hexaarylbenzenes. The journal of physical chemistry. A 122(37) (2018) 7455-7463 Space group: P 1 21 1 Cell volume: 4389.44 Cell parameters: 11.5859; 20.1144; 18.9328; 90; 95.818; 90; |
| COD ID: 1552784 | |
| CIF file | Formula: - C18 H50 Cl12 Cu6 N6 O - Comments: Latouche, Camille; Gautier, Romain; Génois, Romain; Massuyeau, Florian Structural and Spectroscopic Investigations of Two [Cu<sub>4</sub>X<sub>6</sub>]<sup>2-</sup> (X = Cl<sup>-</sup>, Br<sup>-</sup>) Clusters: A Joint Theoretical and Experimental Work. The journal of physical chemistry. A 122(19) (2018) 4628-4634 Space group: P 21 21 21 Cell volume: 3926.8 Cell parameters: 13.3441; 14.6101; 20.1415; 90; 90; 90; |
| COD ID: 1552785 | |
| CIF file | Formula: - C4 H12 N10 O8 - Comments: Tidey, Jeremiah P.; Zhurov, Vladimir V.; Gianopoulos, Christopher G.; Hermann, Tobias S.; Pinkerton, A. Alan QTAIM Assessment of the Intra- and Intermolecular Bonding in a Bis(nitramido-oxadiazolate) Energetic Ionic Salt at 20 K. The journal of physical chemistry. A 122(50) (2018) 9676-9687 Space group: P 1 21/n 1 Cell volume: 621.99 Cell parameters: 6.7338; 6.9787; 13.2786; 90; 94.6091; 90; |
| COD ID: 1552786 | |
| CIF file | Formula: - C68 Cl16 - Comments: Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A 122(50) (2018) 9626-9636 Space group: P -1 Cell volume: 1208.6 Cell parameters: 10.0815; 10.1807; 13.4349; 70.5601; 68.6395; 79.8573; |
| COD ID: 1552787 | |
| CIF file | Formula: - C68 Cl16 - Comments: Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A 122(50) (2018) 9626-9636 Space group: P -1 Cell volume: 1187.9 Cell parameters: 10.093; 10.189; 13.214; 102.27; 111.08; 100.52; |
| COD ID: 1552788 | |
| CIF file | Formula: - C66 H5 Cl - Comments: Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A 122(50) (2018) 9626-9636 Space group: P -1 Cell volume: 3226.1 Cell parameters: 10.1582; 19.167; 19.192; 110.978; 102.503; 102.42; |
| COD ID: 1552789 | |
| CIF file | Formula: - C65 H12 - Comments: Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A 122(50) (2018) 9626-9636 Space group: C 1 c 1 Cell volume: 3159.1 Cell parameters: 9.974; 31.629; 10.014; 90; 90.149; 90; |
| COD ID: 1552790 | |
| CIF file | Formula: - C78 H18 - Comments: Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A 122(50) (2018) 9626-9636 Space group: P 1 21/n 1 Cell volume: 2043.9 Cell parameters: 13.5271; 9.9838; 16.017; 90; 109.108; 90; |
| COD ID: 1552791 | |
| CIF file | Formula: - C64 H10 O - Comments: Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A 122(50) (2018) 9626-9636 Space group: C 1 c 1 Cell volume: 3133.4 Cell parameters: 9.948; 31.536; 9.988; 90; 90.035; 90; |
| COD ID: 1552792 | |
| CIF file | Formula: - C64 Cl8 - Comments: Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A 122(50) (2018) 9626-9636 Space group: C 1 2/m 1 Cell volume: 1845.9 Cell parameters: 16.0981; 11.4891; 10.2043; 90; 102.026; 90; |
| COD ID: 1552793 | |
| CIF file | Formula: - C67 H8 Cl2 - Comments: Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M. Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules. The journal of physical chemistry. A 122(50) (2018) 9626-9636 Space group: C 1 2/c 1 Cell volume: 3402.1 Cell parameters: 20.8431; 17.181; 9.9614; 90; 107.503; 90; |
| COD ID: 1552794 | |
| CIF file | Formula: - C17 H32 N2 O5 - Comments: Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N. Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis. The journal of physical chemistry. A 122(14) (2018) 3665-3679 Space group: P 1 21 1 Cell volume: 2070.8 Cell parameters: 9.8681; 17.5; 12.2922; 90; 102.706; 90; |
| COD ID: 1552795 | |
| CIF file | Formula: - C32 H62 N4 O8 - Comments: Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N. Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis. The journal of physical chemistry. A 122(14) (2018) 3665-3679 Space group: P 1 21 1 Cell volume: 1824.1 Cell parameters: 10.3122; 10.9803; 16.8121; 90; 106.622; 90; |
| COD ID: 1552796 | |
| CIF file | Formula: - C19 H36 N2 O5 - Comments: Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N. Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis. The journal of physical chemistry. A 122(14) (2018) 3665-3679 Space group: P 21 21 21 Cell volume: 2126.8 Cell parameters: 5.2149; 15.0953; 27.017; 90; 90; 90; |
| COD ID: 1552797 | |
| CIF file | Formula: - C25 H47 N3 O6 - Comments: Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N. Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis. The journal of physical chemistry. A 122(14) (2018) 3665-3679 Space group: P 1 21 1 Cell volume: 1466.7 Cell parameters: 10.2236; 12.3246; 12.3403; 90; 109.388; 90; |
| COD ID: 1552798 | |
| CIF file | Formula: - C23 H43 N3 O6 - Comments: Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N. Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis. The journal of physical chemistry. A 122(14) (2018) 3665-3679 Space group: P 21 21 21 Cell volume: 2619.56 Cell parameters: 9.4237; 15.9868; 17.3878; 90; 90; 90; |
| COD ID: 1552799 | |
| CIF file | Formula: - C8 H5 N3 - Comments: Tu, Ting-Husn; Chen, Yi-Ting; Shen, Jiun-Yi; Lin, Ta-Chun; Chou, Pi-Tai Excited-State Proton Transfer in 3-Cyano-7-azaindole: From Aqueous Solution to Ice. The journal of physical chemistry. A 122(9) (2018) 2479-2484 Space group: P -1 Cell volume: 332.14 Cell parameters: 3.8354; 9.2168; 9.8872; 104.868; 96.052; 96.718; |
| COD ID: 1552800 | |
| CIF file | Formula: - C17 H15 B2 N O4 - Comments: Jarzembska, Katarzyna N.; Kamiński, Radosław; Durka, Krzysztof; Woźniak, Krzysztof Ground-State Charge-Density Distribution in a Crystal of the Luminescent ortho-Phenylenediboronic Acid Complex with 8-Hydroxyquinoline. The journal of physical chemistry. A 122(18) (2018) 4508-4520 Space group: P 1 21/c 1 Cell volume: 1584.63 Cell parameters: 12.6209; 10.7943; 12.6367; 90; 113.005; 90; |
| COD ID: 1552801 | |
| CIF file | Formula: - C16 H16 N4 O - Comments: Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei Fluorescence of Hydroxyphenyl-Substituted "Click" Triazoles. The journal of physical chemistry. A 122(11) (2018) 2956-2973 Space group: P 1 21/c 1 Cell volume: 1363.16 Cell parameters: 12.8697; 9.3437; 12.2616; 90; 112.405; 90; |
| COD ID: 1552802 | |
| CIF file | Formula: - C14 H11 N3 O2 - Comments: Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei Fluorescence of Hydroxyphenyl-Substituted "Click" Triazoles. The journal of physical chemistry. A 122(11) (2018) 2956-2973 Space group: P 1 21/c 1 Cell volume: 1151.27 Cell parameters: 11.6708; 11.9674; 8.2434; 90; 90.678; 90; |
| COD ID: 1552803 | |
| CIF file | Formula: - C16 H16 N4 O - Comments: Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei Fluorescence of Hydroxyphenyl-Substituted "Click" Triazoles. The journal of physical chemistry. A 122(11) (2018) 2956-2973 Space group: P -1 Cell volume: 2803.2 Cell parameters: 13.2955; 13.5219; 16.0082; 88.6723; 77.3876; 86.5291; |
| COD ID: 1554048 | |
| CIF file | Formula: - C19 H28 O3 - Comments: Yoshida, Jun; Tamura, Syuhei; Hoshino, Keisuke; Yuge, Hidetaka; Sato, Hisako; Yamazaki, Akane; Yoneda, Shigetaka; Watanabe, Go Comprehensive Understanding of Host- and Guest-Dependent Helix Inversion in Chiral Nematic Liquid Crystals: Experimental and Molecular Dynamics Simulation Study. The journal of physical chemistry. B 122(46) (2018) 10615-10626 Space group: P 1 21/c 1 Cell volume: 1722.7 Cell parameters: 22.184; 9.3308; 8.3408; 90; 93.793; 90; |
| COD ID: 1554049 | |
| CIF file | Formula: - C17 H18 Br O6 Ru - Comments: Yoshida, Jun; Tamura, Syuhei; Hoshino, Keisuke; Yuge, Hidetaka; Sato, Hisako; Yamazaki, Akane; Yoneda, Shigetaka; Watanabe, Go Comprehensive Understanding of Host- and Guest-Dependent Helix Inversion in Chiral Nematic Liquid Crystals: Experimental and Molecular Dynamics Simulation Study. The journal of physical chemistry. B 122(46) (2018) 10615-10626 Space group: P 1 21 1 Cell volume: 919.7 Cell parameters: 8.3747; 7.8561; 14.2286; 90; 100.751; 90; |
| COD ID: 1554050 | |
| CIF file | Formula: - C4 H8 F2 Li N O6 S3 - Comments: Dokko, Kaoru; Watanabe, Daiki; Ugata, Yosuke; Thomas, Morgan L.; Tsuzuki, Seiji; Shinoda, Wataru; Hashimoto, Kei; Ueno, Kazuhide; Umebayashi, Yasuhiro; Watanabe, Masayoshi Direct Evidence for Li Ion Hopping Conduction in Highly Concentrated Sulfolane-Based Liquid Electrolytes. The journal of physical chemistry. B 122(47) (2018) 10736-10745 Space group: P 1 21/c 1 Cell volume: 1120.19 Cell parameters: 5.0746; 22.6735; 9.7382; 90; 91.266; 90; |
| COD ID: 1554051 | |
| CIF file | Formula: - C4 H8 B F4 Li O2 S - Comments: Dokko, Kaoru; Watanabe, Daiki; Ugata, Yosuke; Thomas, Morgan L.; Tsuzuki, Seiji; Shinoda, Wataru; Hashimoto, Kei; Ueno, Kazuhide; Umebayashi, Yasuhiro; Watanabe, Masayoshi Direct Evidence for Li Ion Hopping Conduction in Highly Concentrated Sulfolane-Based Liquid Electrolytes. The journal of physical chemistry. B 122(47) (2018) 10736-10745 Space group: P 21 21 21 Cell volume: 837.1 Cell parameters: 5.156; 8.8536; 18.337; 90; 90; 90; |
| COD ID: 1554052 | |
| CIF file | Formula: - C4 H4 Cl Li O10 S - Comments: Dokko, Kaoru; Watanabe, Daiki; Ugata, Yosuke; Thomas, Morgan L.; Tsuzuki, Seiji; Shinoda, Wataru; Hashimoto, Kei; Ueno, Kazuhide; Umebayashi, Yasuhiro; Watanabe, Masayoshi Direct Evidence for Li Ion Hopping Conduction in Highly Concentrated Sulfolane-Based Liquid Electrolytes. The journal of physical chemistry. B 122(47) (2018) 10736-10745 Space group: P 1 21/n 1 Cell volume: 1451.8 Cell parameters: 8.7664; 8.5519; 19.416; 90; 94.157; 90; |
| COD ID: 1554102 | |
| CIF file | Formula: - C26 H26 O4 - Comments: Ivanova, Lena V.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra Probing Charge Delocalization in Solid State Polychromophoric Cation Radicals Using X-ray Crystallography and DFT Calculations The Journal of Physical Chemistry C 122(17) (2018) 9339 Space group: P n m a Cell volume: 2160.4 Cell parameters: 9.0071; 15.226; 15.753; 90; 90; 90; |
| COD ID: 1554103 | |
| CIF file | Formula: - C48 H44 Cl6 O4 Sb - Comments: Ivanova, Lena V.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra Probing Charge Delocalization in Solid State Polychromophoric Cation Radicals Using X-ray Crystallography and DFT Calculations The Journal of Physical Chemistry C 122(17) (2018) 9339 Space group: P 1 21/c 1 Cell volume: 2150.9 Cell parameters: 8.0069; 15.6265; 17.2565; 90; 95.002; 90; |
| COD ID: 1554104 | |
| CIF file | Formula: - C26.77 H27.55 Cl7.55 O4 Sb - Comments: Ivanova, Lena V.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra Probing Charge Delocalization in Solid State Polychromophoric Cation Radicals Using X-ray Crystallography and DFT Calculations The Journal of Physical Chemistry C 122(17) (2018) 9339 Space group: P 1 21/n 1 Cell volume: 9259 Cell parameters: 24.449; 15.41; 26.186; 90; 110.194; 90; |
| COD ID: 1554105 | |
| CIF file | Formula: - C24 H22 O2 - Comments: Ivanova, Lena V.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra Probing Charge Delocalization in Solid State Polychromophoric Cation Radicals Using X-ray Crystallography and DFT Calculations The Journal of Physical Chemistry C 122(17) (2018) 9339 Space group: P 1 21/c 1 Cell volume: 1746.2 Cell parameters: 15.3874; 12.9063; 8.8; 90; 92.315; 90; |
| COD ID: 1554106 | |
| CIF file | Formula: - C38 H46 N2 - Comments: Más-Montoya, Miriam; Georgakopoulos, Stamatis; Cerón-Carrasco, José Pedro; Pérez, José; Tárraga, Alberto; Curiel, David Structure–Property Correlation behind the High Mobility of Carbazolocarbazole The Journal of Physical Chemistry C 122(22) (2018) 11736 Space group: P 1 21/c 1 Cell volume: 1485.58 Cell parameters: 17.9035; 4.6373; 17.9058; 90; 92.1361; 90; |
| COD ID: 1554107 | |
| CIF file | Formula: - C60 H62 Cl8 O8 - Comments: Ivanov, Maxim V.; Shukla, Ruchi; Lindeman, Sergey V.; Wang, Denan; Rathore, Rajendra Pyrene-Like HOMO Governs Polaron Delocalization in Model Graphitic Strips: A Combined Experimental and Computational Analysis The Journal of Physical Chemistry C 122(43) (2018) 24527 Space group: P -1 Cell volume: 1423.93 Cell parameters: 7.2423; 13.4771; 16.3116; 110.15; 97.962; 101.905; |
| COD ID: 1554108 | |
| CIF file | Formula: - C62 H66 Cl18 O8 Sb - Comments: Ivanov, Maxim V.; Shukla, Ruchi; Lindeman, Sergey V.; Wang, Denan; Rathore, Rajendra Pyrene-Like HOMO Governs Polaron Delocalization in Model Graphitic Strips: A Combined Experimental and Computational Analysis The Journal of Physical Chemistry C 122(43) (2018) 24527 Space group: P -1 Cell volume: 1779.7 Cell parameters: 9.8693; 13.3894; 14.5898; 102.43; 95.186; 106.663; |
| COD ID: 1554109 | |
| CIF file | Formula: - C48 H38 - Comments: Ivanov, Maxim V.; Shukla, Ruchi; Lindeman, Sergey V.; Wang, Denan; Rathore, Rajendra Pyrene-Like HOMO Governs Polaron Delocalization in Model Graphitic Strips: A Combined Experimental and Computational Analysis The Journal of Physical Chemistry C 122(43) (2018) 24527 Space group: C 1 2 1 Cell volume: 13117.2 Cell parameters: 31.8593; 8.0078; 51.818; 90; 97.15; 90; |
| COD ID: 1554110 | |
| CIF file | Formula: - C50 H42 Cl10 Sb - Comments: Ivanov, Maxim V.; Shukla, Ruchi; Lindeman, Sergey V.; Wang, Denan; Rathore, Rajendra Pyrene-Like HOMO Governs Polaron Delocalization in Model Graphitic Strips: A Combined Experimental and Computational Analysis The Journal of Physical Chemistry C 122(43) (2018) 24527 Space group: P -1 Cell volume: 1161.38 Cell parameters: 9.8602; 10.0886; 14.1215; 71.273; 74.028; 61.981; |
| COD ID: 1554111 | |
| CIF file | Formula: - C6 H7 N3 O S - Comments: Ding, Sheng; Lin, He; Yu, Yuming; Liu, Lang; Deng, Caiming; Zhao, Jianzhang; Jia, Dianzeng Molecular Orbital Delocalization/Localization-Induced Crystal-to-Crystal Photochromism of Schiff Bases without ortho-Hydroxyl Groups The Journal of Physical Chemistry C 122(43) (2018) 24933 Space group: P 1 21/c 1 Cell volume: 788.69 Cell parameters: 11.7088; 5.4866; 12.494; 90; 100.697; 90; |
| COD ID: 1554112 | |
| CIF file | Formula: - C6 H7 N3 O S - Comments: Ding, Sheng; Lin, He; Yu, Yuming; Liu, Lang; Deng, Caiming; Zhao, Jianzhang; Jia, Dianzeng Molecular Orbital Delocalization/Localization-Induced Crystal-to-Crystal Photochromism of Schiff Bases without ortho-Hydroxyl Groups The Journal of Physical Chemistry C 122(43) (2018) 24933 Space group: P 1 21/c 1 Cell volume: 783.3 Cell parameters: 11.708; 5.4645; 12.461; 90; 100.72; 90; |
| COD ID: 1554113 | |
| CIF file | Formula: - C6 H7 N3 S2 - Comments: Ding, Sheng; Lin, He; Yu, Yuming; Liu, Lang; Deng, Caiming; Zhao, Jianzhang; Jia, Dianzeng Molecular Orbital Delocalization/Localization-Induced Crystal-to-Crystal Photochromism of Schiff Bases without ortho-Hydroxyl Groups The Journal of Physical Chemistry C 122(43) (2018) 24933 Space group: P 1 21/n 1 Cell volume: 1679.5 Cell parameters: 13.571; 5.8222; 21.393; 90; 96.499; 90; |
| COD ID: 1554114 | |
| CIF file | Formula: - C6 H7 N3 S2 - Comments: Ding, Sheng; Lin, He; Yu, Yuming; Liu, Lang; Deng, Caiming; Zhao, Jianzhang; Jia, Dianzeng Molecular Orbital Delocalization/Localization-Induced Crystal-to-Crystal Photochromism of Schiff Bases without ortho-Hydroxyl Groups The Journal of Physical Chemistry C 122(43) (2018) 24933 Space group: P 1 21/n 1 Cell volume: 1703.6 Cell parameters: 13.676; 5.846; 21.421; 90; 95.877; 90; |
| COD ID: 1554115 | |
| CIF file | Formula: - C6 H7 N3 S2 - Comments: Ding, Sheng; Lin, He; Yu, Yuming; Liu, Lang; Deng, Caiming; Zhao, Jianzhang; Jia, Dianzeng Molecular Orbital Delocalization/Localization-Induced Crystal-to-Crystal Photochromism of Schiff Bases without ortho-Hydroxyl Groups The Journal of Physical Chemistry C 122(43) (2018) 24933 Space group: P 1 21/n 1 Cell volume: 1679.6 Cell parameters: 13.5702; 5.8215; 21.396; 90; 96.44; 90; |
| COD ID: 1554116 | |
| CIF file | Formula: - C34 H17 N5 S2 - Comments: Peng, Yu-Xin; Gan, Yi-Tao; Shi, Rong-Guang; Huang, Wei; Tao, Tao Construction of a Layered Hydrogen-Bonded Organic Framework Showing High-Contrast Mechanoresponsive Luminescence Turn-On The Journal of Physical Chemistry C 122(51) (2018) 29488 Space group: P -1 Cell volume: 1605.8 Cell parameters: 8.283; 12.815; 16.686; 67.954; 78.039; 84.714; |
| COD ID: 1554117 | |
| CIF file | Formula: - C45 H27 Cl3 N4 S - Comments: Peng, Yu-Xin; Gan, Yi-Tao; Shi, Rong-Guang; Huang, Wei; Tao, Tao Construction of a Layered Hydrogen-Bonded Organic Framework Showing High-Contrast Mechanoresponsive Luminescence Turn-On The Journal of Physical Chemistry C 122(51) (2018) 29488 Space group: P -1 Cell volume: 2001 Cell parameters: 10.649; 11.826; 17.306; 109.939; 100.431; 92.727; |
| COD ID: 1554118 | |
| CIF file | Formula: - C44 H26 N4 S - Comments: Peng, Yu-Xin; Gan, Yi-Tao; Shi, Rong-Guang; Huang, Wei; Tao, Tao Construction of a Layered Hydrogen-Bonded Organic Framework Showing High-Contrast Mechanoresponsive Luminescence Turn-On The Journal of Physical Chemistry C 122(51) (2018) 29488 Space group: P -1 Cell volume: 2169.7 Cell parameters: 10.498; 11.83; 18.204; 105.686; 91.636; 93.649; |
| COD ID: 1554119 | |
| CIF file | Formula: - C34 H17 N5 S2 - Comments: Peng, Yu-Xin; Gan, Yi-Tao; Shi, Rong-Guang; Huang, Wei; Tao, Tao Construction of a Layered Hydrogen-Bonded Organic Framework Showing High-Contrast Mechanoresponsive Luminescence Turn-On The Journal of Physical Chemistry C 122(51) (2018) 29488 Space group: P -1 Cell volume: 1616.5 Cell parameters: 8.248; 12.91; 16.731; 112.308; 97.811; 94.47; |
| COD ID: 1554120 | |
| CIF file | Formula: - C43 H36 N2 O2 S - Comments: Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P. Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters The Journal of Physical Chemistry C 122(50) (2018) 28564 Space group: P 21 21 21 Cell volume: 3371.72 Cell parameters: 12.9552; 12.9939; 20.0294; 90; 90; 90; |
| COD ID: 1554121 | |
| CIF file | Formula: - C39 H32 N2 O2 S - Comments: Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P. Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters The Journal of Physical Chemistry C 122(50) (2018) 28564 Space group: P 1 21/c 1 Cell volume: 2981.5 Cell parameters: 13.3299; 18.653; 12.4216; 90; 105.127; 90; |
| COD ID: 1554122 | |
| CIF file | Formula: - C39 H32 N2 O2 S - Comments: Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P. Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters The Journal of Physical Chemistry C 122(50) (2018) 28564 Space group: P -1 Cell volume: 3039 Cell parameters: 12.4874; 13.7988; 18.8029; 76.4901; 75.159; 83.1146; |
| COD ID: 1554123 | |
| CIF file | Formula: - C41.7 H38.28 Cl0.12 N2 O2 S - Comments: Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P. Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters The Journal of Physical Chemistry C 122(50) (2018) 28564 Space group: P b c a Cell volume: 6685.6 Cell parameters: 12.8953; 16.0322; 32.3384; 90; 90; 90; |
| COD ID: 1554124 | |
| CIF file | Formula: - C44 H38 Cl2 N2 O2 S - Comments: Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P. Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters The Journal of Physical Chemistry C 122(50) (2018) 28564 Space group: P b c a Cell volume: 7145.2 Cell parameters: 16.8912; 11.396; 37.1194; 90; 90; 90; |
| COD ID: 1554125 | |
| CIF file | Formula: - C44 H38 Cl2 N2 O2 S - Comments: Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P. Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters The Journal of Physical Chemistry C 122(50) (2018) 28564 Space group: P b c a Cell volume: 7215.1 Cell parameters: 16.9973; 11.406; 37.216; 90; 90; 90; |
| COD ID: 1554126 | |
| CIF file | Formula: - C46 H42 N2 O3 S - Comments: Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P. Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters The Journal of Physical Chemistry C 122(50) (2018) 28564 Space group: P 1 21/n 1 Cell volume: 3630 Cell parameters: 11.721; 11.304; 27.587; 90; 96.745; 90; |
| COD ID: 2002859 | |
| CIF file | Formula: - Ag2 Ba Hg2 O4 - Comments: Soll, M; Mueller-Buschbaum, Hk Das erste Erdalkalimetall-Argentato-Mercurat(II): Ba Ag2 Hg2 O4 Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 122 (1991) 915-920 Space group: P 4/n b m :1 Cell volume: 326 Cell parameters: 6.786; 6.786; 7.08; 90; 90; 90; |
| COD ID: 4115861 | |
| CIF file | Formula: - Cu0.32 Dy Te2 - Comments: Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2 Journal of the American Chemical Society 122 (2000) 80-86 Space group: P b c m Cell volume: 370.41 Cell parameters: 7.5278; 8.1269; 6.0546; 90; 90; 90; |
| COD ID: 4115862 | |
| CIF file | Formula: - Cu0.33 Gd Te2 - Comments: Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2 Journal of the American Chemical Society 122 (2000) 80-86 Space group: P b c m Cell volume: 378.34 Cell parameters: 7.567; 8.211; 6.0893; 90; 90; 90; |
| COD ID: 4115863 | |
| CIF file | Formula: - Cu0.4 La Te2 - Comments: Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2 Journal of the American Chemical Society 122 (2000) 80-86 Space group: P b c m Cell volume: 417.72 Cell parameters: 7.7063; 8.5882; 6.3115; 90; 90; 90; |
| COD ID: 4115864 | |
| CIF file | Formula: - Cu0.37 Nd Te2 - Comments: Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2 Journal of the American Chemical Society 122 (2000) 80-86 Space group: P b c m Cell volume: 396.49 Cell parameters: 7.6349; 8.398; 6.1838; 90; 90; 90; |
| COD ID: 4115865 | |
| CIF file | Formula: - Cu0.34 Sm Te2 - Comments: Fu Qiang Huang; Paul Brazis; Carl R. Kannewurf; James A. Ibers Syntheses, Structures, Physical Properties, and Theoretical Study of LaCu0.40Te2, NdCu0.37Te2, SmCu0.34Te2, GdCu0.33Te2, and DyCu0.32Te2 Journal of the American Chemical Society 122 (2000) 80-86 Space group: P b c m Cell volume: 387.8 Cell parameters: 7.6003; 8.3085; 6.1412; 90; 90; 90; |
| COD ID: 4115866 | |
| CIF file | Formula: - C24 H27 Cl3 Cu2 N6 O13 - Comments: Chuan He; Stephen J. Lippard Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand Journal of the American Chemical Society 122 (2000) 184-185 Space group: P 1 21/c 1 Cell volume: 6169.3 Cell parameters: 18.4753; 24.7873; 13.8827; 90; 103.98; 90; |
| COD ID: 4115867 | |
| CIF file | Formula: - C36 H37 Cl2 Cu2 N6 O13 P - Comments: Chuan He; Stephen J. Lippard Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand Journal of the American Chemical Society 122 (2000) 184-185 Space group: P b c a Cell volume: 7978.6 Cell parameters: 21.3905; 14.6381; 25.4813; 90; 90; 90; |
| COD ID: 4115868 | |
| CIF file | Formula: - C31 H44 Cl2 N6 Ni2 O15 - Comments: Chuan He; Stephen J. Lippard Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand Journal of the American Chemical Society 122 (2000) 184-185 Space group: I 1 2/a 1 Cell volume: 7883.3 Cell parameters: 20.6472; 13.1795; 28.9832; 90; 91.723; 90; |
| COD ID: 4115869 | |
| CIF file | Formula: - C56 H68 Cl4 Co4 N16 O20 - Comments: Chuan He; Stephen J. Lippard Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand Journal of the American Chemical Society 122 (2000) 184-185 Space group: I 1 2/a 1 Cell volume: 6921.78 Cell parameters: 24.6718; 11.072; 26.8327; 90; 109.207; 90; |
| COD ID: 4115870 | |
| CIF file | Formula: - C36 H39 Cl2 N6 O12 P Zn2 - Comments: Chuan He; Stephen J. Lippard Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand Journal of the American Chemical Society 122 (2000) 184-185 Space group: P 1 21/c 1 Cell volume: 4144.1 Cell parameters: 14.6962; 14.7253; 20.2001; 90; 108.557; 90; |
| COD ID: 4115871 | |
| CIF file | Formula: - C36 H35 Mn O5 P2 Pt S - Comments: Sanshiro Komiya; Shin-ya Muroi; Masaki Furuya; Masafumi Hirano Regio- and Stereoselective Insertion Reactions of Thiiranes into Pt-Mn (or Re) Bond in Organoplatinum-Manganese or -Rhenium Heterodinuclear Complexes as Intermediates toward Desulfurization Reaction Journal of the American Chemical Society 122 (2000) 170-171 Space group: P -1 Cell volume: 1994.2 Cell parameters: 13.755; 13.79; 11.26; 97.82; 104.17; 75; |
| COD ID: 4115872 | |
| CIF file | Formula: - C32 H27 Mn O5 P2 Pt - Comments: Sanshiro Komiya; Shin-ya Muroi; Masaki Furuya; Masafumi Hirano Regio- and Stereoselective Insertion Reactions of Thiiranes into Pt-Mn (or Re) Bond in Organoplatinum-Manganese or -Rhenium Heterodinuclear Complexes as Intermediates toward Desulfurization Reaction Journal of the American Chemical Society 122 (2000) 170-171 Space group: P -1 Cell volume: 3130 Cell parameters: 16.12; 16.238; 12.232; 102.01; 91.19; 88.27; |
| COD ID: 4115873 | |
| CIF file | Formula: - C39 H38 Mn O5 P2 Pt S - Comments: Sanshiro Komiya; Shin-ya Muroi; Masaki Furuya; Masafumi Hirano Regio- and Stereoselective Insertion Reactions of Thiiranes into Pt-Mn (or Re) Bond in Organoplatinum-Manganese or -Rhenium Heterodinuclear Complexes as Intermediates toward Desulfurization Reaction Journal of the American Chemical Society 122 (2000) 170-171 Space group: P -1 Cell volume: 1868 Cell parameters: 13.09; 14.23; 10.79; 106.7; 103.9; 84.8; |
| COD ID: 4115874 | |
| CIF file | Formula: - C33 H64 F12 N6 O24 P4 Ru2 S6 - Comments: Md. Munkir Hossain; Yong-Shou Lin; Hiroyasu Sugiyama; Kazuko Matsumoto Allylic C-H Bond Activation on a Sulfur Center of a Disulfide-Bridged Diruthenium Complex with Concomitant Formation of C-S Bonds Journal of the American Chemical Society 122 (2000) 172-173 Space group: P -1 Cell volume: 3313.7 Cell parameters: 12.624; 13.4087; 20.2605; 104.679; 91.826; 91.535; |
| COD ID: 4115875 | |
| CIF file | Formula: - C34 H69 Ag F24 N8 O12 P8 Ru2 S2 - Comments: Md. Munkir Hossain; Yong-Shou Lin; Hiroyasu Sugiyama; Kazuko Matsumoto Allylic C-H Bond Activation on a Sulfur Center of a Disulfide-Bridged Diruthenium Complex with Concomitant Formation of C-S Bonds Journal of the American Chemical Society 122 (2000) 172-173 Space group: P -1 Cell volume: 7029 Cell parameters: 19.43; 22.858; 16.741; 99.99; 93.68; 104.92; |
| COD ID: 4115876 | |
| CIF file | Formula: - C48 H72 B2 F8 N8 Ni2 O8 - Comments: Kazushi Shiren; Seiji Ogo; Shuhei Fujinami; Hideki Hayashi; Masatatsu Suzuki; Akira Uehara; Yoshihito Watanabe; Yoshihiko Moro-oka Synthesis, Structures, and Properties of Bis(μ-oxo)nickel(III) and Bis(μ-superoxo)nickel(II) Complexes: An Unusual Conversion of a NiIII2(μ-O)2 Core into a NiII2(μ-OO)2 Core by H2O2 and Oxygenation of Ligand Journal of the American Chemical Society 122 (2000) 254-262 Space group: P -1 Cell volume: 5333.4 Cell parameters: 16.32; 22.616; 14.45; 89.957; 89.932; 90.183; |
| COD ID: 4115877 | |
| CIF file | Formula: - C48 H72 B2 F8 N8 Ni2 O10 - Comments: Kazushi Shiren; Seiji Ogo; Shuhei Fujinami; Hideki Hayashi; Masatatsu Suzuki; Akira Uehara; Yoshihito Watanabe; Yoshihiko Moro-oka Synthesis, Structures, and Properties of Bis(μ-oxo)nickel(III) and Bis(μ-superoxo)nickel(II) Complexes: An Unusual Conversion of a NiIII2(μ-O)2 Core into a NiII2(μ-OO)2 Core by H2O2 and Oxygenation of Ligand Journal of the American Chemical Society 122 (2000) 254-262 Space group: P 1 21/n 1 Cell volume: 2795 Cell parameters: 13.301; 15.638; 13.857; 90; 104.17; 90; |
| COD ID: 4115878 | |
| CIF file | Formula: - C45 H56 Cl2 N8 Ni2 O11 - Comments: Kazushi Shiren; Seiji Ogo; Shuhei Fujinami; Hideki Hayashi; Masatatsu Suzuki; Akira Uehara; Yoshihito Watanabe; Yoshihiko Moro-oka Synthesis, Structures, and Properties of Bis(μ-oxo)nickel(III) and Bis(μ-superoxo)nickel(II) Complexes: An Unusual Conversion of a NiIII2(μ-O)2 Core into a NiII2(μ-OO)2 Core by H2O2 and Oxygenation of Ligand Journal of the American Chemical Society 122 (2000) 254-262 Space group: P -1 Cell volume: 2379.2 Cell parameters: 12.916; 17.394; 11.7; 107.22; 108.63; 84.53; |
| COD ID: 4115879 | |
| CIF file | Formula: - C79 H86 Cl2 N8 O3 Zn2 - Comments: Yongqi Deng; Christopher J. Chang; Daniel G. Nocera Direct Observation of the "Pac-Man" Effect from Dibenzofuran-Bridged Cofacial Bisporphyrins Journal of the American Chemical Society 122 (2000) 410-411 Space group: C 1 2/c 1 Cell volume: 7549.5 Cell parameters: 23.0808; 25.9458; 13.4593; 90; 110.503; 90; |
| COD ID: 4115880 | |
| CIF file | Formula: - C81 H84 Cl3 Fe2 N8 O4 - Comments: Yongqi Deng; Christopher J. Chang; Daniel G. Nocera Direct Observation of the "Pac-Man" Effect from Dibenzofuran-Bridged Cofacial Bisporphyrins Journal of the American Chemical Society 122 (2000) 410-411 Space group: P 21 21 21 Cell volume: 7191 Cell parameters: 13.896; 15.476; 33.44; 90; 90; 90; |
| COD ID: 4115881 | |
| CIF file | Formula: - C64 H84 B O V - Comments: Douglas C. Gordon; Laura Deakin; Atta M. Arif; Joel S. Miller Identification of [MII(Arene)2]2+ (M = V, Cr) as the Key Intermediate in the Formation of V[TCNE]x.ySolvent Magnets and Cr[TCNE]x.Solvent Journal of the American Chemical Society 122 (2000) 290-299 Space group: P 1 21/c 1 Cell volume: 6065.57 Cell parameters: 11.2396; 20.2835; 26.6935; 90; 94.643; 90; |
| COD ID: 4115882 | |
| CIF file | Formula: - C48 H72 N4 O1.5 V - Comments: Douglas C. Gordon; Laura Deakin; Atta M. Arif; Joel S. Miller Identification of [MII(Arene)2]2+ (M = V, Cr) as the Key Intermediate in the Formation of V[TCNE]x.ySolvent Magnets and Cr[TCNE]x.Solvent Journal of the American Chemical Society 122 (2000) 290-299 Space group: P 1 21/c 1 Cell volume: 4597.1 Cell parameters: 11.0332; 18.3389; 22.7485; 90; 92.8691; 90; |
| COD ID: 4115883 | |
| CIF file | Formula: - C32 H41 N O4 Si - Comments: Katsuhiko Tomooka; Atsuo Nakazaki; Takeshi Nakai A Novel Aryl Migration from Silicon to Carbon: An Efficient Approach to Asymmetric Synthesis of α-Aryl β-Hydroxy Cyclic Amines and Silanols Journal of the American Chemical Society 122 (2000) 408-409 Space group: P 21 21 21 Cell volume: 3089 Cell parameters: 10.1818; 31.962; 9.4921; 90; 90; 90; |
| COD ID: 4115884 | |
| CIF file | Formula: - C26 H37 N O4 Si - Comments: Katsuhiko Tomooka; Atsuo Nakazaki; Takeshi Nakai A Novel Aryl Migration from Silicon to Carbon: An Efficient Approach to Asymmetric Synthesis of α-Aryl β-Hydroxy Cyclic Amines and Silanols Journal of the American Chemical Society 122 (2000) 408-409 Space group: P 1 21/c 1 Cell volume: 2610.1 Cell parameters: 12.963; 9.2062; 22.415; 90; 102.65; 90; |
| COD ID: 4115885 | |
| CIF file | Formula: - C16 H24 Cr2 N4 O8 - Comments: F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo; Hong-Cai Zhou After 155 Years, A Crystalline Chromium Carboxylate with a Supershort Cr-Cr Bond Journal of the American Chemical Society 122 (2000) 416-417 Space group: P 1 21/n 1 Cell volume: 1165.8 Cell parameters: 10.701; 10.206; 10.912; 90; 101.978; 90; |
| COD ID: 4115886 | |
| CIF file | Formula: - C64 H92 Cr2 O8 - Comments: F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo; Hong-Cai Zhou After 155 Years, A Crystalline Chromium Carboxylate with a Supershort Cr-Cr Bond Journal of the American Chemical Society 122 (2000) 416-417 Space group: P -1 Cell volume: 1484.52 Cell parameters: 9.7448; 11.7879; 14.6524; 70.899; 70.691; 76.115; |
| COD ID: 4115887 | |
| CIF file | Formula: - C69.5 H101 Cl3 Cr2 N2 O8 - Comments: F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo; Hong-Cai Zhou After 155 Years, A Crystalline Chromium Carboxylate with a Supershort Cr-Cr Bond Journal of the American Chemical Society 122 (2000) 416-417 Space group: P -1 Cell volume: 3708.1 Cell parameters: 14.445; 16.618; 17.529; 65.918; 74.912; 82.713; |
| COD ID: 4115888 | |
| CIF file | Formula: - C45 H35 Fe N3 O2 P2 S - Comments: Wen-Feng Liaw; Nan-Hung Lee; Chien-Hong Chen; Chien-Ming Lee; Gene-Hsiang Lee; Shie-Ming Peng Dinuclear and Mononuclear Iron(II)-Thiolate Complexes with Mixed CO/CN-Ligands: Synthetic Advances for Iron Sites of [Fe]-Only Hydrogenases Journal of the American Chemical Society 122 (2000) 488-494 Space group: P -1 Cell volume: 1995.56 Cell parameters: 9.8985; 14.1558; 14.4381; 90.094; 99.168; 92.304; |
| COD ID: 4115889 | |
| CIF file | Formula: - C50 H45 Fe N6 O2 P2 S2 - Comments: Wen-Feng Liaw; Nan-Hung Lee; Chien-Hong Chen; Chien-Ming Lee; Gene-Hsiang Lee; Shie-Ming Peng Dinuclear and Mononuclear Iron(II)-Thiolate Complexes with Mixed CO/CN-Ligands: Synthetic Advances for Iron Sites of [Fe]-Only Hydrogenases Journal of the American Chemical Society 122 (2000) 488-494 Space group: C 1 2/c 1 Cell volume: 9404.5 Cell parameters: 24.4494; 12.2321; 31.6646; 90; 96.737; 90; |
| COD ID: 4115890 | |
| CIF file | Formula: - C98 H86 Cl4 Fe2 N4 O4 P4 S4 - Comments: Wen-Feng Liaw; Nan-Hung Lee; Chien-Hong Chen; Chien-Ming Lee; Gene-Hsiang Lee; Shie-Ming Peng Dinuclear and Mononuclear Iron(II)-Thiolate Complexes with Mixed CO/CN-Ligands: Synthetic Advances for Iron Sites of [Fe]-Only Hydrogenases Journal of the American Chemical Society 122 (2000) 488-494 Space group: P 1 21/n 1 Cell volume: 4717.7 Cell parameters: 10.8873; 17.574; 24.673; 90; 92.059; 90; |
| COD ID: 4115891 | |
| CIF file | Formula: - C80 H144 Cl2 N40 O50 S - Comments: Jaheon Kim; In-Sun Jung; Soo-Young Kim; Eunsung Lee; Jin-Koo Kang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim New Cucurbituril Homologues: Syntheses, Isolation, Characterization, and X-ray Crystal Structures of Cucurbit[n]uril (n= 5, 7, and 8) Journal of the American Chemical Society 122 (2000) 540-541 Space group: P 1 21/c 1 Cell volume: 5700.7 Cell parameters: 13.8327; 18.5925; 22.4398; 90; 98.962; 90; |
| COD ID: 4115892 | |
| CIF file | Formula: - C30 H38 N20 O14 - Comments: Jaheon Kim; In-Sun Jung; Soo-Young Kim; Eunsung Lee; Jin-Koo Kang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim New Cucurbituril Homologues: Syntheses, Isolation, Characterization, and X-ray Crystal Structures of Cucurbit[n]uril (n= 5, 7, and 8) Journal of the American Chemical Society 122 (2000) 540-541 Space group: P n m a Cell volume: 3494 Cell parameters: 13.2314; 18.8133; 14.0361; 90; 90; 90; |
| COD ID: 4115893 | |
| CIF file | Formula: - C46 H96 N28 O50 S4 - Comments: Jaheon Kim; In-Sun Jung; Soo-Young Kim; Eunsung Lee; Jin-Koo Kang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim New Cucurbituril Homologues: Syntheses, Isolation, Characterization, and X-ray Crystal Structures of Cucurbit[n]uril (n= 5, 7, and 8) Journal of the American Chemical Society 122 (2000) 540-541 Space group: P 1 21/n 1 Cell volume: 8185.58 Cell parameters: 12.8547; 20.1325; 31.6616; 90; 92.588; 90; |
| COD ID: 4115894 | |
| CIF file | Formula: - C48 H112 N32 O54 S2 - Comments: Jaheon Kim; In-Sun Jung; Soo-Young Kim; Eunsung Lee; Jin-Koo Kang; Shigeru Sakamoto; Kentaro Yamaguchi; Kimoon Kim New Cucurbituril Homologues: Syntheses, Isolation, Characterization, and X-ray Crystal Structures of Cucurbit[n]uril (n= 5, 7, and 8) Journal of the American Chemical Society 122 (2000) 540-541 Space group: I 41/a :2 Cell volume: 17799.4 Cell parameters: 28.3805; 28.3805; 22.0986; 90; 90; 90; |
| COD ID: 4115895 | |
| CIF file | Formula: - C36 H42 Cl4 Cs N O12 - Comments: Tatiana G. Levitskaia; Jeffrey C. Bryan; Richard A. Sachleben; John D. Lamb; Bruce A. Moyer A Surprising Host-Guest Relationship between 1,2-Dichloroethane and the Cesium Complex of Tetrabenzo-24-crown-8 Journal of the American Chemical Society 122 (2000) 554-562 Space group: P -1 Cell volume: 2082.9 Cell parameters: 13.355; 13.465; 13.642; 90.67; 104.65; 117.435; |
| COD ID: 4115896 | |
| CIF file | Formula: - C74 H135 Cl6 Mo6 N5 O16 - Comments: Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2- Journal of the American Chemical Society 122 (2000) 639-649 Space group: P -1 Cell volume: 9722 Cell parameters: 19.573; 21.725; 23.668; 92.03; 101.77; 98.51; |
| COD ID: 4115897 | |
| CIF file | Formula: - C36 H81 Mo6 N3 O18 - Comments: Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2- Journal of the American Chemical Society 122 (2000) 639-649 Space group: P b c a Cell volume: 10725 Cell parameters: 16.873; 20.048; 31.706; 90; 90; 90; |
| COD ID: 4115898 | |
| CIF file | Formula: - C96 H165 Cl4 Mo6 N7 O14 - Comments: Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2- Journal of the American Chemical Society 122 (2000) 639-649 Space group: C 1 2/c 1 Cell volume: 24946 Cell parameters: 59.94; 15.486; 28.99; 90; 112.02; 90; |
| COD ID: 4115899 | |
| CIF file | Formula: - C44 H89 Mo6 N3 O18 - Comments: Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2- Journal of the American Chemical Society 122 (2000) 639-649 Space group: P b c a Cell volume: 11903 Cell parameters: 18.432; 20.58; 31.379; 90; 90; 90; |
| COD ID: 4115900 | |
| CIF file | Formula: - C75 H147 Cl3 N36 O36 Zn6 - Comments: Shin Aoki; Motoo Shiro; Tohru Koike; Eiichi Kimura Three-Dimensional Supermolecules Assembled from a Tris(Zn2±cyclen) Complex and Di- and Trianionic Cyanuric Acid in Aqueous Solution (Cyclen = 1,4,7,10-Tetraazacyclododecane) Journal of the American Chemical Society 122 (2000) 576-584 Space group: P 1 21/n 1 Cell volume: 12755 Cell parameters: 27.327; 29.127; 16.025; 90; 90.56; 90; |
| COD ID: 4115901 | |
| CIF file | Formula: - C144 H344 N72 O88 Zn12 - Comments: Shin Aoki; Motoo Shiro; Tohru Koike; Eiichi Kimura Three-Dimensional Supermolecules Assembled from a Tris(Zn2±cyclen) Complex and Di- and Trianionic Cyanuric Acid in Aqueous Solution (Cyclen = 1,4,7,10-Tetraazacyclododecane) Journal of the American Chemical Society 122 (2000) 576-584 Space group: I -4 3 m Cell volume: 12862 Cell parameters: 23.43; 23.43; 23.43; 90; 90; 90; |
| COD ID: 4115902 | |
| CIF file | Formula: - C30 H28 Br2 N2 O - Comments: Hormuzd R. Mulla; Arthur Cammers-Goodwin Stability of a Minimalist, Aromatic Cluster in Aqueous Mixtures of Fluoro Alcohol Journal of the American Chemical Society 122 (2000) 738-739 Space group: P 1 21/c 1 Cell volume: 2654.8 Cell parameters: 18.729; 11.758; 12.061; 90; 91.73; 90; |
| COD ID: 4115903 | |
| CIF file | Formula: - C30 H30 Br2 N2 O2 - Comments: Hormuzd R. Mulla; Arthur Cammers-Goodwin Stability of a Minimalist, Aromatic Cluster in Aqueous Mixtures of Fluoro Alcohol Journal of the American Chemical Society 122 (2000) 738-739 Space group: P 1 21/c 1 Cell volume: 1383.7 Cell parameters: 9.04; 7.918; 19.345; 90; 92.17; 90; |
| COD ID: 4115904 | |
| CIF file | Formula: - C29 H30 Cl4 N3 O4 P - Comments: Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus Journal of the American Chemical Society 122 (2000) 964-965 Space group: P -1 Cell volume: 1584.3 Cell parameters: 9.628; 10.144; 17.6252; 81.719; 84.37; 68.62; |
| COD ID: 4115905 | |
| CIF file | Formula: - C42 H43 Cl4 O4 P - Comments: Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus Journal of the American Chemical Society 122 (2000) 964-965 Space group: P -1 Cell volume: 1963 Cell parameters: 11.326; 12.984; 15.124; 105.69; 110.74; 94.71; |
| COD ID: 4115906 | |
| CIF file | Formula: - C38.5 H38 Cl5 O4 P S - Comments: Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus Journal of the American Chemical Society 122 (2000) 964-965 Space group: P -1 Cell volume: 1925.3 Cell parameters: 11.656; 12.354; 13.738; 82.49; 79.47; 85.56; |
| COD ID: 4115907 | |
| CIF file | Formula: - C37 H41 Cl4 O4 P - Comments: Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus Journal of the American Chemical Society 122 (2000) 964-965 Space group: P -1 Cell volume: 1825.5 Cell parameters: 10.444; 13.6216; 14.8438; 65.909; 78.6; 71.82; |
| COD ID: 4115908 | |
| CIF file | Formula: - C37 H42 Cl4 N O4 P - Comments: Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus Journal of the American Chemical Society 122 (2000) 964-965 Space group: P -1 Cell volume: 1856 Cell parameters: 10.841; 13.382; 15.039; 64.55; 84.89; 70.72; |
| COD ID: 4115909 | |
| CIF file | Formula: - C47 H45 Cl4 N O4 P2 - Comments: Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus Journal of the American Chemical Society 122 (2000) 964-965 Space group: P 1 21/n 1 Cell volume: 4604.6 Cell parameters: 12.205; 26.86; 14.048; 90; 91.01; 90; |
| COD ID: 4115910 | |
| CIF file | Formula: - C46 H11 Cu F20 N4 O - Comments: Hiroyuki Furuta; Hiromitsu Maeda; Atsuhiro Osuka Doubly N-Confused Porphyrin: A New Complexing Agent Capable of Stabilizing Higher Oxidation States Journal of the American Chemical Society 122 (2000) 803-807 Space group: P 1 21/n 1 Cell volume: 4121.7 Cell parameters: 18.583; 8.395; 27.732; 90; 107.69; 90; |
| COD ID: 4115911 | |
| CIF file | Formula: - C46 H14 F20 N4 O - Comments: Hiroyuki Furuta; Hiromitsu Maeda; Atsuhiro Osuka Doubly N-Confused Porphyrin: A New Complexing Agent Capable of Stabilizing Higher Oxidation States Journal of the American Chemical Society 122 (2000) 803-807 Space group: P 1 21/n 1 Cell volume: 4249.4 Cell parameters: 18.685; 8.528; 27.886; 90; 107; 90; |
| COD ID: 4115912 | |
| CIF file | Formula: - C46 H11 Ag F20 N4 O - Comments: Hiroyuki Furuta; Hiromitsu Maeda; Atsuhiro Osuka Doubly N-Confused Porphyrin: A New Complexing Agent Capable of Stabilizing Higher Oxidation States Journal of the American Chemical Society 122 (2000) 803-807 Space group: P 1 21/n 1 Cell volume: 4108 Cell parameters: 18.734; 8.324; 27.674; 90; 107.84; 90; |
| COD ID: 4115913 | |
| CIF file | Formula: - Sb7 Ti2.68 Zr4.32 - Comments: Holger Kleinke Zr1-xTixSb: A Novel Antimonide on the Quasibinary Section ZrSb-TiSb with a Complex Crystal Structure Exhibiting Linear Sb Chains and Fragments of the TiSb Structure Journal of the American Chemical Society 122 (2000) 853-860 Space group: C m c m Cell volume: 1212.4 Cell parameters: 24.797; 8.594; 5.6891; 90; 90; 90; |
| COD ID: 4115914 | |
| CIF file | Formula: - Sb7 Ti3.34 Zr3.66 - Comments: Holger Kleinke Zr1-xTixSb: A Novel Antimonide on the Quasibinary Section ZrSb-TiSb with a Complex Crystal Structure Exhibiting Linear Sb Chains and Fragments of the TiSb Structure Journal of the American Chemical Society 122 (2000) 853-860 Space group: C m c m Cell volume: 1195.56 Cell parameters: 24.658; 8.5431; 5.6754; 90; 90; 90; |
| COD ID: 4115915 | |
| CIF file | Formula: - Sb7 Ti3.84 Zr3.16 - Comments: Holger Kleinke Zr1-xTixSb: A Novel Antimonide on the Quasibinary Section ZrSb-TiSb with a Complex Crystal Structure Exhibiting Linear Sb Chains and Fragments of the TiSb Structure Journal of the American Chemical Society 122 (2000) 853-860 Space group: C m c m Cell volume: 1185.79 Cell parameters: 24.558; 8.5206; 5.6669; 90; 90; 90; |
| COD ID: 4115916 | |
| CIF file | Formula: - C64 H56 S4 - Comments: Michael J. Marsella; In Tae Kim; Fook Tham Toward Conjugated Double Helical Ladder Polymers: Cyclooctatetrathiophene as a Highly Versatile Double Helical Scaffold Journal of the American Chemical Society 122 (2000) 974-975 Space group: P -1 Cell volume: 2701.7 Cell parameters: 12.375; 15.0495; 15.9682; 73.682; 79.643; 72.099; |
| COD ID: 4115917 | |
| CIF file | Formula: - C14 H33 N2 P Si2 - Comments: Tsuyoshi Kato; Heinz Gornitzka; Antoine Baceiredo; Andreas Savin; Guy Bertrand On the Electronic Structure of (Phosphino)(silyl)carbenes: Single-Crystal X-ray Diffraction and ELF Analyses Journal of the American Chemical Society 122 (2000) 998-999 Space group: P 1 21 1 Cell volume: 1004.05 Cell parameters: 9.641; 10.608; 10.587; 90; 111.98; 90; |
| COD ID: 4115918 | |
| CIF file | Formula: - C33 H39 Cl4 N2 O4 P - Comments: Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus Journal of the American Chemical Society 122 (2000) 964-965 Space group: P -1 Cell volume: 1812.2 Cell parameters: 11.507; 12.917; 13.209; 67.93; 87.42; 84.94; |
| COD ID: 4115919 | |
| CIF file | Formula: - C44 H108 Cl8 N6 O33 V12 - Comments: N. Kawanami; T. Ozeki; A. Yagasaki NO-Anion Trapped in a Molecular Oxide Bowl Journal of the American Chemical Society 122 (2000) 1239-1240 Space group: I 4 Cell volume: 4262.41 Cell parameters: 19.3979; 19.3979; 11.3278; 90; 90; 90; |
| COD ID: 4115920 | |
| CIF file | Formula: - C20 H17 Cr N O10 - Comments: José Barluenga; Fernando Aznar; Ignacio Gutiérrez; Alfredo Martín; Santiago García-Granda; M. Amparo Llorca-Baragaño First Stepwise Dötz Reaction: Isolation and Characterization of a Chelated Metallatriene Intermediate. Influence of Its Pattern of Substitution in Product Partition Journal of the American Chemical Society 122 (2000) 1314-1324 Space group: P -1 Cell volume: 1318.6 Cell parameters: 9.1582; 10.905; 14.564; 103.8; 100.23; 105.08; |
| COD ID: 4115921 | |
| CIF file | Formula: - C30 H44 Cl4 N20 O23 Pt3 - Comments: Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd) Journal of the American Chemical Society 122 (2000) 1381-1390 Space group: P -1 Cell volume: 2582.9 Cell parameters: 12.408; 12.505; 17.771; 103.19; 91.56; 104.95; |
| COD ID: 4115922 | |
| CIF file | Formula: - C60 H105 F48 N40 O22.5 P8 Pt6 - Comments: Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd) Journal of the American Chemical Society 122 (2000) 1381-1390 Space group: P -1 Cell volume: 6087 Cell parameters: 15.363; 18.948; 21.679; 89.95; 75.24; 86; |
| COD ID: 4115923 | |
| CIF file | Formula: - C10 H14 N8 O6 Pt - Comments: Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd) Journal of the American Chemical Society 122 (2000) 1381-1390 Space group: P -1 Cell volume: 777.2 Cell parameters: 8.878; 10.223; 10.313; 62.44; 77.18; 69.93; |
| COD ID: 4115924 | |
| CIF file | Formula: - C36 H74 F30 N31 O25 P5 Pt6 - Comments: Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd) Journal of the American Chemical Society 122 (2000) 1381-1390 Space group: P 1 21/c 1 Cell volume: 8844 Cell parameters: 16.992; 23.817; 21.944; 90; 95.19; 90; |
| COD ID: 4115925 | |
| CIF file | Formula: - C36 H76 F48 N28 O17 P8 Pd6 - Comments: Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd) Journal of the American Chemical Society 122 (2000) 1381-1390 Space group: P 1 21/c 1 Cell volume: 8744 Cell parameters: 16.977; 22.705; 22.734; 90; 93.74; 90; |
| COD ID: 4115926 | |
| CIF file | Formula: - C36 H85.5 F30 N31 O30.75 P5 Pd3 Pt3 - Comments: Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd) Journal of the American Chemical Society 122 (2000) 1381-1390 Space group: P 1 21/c 1 Cell volume: 8993 Cell parameters: 16.92; 24.099; 22.146; 90; 95.18; 90; |
| COD ID: 4115927 | |
| CIF file | Formula: - C30 H57.5 Ag F12 N23 O22.75 P2 Pt3 - Comments: Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd) Journal of the American Chemical Society 122 (2000) 1381-1390 Space group: P 1 2/c 1 Cell volume: 6172 Cell parameters: 14.936; 13.216; 31.407; 90; 95.43; 90; |
| COD ID: 4115928 | |
| CIF file | Formula: - C30 H64 Ag2 N26 O35 Pt3 - Comments: Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd) Journal of the American Chemical Society 122 (2000) 1381-1390 Space group: P 1 21/m 1 Cell volume: 6537 Cell parameters: 15.03; 22.002; 20.016; 90; 99.04; 90; |
| COD ID: 4115929 | |
| CIF file | Formula: - C26 H61 Cl N2 O22 P2 - Comments: C. V. Krishnamohan Sharma; Abraham Clearfield "Macrocyclic Leaflets" Journal of the American Chemical Society 122 (2000) 1558-1559 Space group: P -1 Cell volume: 991.9 Cell parameters: 7.418; 11.056; 12.63; 87.225; 74.044; 85.097; |
| COD ID: 4115930 | |
| CIF file | Formula: - C39 H97 Cd4 N8 O47 P3 - Comments: C. V. Krishnamohan Sharma; Abraham Clearfield "Macrocyclic Leaflets" Journal of the American Chemical Society 122 (2000) 1558-1559 Space group: P 1 21/c 1 Cell volume: 7189.4 Cell parameters: 17.136; 20.818; 20.858; 90; 104.937; 90; |
| COD ID: 4115931 | |
| CIF file | Formula: - C60 H57 Cl3 Mo N3 O P4 - Comments: Yoshiaki Tanabe; Hidetake Seino; Youichi Ishii; Masanobu Hidai Reaction Mechanism of the CτbN Triple Bond Cleavage of β-Ketonitriles on a Molybdenum(0) Center1 Journal of the American Chemical Society 122 (2000) 1690-1699 Space group: P 1 21/n 1 Cell volume: 5766 Cell parameters: 13.982; 18.416; 22.753; 90; 100.19; 90; |
| COD ID: 4115932 | |
| CIF file | Formula: - C72 H76 Mo N2 O2 P4 - Comments: Yoshiaki Tanabe; Hidetake Seino; Youichi Ishii; Masanobu Hidai Reaction Mechanism of the CτbN Triple Bond Cleavage of β-Ketonitriles on a Molybdenum(0) Center1 Journal of the American Chemical Society 122 (2000) 1690-1699 Space group: P -1 Cell volume: 3227 Cell parameters: 9.8581; 13.628; 25.851; 102.97; 96.791; 104.099; |
| COD ID: 4115933 | |
| CIF file | Formula: - C71 H61 Cl2 F3 Mo N2 O5 P4 S - Comments: Yoshiaki Tanabe; Hidetake Seino; Youichi Ishii; Masanobu Hidai Reaction Mechanism of the CτbN Triple Bond Cleavage of β-Ketonitriles on a Molybdenum(0) Center1 Journal of the American Chemical Society 122 (2000) 1690-1699 Space group: P -1 Cell volume: 3449.3 Cell parameters: 14.983; 15.11; 16.682; 107.7; 102.01; 96.98; |
| COD ID: 4115934 | |
| CIF file | Formula: - C36 H72 Bi2 K2 N4 O12 - Comments: Li Xu; Svilen Bobev; Jaouad El-Bahraoui; Slavi C. Sevov A Naked Diatomic Molecule of Bismuth, [Bi2]2-, with a Short Bi-Bi Bond: Synthesis and Structure Journal of the American Chemical Society 122 (2000) 1838-1839 Space group: R -3 :H Cell volume: 3740.9 Cell parameters: 12.22; 12.22; 28.927; 90; 90; 120; |
| COD ID: 4115935 | |
| CIF file | Formula: - C45 H47 N O5 - Comments: Hiroyuki Hosomi; Shigeru Ohba; Koichi Tanaka; Fumio Toda The First in Situ Observation of Intramolecular Rotation and Cyclization of Anilide by an X-ray Study: Partial Single-Crystal to Single-Crystal Photocyclization of N-Methyl-N-{(E)-methylmethacryloyl}anilide in Inclusion Crystals Journal of the American Chemical Society 122 (2000) 1818-1819 Space group: P 1 Cell volume: 952.2 Cell parameters: 10.224; 10.476; 10.024; 116.84; 93.15; 83.69; |
| COD ID: 4115936 | |
| CIF file | Formula: - C45 H47 N O5 - Comments: Hiroyuki Hosomi; Shigeru Ohba; Koichi Tanaka; Fumio Toda The First in Situ Observation of Intramolecular Rotation and Cyclization of Anilide by an X-ray Study: Partial Single-Crystal to Single-Crystal Photocyclization of N-Methyl-N-{(E)-methylmethacryloyl}anilide in Inclusion Crystals Journal of the American Chemical Society 122 (2000) 1818-1819 Space group: P 1 Cell volume: 940.16 Cell parameters: 10.283; 10.295; 10.141; 118.29; 92.79; 84; |
| COD ID: 4115937 | |
| CIF file | Formula: - C17 H14 F6 S2 - Comments: Taro Yamada; Seiya Kobatake; Keishi Muto; Masahiro Irie X-ray Crystallographic Study on Single-Crystalline Photochromism of Bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene Journal of the American Chemical Society 122 (2000) 1589-1592 Space group: P 1 21/c 1 Cell volume: 1718.2 Cell parameters: 6.2674; 24.787; 11.381; 90; 103.639; 90; |
| COD ID: 4115938 | |
| CIF file | Formula: - C17 H14 F6 S2 - Comments: Taro Yamada; Seiya Kobatake; Keishi Muto; Masahiro Irie X-ray Crystallographic Study on Single-Crystalline Photochromism of Bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene Journal of the American Chemical Society 122 (2000) 1589-1592 Space group: P 1 21/c 1 Cell volume: 1674.8 Cell parameters: 6.2192; 24.52; 11.3026; 90; 103.667; 90; |
| COD ID: 4115939 | |
| CIF file | Formula: - C35 H46 N4 O4 - Comments: Natia L. Frank; Rodolphe Clérac; Jean-Pascal Sutter; Nathalie Daro; Olivier Kahn; Claude Coulon; Michael T. Green; Stéphane Golhen; Lahcène Ouahab Synthesis, Crystal Structure, Magnetic, and Electron Paramagnetic Resonance Properties of a Spiroconjugated Biradical. Evidence for Spiroconjugation Exchange Pathway Journal of the American Chemical Society 122 (2000) 2053-2061 Space group: C 1 2/c 1 Cell volume: 3279 Cell parameters: 24.861; 12.129; 12.258; 90; 117.482; 90; |
| COD ID: 4115940 | |
| CIF file | Formula: - C36 H44 Li N O3 Si - Comments: Atsushi Kawachi; Kohei Tamao Structures of [(Amino)phenylsilyl]lithiums and Related Compounds in Solution and in the Solid State Journal of the American Chemical Society 122 (2000) 1919-1926 Space group: P 1 21 1 Cell volume: 1660.73 Cell parameters: 10.6091; 16.4474; 10.6701; 90; 116.877; 90; |
| COD ID: 4115941 | |
| CIF file | Formula: - C24 H20 F N Si - Comments: Atsushi Kawachi; Kohei Tamao Structures of [(Amino)phenylsilyl]lithiums and Related Compounds in Solution and in the Solid State Journal of the American Chemical Society 122 (2000) 1919-1926 Space group: P 1 21/n 1 Cell volume: 1958.9 Cell parameters: 9.562; 20.869; 10.136; 90; 104.42; 90; |
| COD ID: 4115942 | |
| CIF file | Formula: - C27 H29 N Si Sn - Comments: Atsushi Kawachi; Kohei Tamao Structures of [(Amino)phenylsilyl]lithiums and Related Compounds in Solution and in the Solid State Journal of the American Chemical Society 122 (2000) 1919-1926 Space group: P -1 Cell volume: 1286.7 Cell parameters: 10.413; 12.8154; 9.74; 97.081; 92.01; 86.315; |
| COD ID: 4115943 | |
| CIF file | Formula: - C24 H21 N Si - Comments: Atsushi Kawachi; Kohei Tamao Structures of [(Amino)phenylsilyl]lithiums and Related Compounds in Solution and in the Solid State Journal of the American Chemical Society 122 (2000) 1919-1926 Space group: P 1 21/n 1 Cell volume: 1914.53 Cell parameters: 9.4557; 20.739; 10.0569; 90; 103.887; 90; |
| COD ID: 4115944 | |
| CIF file | Formula: - C16 H14 O4 Te2 - Comments: Osamu Niyomura; Shinzi Kato; Satoshi Inagaki An Unusual Planar Diacyl Ditelluride (2-MeOC6H4COTe)2: The Origin of Its Planarity Journal of the American Chemical Society 122 (2000) 2132-2133 Space group: P 1 21/n 1 Cell volume: 802.8 Cell parameters: 4.319; 12.198; 15.287; 90; 94.6; 90; |
| COD ID: 4115945 | |
| CIF file | Formula: - C16 H14 O4 S2 - Comments: Osamu Niyomura; Shinzi Kato; Satoshi Inagaki An Unusual Planar Diacyl Ditelluride (2-MeOC6H4COTe)2: The Origin of Its Planarity Journal of the American Chemical Society 122 (2000) 2132-2133 Space group: P b c a Cell volume: 3026.9 Cell parameters: 21.786; 15.756; 8.818; 90; 90; 90; |
| COD ID: 4115946 | |
| CIF file | Formula: - C16 H14 O4 Se2 - Comments: Osamu Niyomura; Shinzi Kato; Satoshi Inagaki An Unusual Planar Diacyl Ditelluride (2-MeOC6H4COTe)2: The Origin of Its Planarity Journal of the American Chemical Society 122 (2000) 2132-2133 Space group: P -1 Cell volume: 1596.9 Cell parameters: 8.2734; 26.44; 8.1081; 92.194; 115.366; 85.14; |
| COD ID: 4115947 | |
| CIF file | Formula: - C68 H45 B Cl3 F24 Fe3 N Si - Comments: Mark J. MacLachlan; Sara C. Bourke; Alan J. Lough; Ian Manners Ring-Opening Protonolysis of Strained Silicon-Containing Rings: A New Approach to Ions with Silylium Character Journal of the American Chemical Society 122 (2000) 2126-2127 Space group: P -1 Cell volume: 3339.6 Cell parameters: 14.3274; 14.8789; 17.3698; 75.701; 85.431; 68.56; |
| COD ID: 4115948 | |
| CIF file | Formula: - C17 H17 N5 S - Comments: Piotr Kaszynski; Victor G. Young Nucleophile-Induced Intramolecular Dipole 1,5-Transfer and 1,6-Cyclization: Experimental and ab Initio Studies of Formation, Thermolysis, and Molecular and Electronic Structures of 3,6-Diphenyl-1-propanesulfenimido-1,2,4,5-tetrazine Journal of the American Chemical Society 122 (2000) 2087-2095 Space group: P 1 21/n 1 Cell volume: 1643.01 Cell parameters: 6.8294; 13.6781; 17.5898; 90; 90.666; 90; |
| COD ID: 4115949 | |
| CIF file | Formula: - C65 H70 Ga Li O10 - Comments: Shigeki Matsunaga; Jagattaran Das; Jochen Roels; Erasmus M. Vogl; Noriyoshi Yamamoto; Takehiko Iida; Kentaro Yamaguchi; Masakatsu Shibasaki Catalytic Enantioselectivemeso-Epoxide Ring Opening Reaction with Phenolic Oxygen Nucleophile Promoted by Gallium Heterobimetallic Multifunctional Complexes Journal of the American Chemical Society 122 (2000) 2252-2260 Space group: P 1 21 1 Cell volume: 2804 Cell parameters: 10.013; 19.02; 15.34; 90; 106.32; 90; |
| COD ID: 4115950 | |
| CIF file | Formula: - C41.125 H34.25 B Cl4.25 Co3 F4 N12 - Comments: Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang A New Linear Tricobalt Compound with Di(2-pyridyl)amide (dpa) Ligands: Two-Step Spin Crossover of [Co3(dpa)4Cl2][BF4] Journal of the American Chemical Society 122 (2000) 2272-2278 Space group: P 1 21/n 1 Cell volume: 4680.3 Cell parameters: 11.325; 20.915; 19.786; 90; 92.951; 90; |
| COD ID: 4115951 | |
| CIF file | Formula: - C41.5 H35 B Cl5 Co3 F4 N12 - Comments: Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang A New Linear Tricobalt Compound with Di(2-pyridyl)amide (dpa) Ligands: Two-Step Spin Crossover of [Co3(dpa)4Cl2][BF4] Journal of the American Chemical Society 122 (2000) 2272-2278 Space group: P 1 21/n 1 Cell volume: 4559.5 Cell parameters: 11.3249; 20.759; 19.422; 90; 93.061; 90; |
| COD ID: 4115952 | |
| CIF file | Formula: - C42 H36 B Cl6 Co3 F4 N12 - Comments: Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Tongbu Lu; Carlos A. Murillo; Xiaoping Wang A New Linear Tricobalt Compound with Di(2-pyridyl)amide (dpa) Ligands: Two-Step Spin Crossover of [Co3(dpa)4Cl2][BF4] Journal of the American Chemical Society 122 (2000) 2272-2278 Space group: P 1 21/n 1 Cell volume: 4702.7 Cell parameters: 11.3999; 20.913; 19.752; 90; 92.954; 90; |
| COD ID: 4115953 | |
| CIF file | Formula: - C24 H18 F12 Mn N3 O5 - Comments: Tetsuji Itoh; Kenji Matsuda; Hiizu Iwamura; Kenzi Hori Tris[p-(N-oxyl-N-tert-butylamino)phenyl]amine, -methyl, and -borane Have Doublet, Triplet, and Doublet Ground States, Respectively Journal of the American Chemical Society 122 (2000) 2567-2576 Space group: P 1 21/n 1 Cell volume: 2962.7 Cell parameters: 8.358; 17.716; 20.249; 90; 98.83; 90; |
| COD ID: 4115954 | |
| CIF file | Formula: - C180 H144 F72 N36 Os3 P12 Ru3 - Comments: Josef Breu; Cornelius Kratzer; Hartmut Yersin Crystal Engineering as a Tool for Directed Radiationless Energy Transfer in Layered {Λ-[Ru(bpy)3]Δ-[Os(bpy)3]}(PF6)4 Journal of the American Chemical Society 122 (2000) 2548-2555 Space group: P 3 Cell volume: 4768.7 Cell parameters: 18.4189; 18.4189; 16.2309; 90; 90; 120; |
| COD ID: 4115955 | |
| CIF file | Formula: - C60 H48 F24 N12 Os P4 Ru - Comments: Josef Breu; Cornelius Kratzer; Hartmut Yersin Crystal Engineering as a Tool for Directed Radiationless Energy Transfer in Layered {Λ-[Ru(bpy)3]Δ-[Os(bpy)3]}(PF6)4 Journal of the American Chemical Society 122 (2000) 2548-2555 Space group: P 3 2 1 Cell volume: 1621.39 Cell parameters: 10.7012; 10.7012; 16.349; 90; 90; 120; |
| COD ID: 4115956 | |
| CIF file | Formula: - C120 H124 N48 O36 Pd6 - Comments: Shu-Yan Yu; Takahiro Kusukawa; Kumar Biradha; Makoto Fujita Hydrophobic Assembling of a Coordination Nanobowl into a Dimeric Capsule Which Can Accommodate up to Six Large Organic Molecules Journal of the American Chemical Society 122 (2000) 2665-2666 Space group: P 1 21/c 1 Cell volume: 16169 Cell parameters: 19.579; 20.88; 40.705; 90; 103.673; 90; |
| COD ID: 4115957 | |
| CIF file | Formula: - C126 H132 N48 O36 Pd6 - Comments: Shu-Yan Yu; Takahiro Kusukawa; Kumar Biradha; Makoto Fujita Hydrophobic Assembling of a Coordination Nanobowl into a Dimeric Capsule Which Can Accommodate up to Six Large Organic Molecules Journal of the American Chemical Society 122 (2000) 2665-2666 Space group: P 1 21/c 1 Cell volume: 18456 Cell parameters: 20.182; 36.508; 25.441; 90; 100.079; 90; |
| COD ID: 4115958 | |
| CIF file | Formula: - C120 H124 N48 O36 Pd6 - Comments: Shu-Yan Yu; Takahiro Kusukawa; Kumar Biradha; Makoto Fujita Hydrophobic Assembling of a Coordination Nanobowl into a Dimeric Capsule Which Can Accommodate up to Six Large Organic Molecules Journal of the American Chemical Society 122 (2000) 2665-2666 Space group: P -1 Cell volume: 10111 Cell parameters: 21.048; 21.23; 24.507; 83.098; 73.547; 74.541; |
| COD ID: 4115959 | |
| CIF file | Formula: - C6 H32 Co2 N6 O16 Re6 S8 - Comments: Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long Cyano-Bridged Re~6~Q~8~ (Q = S, Se) Cluster-Cobalt(II) Framework Materials: Versatile Solid Chemical Sensors Journal of the American Chemical Society 122 (2000) 2763-2772 Space group: P 1 21/n 1 Cell volume: 1946.82 Cell parameters: 9.7438; 16.3262; 12.3331; 90; 97.117; 90; |
| COD ID: 4115960 | |
| CIF file | Formula: - C18 H120 Co6 N18 O60 Re18 Se24 - Comments: Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long Cyano-Bridged Re~6~Q~8~ (Q = S, Se) Cluster-Cobalt(II) Framework Materials: Versatile Solid Chemical Sensors Journal of the American Chemical Society 122 (2000) 2763-2772 Space group: C 1 2/c 1 Cell volume: 13277 Cell parameters: 26.546; 27.3516; 18.2899; 90; 91.178; 90; |
| COD ID: 4115961 | |
| CIF file | Formula: - C11 H13 Cl2 O3 P - Comments: Ron Hulst; Johanna M. Visser; Robert W. J. Zijlstra; Huub Kooijman; Wilberth Smeets; Anthony L. Spek; Ben L. Feringa Formation of Diphosphates. A NMR Study on the Mechanism and Stereochemistry of Diphosphate Formation from Chiral Dioxaphosphorinanes Journal of the American Chemical Society 122 (2000) 3135-3150 Space group: P 21 21 21 Cell volume: 1322.8 Cell parameters: 6.4383; 10.498; 19.571; 90; 90; 90; |
| COD ID: 4115962 | |
| CIF file | Formula: - C20 H25 O4 P - Comments: Ron Hulst; Johanna M. Visser; Robert W. J. Zijlstra; Huub Kooijman; Wilberth Smeets; Anthony L. Spek; Ben L. Feringa Formation of Diphosphates. A NMR Study on the Mechanism and Stereochemistry of Diphosphate Formation from Chiral Dioxaphosphorinanes Journal of the American Chemical Society 122 (2000) 3135-3150 Space group: P 21 21 21 Cell volume: 1911.9 Cell parameters: 6.4799; 17.165; 17.189; 90; 90; 90; |
| COD ID: 4115963 | |
| CIF file | Formula: - C19 H24 N O3 P - Comments: Ron Hulst; Johanna M. Visser; Robert W. J. Zijlstra; Huub Kooijman; Wilberth Smeets; Anthony L. Spek; Ben L. Feringa Formation of Diphosphates. A NMR Study on the Mechanism and Stereochemistry of Diphosphate Formation from Chiral Dioxaphosphorinanes Journal of the American Chemical Society 122 (2000) 3135-3150 Space group: P 31 Cell volume: 1457 Cell parameters: 12.417; 12.417; 10.912; 90; 90; 120; |
| COD ID: 4115964 | |
| CIF file | Formula: - C34 H40 Lu N Si3 - Comments: Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity Journal of the American Chemical Society 122 (2000) 3080-3096 Space group: P -1 Cell volume: 1629.1 Cell parameters: 11.6187; 12.1293; 13.932; 78.198; 67.611; 63.935; |
| COD ID: 4115965 | |
| CIF file | Formula: - C24 H44 La N Si3 - Comments: Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity Journal of the American Chemical Society 122 (2000) 3080-3096 Space group: P -1 Cell volume: 1380.4 Cell parameters: 9.529; 11.145; 13.573; 79.68; 83.26; 77.61; |
| COD ID: 4115966 | |
| CIF file | Formula: - C26 H36 N Si3 Y - Comments: Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity Journal of the American Chemical Society 122 (2000) 3080-3096 Space group: C 1 2/c 1 Cell volume: 2638.2 Cell parameters: 15.11; 11.731; 15.699; 90; 108.55; 90; |
| COD ID: 4115967 | |
| CIF file | Formula: - C26 H36 Lu N Si3 - Comments: Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity Journal of the American Chemical Society 122 (2000) 3080-3096 Space group: C 1 2/c 1 Cell volume: 2676.21 Cell parameters: 15.0153; 11.8938; 15.7695; 90; 108.145; 90; |
| COD ID: 4115968 | |
| CIF file | Formula: - C75 H88 N2 Si6 Y2 - Comments: Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity Journal of the American Chemical Society 122 (2000) 3080-3096 Space group: P -1 Cell volume: 1742.24 Cell parameters: 11.1193; 11.9449; 14.8399; 72.396; 75.824; 69.896; |
| COD ID: 4115969 | |
| CIF file | Formula: - C22 H28 Cl4 N4 O4 Pt - Comments: Gabriele Wagner; Armando J. L. Pombeiro; Vadim Yu. Kukushkin Platinum(IV)-Assisted [2 + 3] Cycloaddition of Nitrones to Coordinated Organonitriles. Synthesis of Δ4-1,2,4-Oxadiazolines Journal of the American Chemical Society 122 (2000) 3106-3111 Space group: P 1 21/a 1 Cell volume: 1348.7 Cell parameters: 12.601; 7.572; 14.497; 90; 102.83; 90; |
| COD ID: 4115970 | |
| CIF file | Formula: - C68 H48 Cl N O3 P4 Pd2 - Comments: Nicole L. Coalter; Thomas E. Concolino; William E. Streib; Chris G. Hughes; Arnold L. Rheingold; Jeffrey M. Zaleski Structure and Thermal Reactivity of a Novel Pd(0) Metalloenediyne Journal of the American Chemical Society 122 (2000) 3112-3117 Space group: P 1 21/c 1 Cell volume: 2970.35 Cell parameters: 11.4456; 18.5241; 14.3865; 90; 103.141; 90; |
| COD ID: 4115971 | |
| CIF file | Formula: - C42 H27 N - Comments: Andrzej Rajca; Andrej Safronov; Suchada Rajca; Jirawat Wongsriratanakul D2-Symmetric Dimer of 1,1'-Binaphthyl and Its Chiral π-Conjugated Carbodianion Journal of the American Chemical Society 122 (2000) 3351-3357 Space group: C 1 2 1 Cell volume: 1584.1 Cell parameters: 18.158; 9.0659; 9.6297; 90; 92.14; 90; |
| COD ID: 4115972 | |
| CIF file | Formula: - C28 H45 Eu N16 O13 - Comments: Myrtil L. Kahn; Jean-Pascal Sutter; Stéphane Golhen; Philippe Guionneau; Lahcène Ouahab; Olivier Kahn; Daniel Chasseau Systematic Investigation of the Nature of The Coupling between a Ln(III) Ion (Ln = Ce(III) to Dy(III)) and Its Aminoxyl Radical Ligands. Structural and Magnetic Characteristics of a Series of {Ln(organic radical)2} Compounds and the Related {Ln(Nitrone)2} Derivatives Journal of the American Chemical Society 122 (2000) 3413-3421 Space group: P 1 21/n 1 Cell volume: 4165 Cell parameters: 10.929; 15.212; 25.523; 90; 101.033; 90; |
| COD ID: 4115973 | |
| CIF file | Formula: - C18 H32 N11 O11 Pr - Comments: Myrtil L. Kahn; Jean-Pascal Sutter; Stéphane Golhen; Philippe Guionneau; Lahcène Ouahab; Olivier Kahn; Daniel Chasseau Systematic Investigation of the Nature of The Coupling between a Ln(III) Ion (Ln = Ce(III) to Dy(III)) and Its Aminoxyl Radical Ligands. Structural and Magnetic Characteristics of a Series of {Ln(organic radical)2} Compounds and the Related {Ln(Nitrone)2} Derivatives Journal of the American Chemical Society 122 (2000) 3413-3421 Space group: P 1 Cell volume: 1410.4 Cell parameters: 10.199; 10.63; 14.062; 82.49; 69.36; 83.35; |
| COD ID: 4115974 | |
| CIF file | Formula: - C18 H42 O Si6 - Comments: Yoshio Kabe; Kenichi Ohkubo; Hitomi Ishikawa; Wataru Ando 1,4-Disila(Dewar-benzene) and 1,4-Disilabenzene: Valence Isomerization of Bis(alkylsilacyclopropenyl)s Journal of the American Chemical Society 122 (2000) 3775-3776 Space group: P -1 Cell volume: 1422 Cell parameters: 10.1856; 12.0125; 13.0143; 103.671; 92.809; 111.622; |
| COD ID: 4115975 | |
| CIF file | Formula: - C18 H42 Si6 - Comments: Yoshio Kabe; Kenichi Ohkubo; Hitomi Ishikawa; Wataru Ando 1,4-Disila(Dewar-benzene) and 1,4-Disilabenzene: Valence Isomerization of Bis(alkylsilacyclopropenyl)s Journal of the American Chemical Society 122 (2000) 3775-3776 Space group: P 1 21/n 1 Cell volume: 2844.3 Cell parameters: 17.7265; 10.5224; 15.627; 90; 102.627; 90; |
| COD ID: 4115976 | |
| CIF file | Formula: - C15 H8 Fe3 N2 O9 P2 - Comments: Caryn C. Borg-Breen; Maria T. Bautista; Cynthia K. Schauer; Peter S. White Synthesis of the Bifunctional Phosphinidene Cluster, Fe3(CO)9(μ3-PH)2, and a Systematic Study of the Reactivity of the Cluster-Bound P-H Functional Group Journal of the American Chemical Society 122 (2000) 3952-3962 Space group: P 1 21/c 1 Cell volume: 2095.98 Cell parameters: 11.7382; 9.7384; 18.6132; 90; 99.906; 90; |
| COD ID: 4115977 | |
| CIF file | Formula: - C45 H30 Au2 Fe3 O9 P4 S2 - Comments: Caryn C. Borg-Breen; Maria T. Bautista; Cynthia K. Schauer; Peter S. White Synthesis of the Bifunctional Phosphinidene Cluster, Fe3(CO)9(μ3-PH)2, and a Systematic Study of the Reactivity of the Cluster-Bound P-H Functional Group Journal of the American Chemical Society 122 (2000) 3952-3962 Space group: C 1 c 1 Cell volume: 4907.4 Cell parameters: 16.8779; 14.4419; 21.1256; 90; 107.633; 90; |
| COD ID: 4115978 | |
| CIF file | Formula: - C54 H72 Fe2 P2 S6 Si6 - Comments: Jodi D. Niemoth-Anderson; Kerry A. (Fusie) Clark; T. Adrian George; Charles R. Ross Five-Coordinate Diamagnetic Iron(IV) Complexes With A Trigonal Planar Arrangement of Thiolate Ligand Atoms: Synthesis and Crystal Structure of [FeX(PS3)] (X = Cl, Br or I; PS3H3= [P(C'''6H3-3-Me3Si-2-SH)3]) Journal of the American Chemical Society 122 (2000) 3977-3978 Space group: P 1 21/n 1 Cell volume: 3106 Cell parameters: 12.986; 11.792; 20.659; 90; 100.896; 90; |
| COD ID: 4115979 | |
| CIF file | Formula: - C37.25 H46.25 Br Fe P S3 Si3 - Comments: Jodi D. Niemoth-Anderson; Kerry A. (Fusie) Clark; T. Adrian George; Charles R. Ross Five-Coordinate Diamagnetic Iron(IV) Complexes With A Trigonal Planar Arrangement of Thiolate Ligand Atoms: Synthesis and Crystal Structure of [FeX(PS3)] (X = Cl, Br or I; PS3H3= [P(C'''6H3-3-Me3Si-2-SH)3]) Journal of the American Chemical Society 122 (2000) 3977-3978 Space group: I -4 3 m Cell volume: 8771.13 Cell parameters: 20.623; 20.623; 20.623; 90; 90; 90; |
| COD ID: 4115980 | |
| CIF file | Formula: - C90 H96 Cl12 Fe2 I2 P2 S6 Si6 - Comments: Jodi D. Niemoth-Anderson; Kerry A. (Fusie) Clark; T. Adrian George; Charles R. Ross Five-Coordinate Diamagnetic Iron(IV) Complexes With A Trigonal Planar Arrangement of Thiolate Ligand Atoms: Synthesis and Crystal Structure of [FeX(PS3)] (X = Cl, Br or I; PS3H3= [P(C'''6H3-3-Me3Si-2-SH)3]) Journal of the American Chemical Society 122 (2000) 3977-3978 Space group: C 1 2/c 1 Cell volume: 10449 Cell parameters: 31.317; 16.919; 21.301; 90; 112.21; 90; |
| COD ID: 4115981 | |
| CIF file | Formula: - C27 H36 Cl Fe P S3 Si3 - Comments: Jodi D. Niemoth-Anderson; Kerry A. (Fusie) Clark; T. Adrian George; Charles R. Ross Five-Coordinate Diamagnetic Iron(IV) Complexes With A Trigonal Planar Arrangement of Thiolate Ligand Atoms: Synthesis and Crystal Structure of [FeX(PS3)] (X = Cl, Br or I; PS3H3= [P(C'''6H3-3-Me3Si-2-SH)3]) Journal of the American Chemical Society 122 (2000) 3977-3978 Space group: I -4 3 m Cell volume: 8578.6 Cell parameters: 20.471; 20.471; 20.471; 90; 90; 90; |
| COD ID: 4115982 | |
| CIF file | Formula: - C30 H27 F3 O3 Ru S - Comments: Aibing Xia; John P. Selegue; Alberto Carrillo; Carolyn P. Brock Stereochemical Inversion of a Coordinated, Curved Hydrocarbon: Syntheses and Structures of exo- and endo-[Ru(η6-fluoradene)(η-C5Me5)][CF3SO3] Journal of the American Chemical Society 122 (2000) 3973-3974 Space group: P n a 21 Cell volume: 2614.5 Cell parameters: 23.723; 7.1323; 15.452; 90; 90; 90; |
| COD ID: 4115983 | |
| CIF file | Formula: - C30 H27 F3 O3 Ru S - Comments: Aibing Xia; John P. Selegue; Alberto Carrillo; Carolyn P. Brock Stereochemical Inversion of a Coordinated, Curved Hydrocarbon: Syntheses and Structures of exo- and endo-[Ru(η6-fluoradene)(η-C5Me5)][CF3SO3] Journal of the American Chemical Society 122 (2000) 3973-3974 Space group: C 1 c 1 Cell volume: 2712 Cell parameters: 7.3776; 23.7473; 15.4796; 90; 90.17; 90; |
| COD ID: 4115984 | |
| CIF file | Formula: - C22.33 H12.78 Cd Cl0.67 N11 O6.5 - Comments: Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Martin Schröder Assembly of a Three-Dimensional Polyknotted Coordination Polymer Journal of the American Chemical Society 122 (2000) 4044-4046 Space group: C 1 2/c 1 Cell volume: 5565 Cell parameters: 19.46; 24.2; 13.81; 90; 121.17; 90; |
| COD ID: 4115985 | |
| CIF file | Formula: - C21.47 H12.88 Cd Cl0.5 N10.5 O5.83 - Comments: Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Martin Schröder Assembly of a Three-Dimensional Polyknotted Coordination Polymer Journal of the American Chemical Society 122 (2000) 4044-4046 Space group: C 1 2/c 1 Cell volume: 5543 Cell parameters: 19.835; 23.936; 13.841; 90; 122.48; 90; |
| COD ID: 4115986 | |
| CIF file | Formula: - C20 H17 Cd N11 O6.5 - Comments: Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Martin Schröder Assembly of a Three-Dimensional Polyknotted Coordination Polymer Journal of the American Chemical Society 122 (2000) 4044-4046 Space group: C 1 2/c 1 Cell volume: 5944 Cell parameters: 27.314; 15.701; 15.514; 90; 116.7; 90; |
| COD ID: 4115987 | |
| CIF file | Formula: - C32 H41 I O3.5 Yb - Comments: Gernot Heckmann; Mark Niemeyer Synthesis and First Structural Characterization of Lanthanide(II) Aryls: Observation of a Schlenk Equilibrium in Europium(II) and Ytterbium(II) Chemistry Journal of the American Chemical Society 122 (2000) 4227-4228 Space group: P 1 21/n 1 Cell volume: 3099 Cell parameters: 7.887; 11.114; 35.472; 90; 94.68; 90; |
| COD ID: 4115988 | |
| CIF file | Formula: - C48 H50 Eu O3 - Comments: Gernot Heckmann; Mark Niemeyer Synthesis and First Structural Characterization of Lanthanide(II) Aryls: Observation of a Schlenk Equilibrium in Europium(II) and Ytterbium(II) Chemistry Journal of the American Chemical Society 122 (2000) 4227-4228 Space group: P -1 Cell volume: 1931.2 Cell parameters: 9.607; 11.65; 19.47; 102.788; 91.34; 113.65; |
| COD ID: 4115989 | |
| CIF file | Formula: - C80 H160 Eu4 I8 O20 - Comments: Gernot Heckmann; Mark Niemeyer Synthesis and First Structural Characterization of Lanthanide(II) Aryls: Observation of a Schlenk Equilibrium in Europium(II) and Ytterbium(II) Chemistry Journal of the American Chemical Society 122 (2000) 4227-4228 Space group: P 1 21/n 1 Cell volume: 13524 Cell parameters: 23.163; 26.096; 23.981; 90; 111.093; 90; |
| COD ID: 4115990 | |
| CIF file | Formula: - C36 H51 N6 Nd O15 - Comments: Koen Binnemans; Yury G. Galyametdinov; Rik Van Deun; Duncan W. Bruce; Simon R. Collinson; Arkadiy P. Polishchuk; Ildar Bikchantaev; Wolfgang Haase; Andrey V. Prosvirin; Larisa Tinchurina; Igor Litvinov; Ajdar Gubajdullin; Ajdar Rakhmatullin; Koen Uytterhoeven; Luc Van Meervelt Rare-Earth-Containing Magnetic Liquid Crystals Journal of the American Chemical Society 122 (2000) 4335-4344 Space group: P -1 Cell volume: 2182.4 Cell parameters: 11.455; 13.859; 14.101; 98.5; 98.87; 92.52; |
| COD ID: 4115991 | |
| CIF file | Formula: - C36 H51 Dy N6 O15 - Comments: Koen Binnemans; Yury G. Galyametdinov; Rik Van Deun; Duncan W. Bruce; Simon R. Collinson; Arkadiy P. Polishchuk; Ildar Bikchantaev; Wolfgang Haase; Andrey V. Prosvirin; Larisa Tinchurina; Igor Litvinov; Ajdar Gubajdullin; Ajdar Rakhmatullin; Koen Uytterhoeven; Luc Van Meervelt Rare-Earth-Containing Magnetic Liquid Crystals Journal of the American Chemical Society 122 (2000) 4335-4344 Space group: P -1 Cell volume: 2150.8 Cell parameters: 11.38; 13.8; 14.03; 98.7; 98.15; 92.67; |
| COD ID: 4115992 | |
| CIF file | Formula: - C15 H24 N3 O11 P3 - Comments: C. V. Krishnamohan Sharma; Abraham Clearfield Three-Dimensional Hexagonal Structures from a Novel Self-Complementary Molecular Building Block Journal of the American Chemical Society 122 (2000) 4394-4402 Space group: P -1 Cell volume: 1067.5 Cell parameters: 7.1731; 11.566; 13.807; 70.627; 84.071; 81.72; |
| COD ID: 4115993 | |
| CIF file | Formula: - C15 H20 N3 O9 P3 - Comments: C. V. Krishnamohan Sharma; Abraham Clearfield Three-Dimensional Hexagonal Structures from a Novel Self-Complementary Molecular Building Block Journal of the American Chemical Society 122 (2000) 4394-4402 Space group: P -1 Cell volume: 957.95 Cell parameters: 8.1519; 11.255; 11.3742; 72.239; 74.563; 85.809; |
| COD ID: 4115994 | |
| CIF file | Formula: - C27 H34 N5 O12 P3 - Comments: C. V. Krishnamohan Sharma; Abraham Clearfield Three-Dimensional Hexagonal Structures from a Novel Self-Complementary Molecular Building Block Journal of the American Chemical Society 122 (2000) 4394-4402 Space group: P -1 Cell volume: 1498.22 Cell parameters: 7.4491; 13.7121; 15.1279; 86.543; 89.146; 76.255; |
| COD ID: 4115995 | |
| CIF file | Formula: - C28 H28 Cl2 N O P2 Tc - Comments: Cristina Bolzati; Alessandra Boschi; Adriano Duatti; Sushumna Prakash; Licia Uccelli; Fiorenzo Refosco; Francesco Tisato; Giuliano Bandoli Geometrically Controlled Selective Formation of Nitrido Technetium(V) Asymmetrical Heterocomplexes with Bidentate Ligands Journal of the American Chemical Society 122 (2000) 4510-4511 Space group: P b c a Cell volume: 5502 Cell parameters: 20.049; 13.635; 20.125; 90; 90; 90; |
| COD ID: 4115996 | |
| CIF file | Formula: - C10 H24 Cl2 Fe N5 O5 - Comments: Christina Hauser; Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt The Electronic Structures of an Isostructural Series of Octahedral Nitrosyliron Complexes {Fe-NO}6,7,8 Elucidated by Mössbauer Spectroscopy Journal of the American Chemical Society 122 (2000) 4352-4365 Space group: P b c a Cell volume: 3345.3 Cell parameters: 13.01; 10.853; 23.692; 90; 90; 90; |
| COD ID: 4115997 | |
| CIF file | Formula: - C6 H15 Cl Fe N6 O9 - Comments: Christina Hauser; Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt The Electronic Structures of an Isostructural Series of Octahedral Nitrosyliron Complexes {Fe-NO}6,7,8 Elucidated by Mössbauer Spectroscopy Journal of the American Chemical Society 122 (2000) 4352-4365 Space group: P 1 n 1 Cell volume: 1389.2 Cell parameters: 13.45; 8.1261; 13.478; 90; 109.43; 90; |
| COD ID: 4115998 | |
| CIF file | Formula: - C31 H40 O6 - Comments: Yoshihiko Yamamoto; Hideaki Kitahara; Ryuji Ogawa; Hiroyuki Kawaguchi; Kazuyuki Tatsumi; Kenji Itoh Ru(II)-Catalyzed Cycloadditions of 1,6-Heptadiynes with Alkenes: New Synthetic Potential of Ruthenacyclopentatrienes as Biscarbenoids in Tandem Cyclopropanation of Bicycloalkenes and Heteroatom-Assisted Cyclocotrimerization of 1,6-Heptadiynes with Heterocyclic Alkenes Journal of the American Chemical Society 122 (2000) 4310-4319 Space group: P 1 21 1 Cell volume: 2741.8 Cell parameters: 11.986; 11.9379; 19.3898; 90; 98.802; 90; |
| COD ID: 4115999 | |
| CIF file | Formula: - C19 H20 O8 - Comments: Yoshihiko Yamamoto; Hideaki Kitahara; Ryuji Ogawa; Hiroyuki Kawaguchi; Kazuyuki Tatsumi; Kenji Itoh Ru(II)-Catalyzed Cycloadditions of 1,6-Heptadiynes with Alkenes: New Synthetic Potential of Ruthenacyclopentatrienes as Biscarbenoids in Tandem Cyclopropanation of Bicycloalkenes and Heteroatom-Assisted Cyclocotrimerization of 1,6-Heptadiynes with Heterocyclic Alkenes Journal of the American Chemical Society 122 (2000) 4310-4319 Space group: P 1 21 1 Cell volume: 875.54 Cell parameters: 7.912; 16.578; 7.7275; 90; 120.253; 90; |
| COD ID: 4116000 | |
| CIF file | Formula: - C2 H6 F3 N O Si - Comments: Norbert W. Mitzel; Udo Losehand; Anan Wu; Dieter Cremer; David W. H. Rankin (N,N-Dimethylaminoxy)trifluorosilane: Strong, Dipole Moment Driven Changes in the Molecular Geometry Studied by Experiment and Theory in Solid, Gas, and Solution Phases Journal of the American Chemical Society 122 (2000) 4471-4482 Space group: P 1 21/n 1 Cell volume: 589.21 Cell parameters: 5.8709; 9.8771; 10.491; 90; 104.408; 90; |
| COD ID: 4116001 | |
| CIF file | Formula: - C240 H338 Cl12 N72 Ni6 O37 S24 - Comments: Maochun Hong; Yingjun Zhao; Weiping Su; Rong Cao; Makoto Fujita; Zhongyuan Zhou; Albert S. C. Chan A Nanometer-Sized Metallosupramolecular Cube with Oh Symmetry Journal of the American Chemical Society 122 (2000) 4819-4820 Space group: P n -3 n :2 Cell volume: 15118.5 Cell parameters: 24.7269; 24.7269; 24.7269; 90; 90; 90; |
| COD ID: 4116002 | |
| CIF file | Formula: - C45 H80 Si7 - Comments: Ken Hatano; Norihiro Tokitoh; Nozomi Takagi; Shigeru Nagase The First Stable Heteracyclopropabenzene: Synthesis and Crystal Structure of a Silacyclopropabenzene Journal of the American Chemical Society 122 (2000) 4829-4830 Space group: P -1 Cell volume: 2529.94 Cell parameters: 11.9775; 22.9899; 9.9059; 95.675; 107.604; 76.798; |
| COD ID: 4116003 | |
| CIF file | Formula: - C44 H58 Br2 O9 - Comments: Zhaoming Xiong; E. J. Corey Simple Total Synthesis of the Pentacyclic Cs-Symmetric Structure Attributed to the Squalenoid Glabrescol and Three Cs-Symmetric Diastereomers Compel Structural Revision Journal of the American Chemical Society 122 (2000) 4831-4832 Space group: P 1 21/c 1 Cell volume: 4333 Cell parameters: 15.703; 6.639; 42.24; 90; 100.25; 90; |
| COD ID: 4116004 | |
| CIF file | Formula: - C36 H44 Fe N5 O - Comments: W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives Journal of the American Chemical Society 122 (2000) 4651-4659 Space group: P 1 21/c 1 Cell volume: 3133.2 Cell parameters: 14.95; 22.361; 9.6966; 90; 104.854; 90; |
| COD ID: 4116005 | |
| CIF file | Formula: - C36 H44 Fe N5 O - Comments: W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives Journal of the American Chemical Society 122 (2000) 4651-4659 Space group: P -1 Cell volume: 1498.1 Cell parameters: 10.4204; 10.5562; 14.0425; 79.83; 89.585; 80.264; |
| COD ID: 4116006 | |
| CIF file | Formula: - C37 H45 Cl3 Fe N5 O2 - Comments: W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives Journal of the American Chemical Society 122 (2000) 4651-4659 Space group: P -1 Cell volume: 1830.4 Cell parameters: 8.8435; 14.1716; 15.6651; 69.946; 83.063; 86.647; |
| COD ID: 4116007 | |
| CIF file | Formula: - C45.5 H24 Br4 Cl4.5 Fe N5 O - Comments: W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives Journal of the American Chemical Society 122 (2000) 4651-4659 Space group: P 1 21/m 1 Cell volume: 4295.2 Cell parameters: 16.75; 15.293; 17.608; 90; 107.77; 90; |
| COD ID: 4116008 | |
| CIF file | Formula: - C44 H24 Br4 Fe N5 O - Comments: W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives Journal of the American Chemical Society 122 (2000) 4651-4659 Space group: I 1 2/a 1 Cell volume: 3607.6 Cell parameters: 17.623; 10.522; 19.457; 90; 90.78; 90; |
| COD ID: 4116009 | |
| CIF file | Formula: - C45 H38 B11 Cl6 Fe N4 O2 - Comments: Daniel R. Evans; Christopher A. Reed Reversal of H2O and OH-Ligand Field Strength on the Magnetochemical Series Relative to the Spectrochemical Series. Novel 1-equiv Water Chemistry of Iron(III) Tetraphenylporphyrin Complexes Journal of the American Chemical Society 122 (2000) 4660-4667 Space group: P -1 Cell volume: 2431 Cell parameters: 13.7989; 13.8385; 13.959; 103.581; 97.433; 106.352; |
| COD ID: 4116010 | |
| CIF file | Formula: - C45 H34 B11 Br6 Fe N4 - Comments: Daniel R. Evans; Christopher A. Reed Reversal of H2O and OH-Ligand Field Strength on the Magnetochemical Series Relative to the Spectrochemical Series. Novel 1-equiv Water Chemistry of Iron(III) Tetraphenylporphyrin Complexes Journal of the American Chemical Society 122 (2000) 4660-4667 Space group: P 1 21/n 1 Cell volume: 4827 Cell parameters: 12.378; 16.097; 24.458; 90; 97.94; 90; |
| COD ID: 4116011 | |
| CIF file | Formula: - C35 H34 F6 S2 - Comments: Masahiro Irie; Thorsten Lifka; Seiya Kobatake; Nobuo Kato Photochromism of 1,2-Bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase Journal of the American Chemical Society 122 (2000) 4871-4876 Space group: P 1 21/n 1 Cell volume: 3299.1 Cell parameters: 14.9525; 14.1601; 16.0276; 90; 103.55; 90; |
| COD ID: 4116012 | |
| CIF file | Formula: - C27 H18 F6 S2 - Comments: Masahiro Irie; Thorsten Lifka; Seiya Kobatake; Nobuo Kato Photochromism of 1,2-Bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase Journal of the American Chemical Society 122 (2000) 4871-4876 Space group: P 1 21/c 1 Cell volume: 4760 Cell parameters: 18.786; 11.7616; 21.675; 90; 96.323; 90; |
| COD ID: 4116013 | |
| CIF file | Formula: - C27 H18 F6 S2 - Comments: Masahiro Irie; Thorsten Lifka; Seiya Kobatake; Nobuo Kato Photochromism of 1,2-Bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase Journal of the American Chemical Society 122 (2000) 4871-4876 Space group: P -1 Cell volume: 1173.7 Cell parameters: 11.77; 12.023; 9.626; 94.45; 95.89; 60.07; |
| COD ID: 4116014 | |
| CIF file | Formula: - C29 H22 F6 S2 - Comments: Masahiro Irie; Thorsten Lifka; Seiya Kobatake; Nobuo Kato Photochromism of 1,2-Bis(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene in a Single-Crystalline Phase Journal of the American Chemical Society 122 (2000) 4871-4876 Space group: C 1 2/c 1 Cell volume: 2511.7 Cell parameters: 25.978; 9.2508; 10.7141; 90; 102.708; 90; |
| COD ID: 4116015 | |
| CIF file | Formula: - C96 H78 Cl2 F3 Fe2 N2 O11 S - Comments: Dongwhan Lee; Carsten Krebs; Boi Hanh Huynh; Michael P. Hendrich; Stephen J. Lippard Valence-Delocalized Diiron(II,III) Cores Supported by Carboxylate-Only Bridging Ligands Journal of the American Chemical Society 122 (2000) 5000-5001 Space group: P -1 Cell volume: 4067 Cell parameters: 14.639; 14.886; 19.796; 87.55; 70.66; 89.361; |
| COD ID: 4116016 | |
| CIF file | Formula: - C110 H91 Cl3 F6 Fe2 O10 P - Comments: Dongwhan Lee; Carsten Krebs; Boi Hanh Huynh; Michael P. Hendrich; Stephen J. Lippard Valence-Delocalized Diiron(II,III) Cores Supported by Carboxylate-Only Bridging Ligands Journal of the American Chemical Society 122 (2000) 5000-5001 Space group: P -1 Cell volume: 4747 Cell parameters: 15.454; 17.759; 19.679; 69.225; 81.798; 70.115; |
| COD ID: 4116017 | |
| CIF file | Formula: - C27 H18 Al N3 O3 - Comments: Martin Brinkmann; Gregory Gadret; Michele Muccini; Carlo Taliani; Norberto Masciocchi; Angelo Sironi Correlation between Molecular Packing and Optical Properties in Different Crystalline Polymorphs and Amorphous Thin Films of mer-Tris(8-hydroxyquinoline)aluminum(III) Journal of the American Chemical Society 122 (2000) 5147-5157 Space group: P -1 Cell volume: 1071.78 Cell parameters: 8.4433; 10.2522; 13.1711; 108.578; 97.064; 89.743; |
| COD ID: 4116018 | |
| CIF file | Formula: - C10 H14 Cl3 N O Pt S - Comments: Larissa Alexandrova; Oleg G. D'yachenko; Grigory M. Kazankov; Vladimir A. Polyakov; Pavel V. Samuleev; Enrique Sansores; Alexander D. Ryabov Mechanism of Biologically Relevant Deoxygenation of Dimethyl Sulfoxide Coupled with Pt(II) to Pt(IV) Oxidation of Orthoplatinated Oximes. Synthetic, Kinetic, Electrochemical, X-ray Structural, and Density Functional Study Journal of the American Chemical Society 122 (2000) 5189-5200 Space group: P -1 Cell volume: 718.11 Cell parameters: 7.1808; 8.317; 12.725; 93.87; 98.78; 105.75; |
| COD ID: 4116019 | |
| CIF file | Formula: - C80 H86 N4 O17 - Comments: Yukitami Mizuno; Takuzo Aida; Kentaro Yamaguchi Chirality-Memory Molecule: Crystallographic and Spectroscopic Studies on Dynamic Molecular Recognition Events by Fully Substituted Chiral Porphyrins Journal of the American Chemical Society 122 (2000) 5278-5285 Space group: P -1 Cell volume: 3638.8 Cell parameters: 13.888; 15.866; 17.869; 77.632; 73.91; 77.116; |
| COD ID: 4116020 | |
| CIF file | Formula: - C30 H49 F3 N3 O3 P S - Comments: Neil Burford; T. Stanley Cameron; Daren J. LeBlanc; Andrew D. Phillips; Thomas E. Concolino; Kin-Chung Lam; Arnold L. Rheingold Iminophosphide Bonding Environments from Carbene Complexes of Iminophosphines Journal of the American Chemical Society 122 (2000) 5413-5414 Space group: P b c a Cell volume: 6908.6 Cell parameters: 10.6688; 15.2337; 42.5078; 90; 90; 90; |
| COD ID: 4116021 | |
| CIF file | Formula: - C29 H49 Cl N3 P - Comments: Neil Burford; T. Stanley Cameron; Daren J. LeBlanc; Andrew D. Phillips; Thomas E. Concolino; Kin-Chung Lam; Arnold L. Rheingold Iminophosphide Bonding Environments from Carbene Complexes of Iminophosphines Journal of the American Chemical Society 122 (2000) 5413-5414 Space group: P 1 21/c 1 Cell volume: 3097.91 Cell parameters: 21.8062; 8.5184; 17.8511; 90; 110.892; 90; |
| COD ID: 4116022 | |
| CIF file | Formula: - C36 H80 P4 Ru2 Si - Comments: Isabelle Atheaux; Bruno Donnadieu; V. Rodriguez; Sylviane Sabo-Etienne; Bruno Chaudret; Khansaa Hussein; Jean-Claude Barthelat A Unique Coordination of SiH4: Isolation, Characterization, and Theoretical Study of (PR3)2H2Ru(SiH4)RuH2(PR3)2 Journal of the American Chemical Society 122 (2000) 5664-5665 Space group: C 1 2/c 1 Cell volume: 4682.8 Cell parameters: 19.588; 12.1805; 19.823; 90.025; 98.066; 89.96; |
| COD ID: 4116023 | |
| CIF file | Formula: - C24 H25 N O - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: P 21 21 21 Cell volume: 3812.5 Cell parameters: 10.0439; 10.7647; 35.262; 90; 90; 90; |
| COD ID: 4116024 | |
| CIF file | Formula: - C24 H24 F N O - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: P 21 21 21 Cell volume: 3924.7 Cell parameters: 10.0869; 10.8633; 35.817; 90; 90; 90; |
| COD ID: 4116025 | |
| CIF file | Formula: - C26 H29 N O3 - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: P 1 21 1 Cell volume: 1083.36 Cell parameters: 9.4192; 10.1201; 11.8636; 90; 106.668; 90; |
| COD ID: 4116026 | |
| CIF file | Formula: - C26 H34 N O3 - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: P 1 21 1 Cell volume: 1122.52 Cell parameters: 9.4494; 9.702; 13.061; 90; 110.371; 90; |
| COD ID: 4116027 | |
| CIF file | Formula: - C23 H30.67 N O3 - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: P 21 21 21 Cell volume: 6133.1 Cell parameters: 8.4546; 22.244; 32.612; 90; 90; 90; |
| COD ID: 4116028 | |
| CIF file | Formula: - C26 H23 N O - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: P 21 21 21 Cell volume: 1992.6 Cell parameters: 9.9023; 10.6217; 18.945; 90; 90; 90; |
| COD ID: 4116029 | |
| CIF file | Formula: - C28 H26 N O - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: P 21 21 21 Cell volume: 2144.7 Cell parameters: 10.3574; 10.6801; 19.388; 90; 90; 90; |
| COD ID: 4116030 | |
| CIF file | Formula: - C24 H25 N O - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: P 1 21 1 Cell volume: 1926.85 Cell parameters: 10.0281; 11.4783; 16.8217; 90; 95.653; 90; |
| COD ID: 4116031 | |
| CIF file | Formula: - C24 H23 Cl2 N O - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: C 1 2 1 Cell volume: 2142 Cell parameters: 17.988; 7.0987; 17.823; 90; 109.749; 90; |
| COD ID: 4116032 | |
| CIF file | Formula: - C26 H29 N O3 - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: P 1 21 1 Cell volume: 1082.97 Cell parameters: 10.23; 9.0097; 12.3888; 90; 108.482; 90; |
| COD ID: 4116033 | |
| CIF file | Formula: - C25 H27 N O3 - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: P 21 21 21 Cell volume: 2040.6 Cell parameters: 8.3269; 8.4131; 29.128; 90; 90; 90; |
| COD ID: 4116034 | |
| CIF file | Formula: - C21 H27 N O3 - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: P 1 21 1 Cell volume: 935.94 Cell parameters: 8.4524; 8.0786; 13.8705; 90; 98.816; 90; |
| COD ID: 4116035 | |
| CIF file | Formula: - C22 H23 N O S - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: P 1 21 1 Cell volume: 2791.6 Cell parameters: 10.555; 10.119; 26.478; 90; 99.201; 90; |
| COD ID: 4116036 | |
| CIF file | Formula: - C22 H23 N O S - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: P 21 21 21 Cell volume: 3688.7 Cell parameters: 10.0585; 10.4847; 34.977; 90; 90; 90; |
| COD ID: 4116037 | |
| CIF file | Formula: - C26 H24 Cl N O S - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: P 1 21 1 Cell volume: 1115.63 Cell parameters: 5.2688; 21.7645; 9.7497; 90; 93.748; 90; |
| COD ID: 4116038 | |
| CIF file | Formula: - C26 H29 Hg N O3 - Comments: David R. Spring; Shyam Krishnan; Stuart L. Schreiber Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings Journal of the American Chemical Society 122 (2000) 5656-5657 Space group: P 1 Cell volume: 572.06 Cell parameters: 5.2543; 10.236; 11.3852; 71.562; 87.505; 80.018; |
| COD ID: 4116039 | |
| CIF file | Formula: - C18 H30 Cl2 Fe N12 O8 - Comments: Justine P. Roth; Scott Lovell; James M. Mayer Intrinsic Barriers for Electron and Hydrogen Atom Transfer Reactions of Biomimetic Iron Complexes Journal of the American Chemical Society 122 (2000) 5486-5498 Space group: C 1 2/c 1 Cell volume: 2772.68 Cell parameters: 13.3079; 13.5922; 16.1716; 90; 108.582; 90; |
| COD ID: 4116040 | |
| CIF file | Formula: - C18 H29 Cl2 Fe N12 O8 - Comments: Justine P. Roth; Scott Lovell; James M. Mayer Intrinsic Barriers for Electron and Hydrogen Atom Transfer Reactions of Biomimetic Iron Complexes Journal of the American Chemical Society 122 (2000) 5486-5498 Space group: P c a 21 Cell volume: 2786.91 Cell parameters: 13.214; 13.407; 15.731; 90; 90; 90; |
| COD ID: 4116041 | |
| CIF file | Formula: - C18 H30 Cl3 Fe N12 O12 - Comments: Justine P. Roth; Scott Lovell; James M. Mayer Intrinsic Barriers for Electron and Hydrogen Atom Transfer Reactions of Biomimetic Iron Complexes Journal of the American Chemical Society 122 (2000) 5486-5498 Space group: P 1 21/c 1 Cell volume: 3119.7 Cell parameters: 17.5362; 14.1422; 12.58; 90; 90.45; 90; |
| COD ID: 4116042 | |
| CIF file | Formula: - C36 H64 B10 Dy Na O5 - Comments: Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand Journal of the American Chemical Society 122 (2000) 5758-5764 Space group: P 1 21/n 1 Cell volume: 4416.8 Cell parameters: 16.315; 14.444; 19.452; 90; 105.52; 90; |
| COD ID: 4116043 | |
| CIF file | Formula: - C72 H128 B20 Na2 O10 Y2 - Comments: Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand Journal of the American Chemical Society 122 (2000) 5758-5764 Space group: P 1 21/n 1 Cell volume: 4395.1 Cell parameters: 16.354; 14.331; 19.469; 90; 105.59; 90; |
| COD ID: 4116044 | |
| CIF file | Formula: - C36 H64 B10 Er Na O5 - Comments: Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand Journal of the American Chemical Society 122 (2000) 5758-5764 Space group: P 1 21/n 1 Cell volume: 4416.8 Cell parameters: 16.315; 14.444; 19.452; 90; 105.52; 90; |
| COD ID: 4116045 | |
| CIF file | Formula: - C56 H108 B20 Er2 Na2 O12 - Comments: Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand Journal of the American Chemical Society 122 (2000) 5758-5764 Space group: P -1 Cell volume: 2051.6 Cell parameters: 9.5966; 14.867; 16.246; 114.37; 102.23; 90.44; |
| COD ID: 4116046 | |
| CIF file | Formula: - C36 H64 B10 Li O5 Y - Comments: Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand Journal of the American Chemical Society 122 (2000) 5758-5764 Space group: P 1 21/n 1 Cell volume: 4287.7 Cell parameters: 16.724; 14.249; 18.53; 90; 103.83; 90; |
| COD ID: 4116047 | |
| CIF file | Formula: - C36 H64 B10 Er Li O5 - Comments: Kwoli Chui; Qingchuan Yang; Thomas C. W. Mak; Wai Han Lam; Zhenyang Lin; Zuowei Xie Synthesis, Structure, and Bonding of d0/fn Metallacarboranes Incorporating the η7-Carboranyl Ligand Journal of the American Chemical Society 122 (2000) 5758-5764 Space group: P 1 21/n 1 Cell volume: 4272 Cell parameters: 16.742; 14.225; 18.483; 90; 103.95; 90; |
| COD ID: 4116048 | |
| CIF file | Formula: - C16 H20 B Fe N - Comments: Andrea Berenbaum; Holger Braunschweig; Regina Dirk; Ulli Englert; Jennifer C. Green; Frieder Jäkle; Alan J. Lough; Ian Manners Synthesis, Electronic Structure, and Novel Reactivity of Strained, Boron-Bridged [1]Ferrocenophanes Journal of the American Chemical Society 122 (2000) 5765-5774 Space group: P -1 Cell volume: 1432.45 Cell parameters: 6.0733; 13.5299; 17.704; 84.051; 87.394; 82.095; |
| COD ID: 4116049 | |
| CIF file | Formula: - C35 H44 Cl3 Cu2 N11 O15 - Comments: Hideki Ohtsu; Yuichi Shimazaki; Akira Odani; Osamu Yamauchi; Wasuke Mori; Shinobu Itoh; Shunichi Fukuzumi Synthesis and Characterization of Imidazolate-Bridged Dinuclear Complexes as Active Site Models of Cu,Zn-SOD Journal of the American Chemical Society 122 (2000) 5733-5741 Space group: P -1 Cell volume: 2331.1 Cell parameters: 14.475; 14.554; 12.27; 108.474; 107.348; 89.14; |
| COD ID: 4116050 | |
| CIF file | Formula: - C33 H49 Cl3 Cu2 N8 O18 - Comments: Hideki Ohtsu; Yuichi Shimazaki; Akira Odani; Osamu Yamauchi; Wasuke Mori; Shinobu Itoh; Shunichi Fukuzumi Synthesis and Characterization of Imidazolate-Bridged Dinuclear Complexes as Active Site Models of Cu,Zn-SOD Journal of the American Chemical Society 122 (2000) 5733-5741 Space group: P 1 21/n 1 Cell volume: 4495.8 Cell parameters: 9.843; 18.361; 25.111; 90; 97.84; 90; |
| COD ID: 4116051 | |
| CIF file | Formula: - C21 H25 Cl2 Cu N7 O8 - Comments: Hideki Ohtsu; Yuichi Shimazaki; Akira Odani; Osamu Yamauchi; Wasuke Mori; Shinobu Itoh; Shunichi Fukuzumi Synthesis and Characterization of Imidazolate-Bridged Dinuclear Complexes as Active Site Models of Cu,Zn-SOD Journal of the American Chemical Society 122 (2000) 5733-5741 Space group: P 1 21/n 1 Cell volume: 5705 Cell parameters: 14.861; 10.784; 35.597; 90; 90.57; 90; |
| COD ID: 4116052 | |
| CIF file | Formula: - C26 H16 Fe N6 S2 - Comments: Jey-Jau Lee; Hwo-shuenn Sheu; Chi-Rung Lee; Jin-Ming Chen; Jyh-Fu Lee; Chih-Chieh Wang; Chun-Hsun Huang; Yu Wang X-ray Absorption Spectroscopic Studies on Light-Induced Excited Spin State Trapping of an Fe(II) Complex Journal of the American Chemical Society 122 (2000) 5742-5747 Space group: P b c n Cell volume: 2111.6 Cell parameters: 12.51; 9.959; 16.949; 90; 90; 90; |
| COD ID: 4116053 | |
| CIF file | Formula: - C6 H15 Ge N2 O12 P3 Zn - Comments: Jianmin Li; Yanxiong Ke; Yugen Zhang; Gaofei He; Zheng Jiang; Masayoshi Nishiura; Tsuneo Imamoto ((DABCO).ZnGe(HPO4)3: The First Zinco-Germanophosphate with a Unique Asymmetric Cage Journal of the American Chemical Society 122 (2000) 6110-6111 Space group: P -1 Cell volume: 786.2 Cell parameters: 9.982; 10; 9.576; 97.96; 114.87; 107.67; |
| COD ID: 4116054 | |
| CIF file | Formula: - C25 H24 N2 O5 - Comments: Silvia Vivanco; Begoña Lecea; Ana Arrieta; Pilar Prieto; Iñaki Morao; Anthony Linden; Fernando P. Cossío Origins of the Loss of Concertedness in Pericyclic Reactions: Theoretical Prediction and Direct Observation of Stepwise Mechanisms in [3 + 2] Thermal Cycloadditions Journal of the American Chemical Society 122 (2000) 6078-6092 Space group: P 21 21 21 Cell volume: 2160.7 Cell parameters: 10.797; 22.824; 8.768; 90; 90; 90; |
| COD ID: 4116055 | |
| CIF file | Formula: - C14 H18 N2 O6 - Comments: Silvia Vivanco; Begoña Lecea; Ana Arrieta; Pilar Prieto; Iñaki Morao; Anthony Linden; Fernando P. Cossío Origins of the Loss of Concertedness in Pericyclic Reactions: Theoretical Prediction and Direct Observation of Stepwise Mechanisms in [3 + 2] Thermal Cycloadditions Journal of the American Chemical Society 122 (2000) 6078-6092 Space group: P 1 21/c 1 Cell volume: 1531.4 Cell parameters: 10.6; 15.514; 10.014; 90; 111.58; 90; |
| COD ID: 4116056 | |
| CIF file | Formula: - C176 H220 Cl4 N14 O32 Zn2 - Comments: Olivier Sénèque; Marie-Noëlle Rager; Michel Giorgi; Olivia Reinaud Calix[6]arenes and Zinc: Biomimetic Receptors for Neutral Molecules Journal of the American Chemical Society 122 (2000) 6183-6189 Space group: P -1 Cell volume: 9901.9 Cell parameters: 18.2411; 22.9074; 24.7429; 90.442; 77.707; 78.95; |
| COD ID: 4116057 | |
| CIF file | Formula: - C97 H134 Cl2 N10 O14 Zn - Comments: Olivier Sénèque; Marie-Noëlle Rager; Michel Giorgi; Olivia Reinaud Calix[6]arenes and Zinc: Biomimetic Receptors for Neutral Molecules Journal of the American Chemical Society 122 (2000) 6183-6189 Space group: P -1 Cell volume: 4905.3 Cell parameters: 14.5244; 15.819; 23.3483; 90.34; 104.163; 108.724; |
| COD ID: 4116058 | |
| CIF file | Formula: - C30.5 H32.5 Cl F3 N O5 Pt S - Comments: James A. Johnson; Dalibor Sames C-H Bond Activation of Hydrocarbon Segments in Complex Organic Molecules: Total Synthesis of the Antimitotic Rhazinilam Journal of the American Chemical Society 122 (2000) 6321-6322 Space group: P 1 21 1 Cell volume: 3013.4 Cell parameters: 12.5434; 18.0749; 14.1236; 90; 109.767; 90; |
| COD ID: 4116059 | |
| CIF file | Formula: - C22 H14 Cu2 N2 O6 - Comments: Samuel M-F. Lo; Stephen S-Y. Chui; Lai-Yung Shek; Zhenyang Lin; Xi Xiang Zhang; Ge-hei Wen; Ian D. Williams Solvothermal Synthesis of a Stable Coordination Polymer with Copper-I-Copper-II Dimer Units: [Cu4{1,4-C6H4(COO)2}3(4,4'-bipy)2]n Journal of the American Chemical Society 122 (2000) 6293-6294 Space group: P -1 Cell volume: 1020.2 Cell parameters: 10.024; 10.22; 10.727; 74.42; 74.58; 84.77; |
| COD ID: 4116060 | |
| CIF file | Formula: - C42 H36 Cl6 Co3 N12 - Comments: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State Journal of the American Chemical Society 122 (2000) 6226-6236 Space group: I -4 Cell volume: 8918 Cell parameters: 27.004; 27.004; 12.23; 90; 90; 90; |
| COD ID: 4116061 | |
| CIF file | Formula: - C41 H34 Cl4 Co3 N12 - Comments: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State Journal of the American Chemical Society 122 (2000) 6226-6236 Space group: P n n 2 Cell volume: 2034.41 Cell parameters: 12.9014; 14.0313; 11.2384; 90; 90; 90; |
| COD ID: 4116062 | |
| CIF file | Formula: - C41 H34 Cl4 Co3 N12 - Comments: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State Journal of the American Chemical Society 122 (2000) 6226-6236 Space group: P 1 n 1 Cell volume: 1982 Cell parameters: 11.176; 13.92; 12.74; 90; 90.056; 90; |
| COD ID: 4116063 | |
| CIF file | Formula: - C42 H36 Cl6 Co3 N12 - Comments: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State Journal of the American Chemical Society 122 (2000) 6226-6236 Space group: I -4 Cell volume: 9233 Cell parameters: 27.378; 27.378; 12.318; 90; 90; 90; |
| COD ID: 4116064 | |
| CIF file | Formula: - C42 H36 Cl6 Co3 N12 - Comments: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State Journal of the American Chemical Society 122 (2000) 6226-6236 Space group: I -4 Cell volume: 9096.6 Cell parameters: 27.2558; 27.2558; 12.2451; 90; 90; 90; |
| COD ID: 4116065 | |
| CIF file | Formula: - C42 H36 Cl6 Co3 N12 - Comments: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State Journal of the American Chemical Society 122 (2000) 6226-6236 Space group: I -4 Cell volume: 9040.4 Cell parameters: 27.189; 27.189; 12.2293; 90; 90; 90; |
| COD ID: 4116066 | |
| CIF file | Formula: - C42 H36 Cl6 Co3 N12 - Comments: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Kristin Kirschbaum; Carlos A. Murillo; A. Alan Pinkerton; Arthur J. Schultz; Xiaoping Wang Linear Tricobalt Compounds with Di(2-pyridyl)amide (dpa) Ligands: Temperature Dependence of the Structural and Magnetic Properties of Symmetrical and Unsymmetrical Forms of Co3(dpa)4Cl2 in the Solid State Journal of the American Chemical Society 122 (2000) 6226-6236 Space group: I -4 Cell volume: 8985.2 Cell parameters: 27.128; 27.128; 12.2094; 90; 90; 90; |
| COD ID: 4116067 | |
| CIF file | Formula: - C27 H43 B Br O2 P - Comments: Tsuneo Imamoto; Hideaki Morishita An Enantiomerically Pure Tetracoordinate Boron Compound: Stereochemistry of Substitution Reactions at the Chirogenic Boron Atom Journal of the American Chemical Society 122 (2000) 6329-6330 Space group: P 21 21 21 Cell volume: 2855.1 Cell parameters: 13.477; 21.479; 9.863; 90; 90; 90; |
| COD ID: 4116068 | |
| CIF file | Formula: - C20 H37 B Br O2 P - Comments: Tsuneo Imamoto; Hideaki Morishita An Enantiomerically Pure Tetracoordinate Boron Compound: Stereochemistry of Substitution Reactions at the Chirogenic Boron Atom Journal of the American Chemical Society 122 (2000) 6329-6330 Space group: P 1 21 1 Cell volume: 1110.7 Cell parameters: 7.666; 17.2; 8.955; 90; 109.84; 90; |
| COD ID: 4116069 | |
| CIF file | Formula: - C21 H37 B N O2 P - Comments: Tsuneo Imamoto; Hideaki Morishita An Enantiomerically Pure Tetracoordinate Boron Compound: Stereochemistry of Substitution Reactions at the Chirogenic Boron Atom Journal of the American Chemical Society 122 (2000) 6329-6330 Space group: P 1 21 1 Cell volume: 1106.3 Cell parameters: 7.611; 17.309; 8.95; 90; 110.24; 90; |
| COD ID: 4116070 | |
| CIF file | Formula: - C44 H56 Cu N2 O S - Comments: Patrick L. Holland; William B. Tolman A Structural Model of the Type 1 Copper Protein Active Site: N2S(thiolate)S(thioether) Ligation in a Cu(II) Complex Journal of the American Chemical Society 122 (2000) 6331-6332 Space group: P 1 21/n 1 Cell volume: 3923.4 Cell parameters: 8.9674; 11.8249; 37.037; 90; 92.577; 90; |
| COD ID: 4116071 | |
| CIF file | Formula: - C44 H56 Cu N2 S2 - Comments: Patrick L. Holland; William B. Tolman A Structural Model of the Type 1 Copper Protein Active Site: N2S(thiolate)S(thioether) Ligation in a Cu(II) Complex Journal of the American Chemical Society 122 (2000) 6331-6332 Space group: R -3 :H Cell volume: 20610 Cell parameters: 31.7444; 31.7444; 23.6164; 90; 90; 120; |
| COD ID: 4116072 | |
| CIF file | Formula: - C34 H48 Ti - Comments: Paul-Michael Pellny; Vladimir V. Burlakov; Perdita Arndt; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal Reactions of Hexatriynes with Permethyltitanocene and -zirconocene Complexes: First NMR Observation of a Metallocene Sliding along a Polyyne Chain Journal of the American Chemical Society 122 (2000) 6317-6318 Space group: P -1 Cell volume: 3199 Cell parameters: 12.866; 15.594; 18.197; 67.33; 76.78; 73.38; |
| COD ID: 4116073 | |
| CIF file | Formula: - C34 H48 Zr - Comments: Paul-Michael Pellny; Vladimir V. Burlakov; Perdita Arndt; Wolfgang Baumann; Anke Spannenberg; Uwe Rosenthal Reactions of Hexatriynes with Permethyltitanocene and -zirconocene Complexes: First NMR Observation of a Metallocene Sliding along a Polyyne Chain Journal of the American Chemical Society 122 (2000) 6317-6318 Space group: P 1 21/c 1 Cell volume: 3120.2 Cell parameters: 9.093; 30.743; 11.625; 90; 106.23; 90; |
| COD ID: 4116074 | |
| CIF file | Formula: - C48.48 H53.24 Cl8.86 N4 Na O12.14 - Comments: Martin J. Deetz; Maoyu Shang; Bradley D. Smith A Macrobicyclic Receptor with Versatile Recognition Properties: Simultaneous Binding of an Ion Pair and Selective Complexation of Dimethylsulfoxide Journal of the American Chemical Society 122 (2000) 6201-6207 Space group: P 1 21/n 1 Cell volume: 5773 Cell parameters: 14.075; 17.906; 23.885; 90; 106.455; 90; |
| COD ID: 4116075 | |
| CIF file | Formula: - C47 H55 N4 O13.5 S1.5 - Comments: Martin J. Deetz; Maoyu Shang; Bradley D. Smith A Macrobicyclic Receptor with Versatile Recognition Properties: Simultaneous Binding of an Ion Pair and Selective Complexation of Dimethylsulfoxide Journal of the American Chemical Society 122 (2000) 6201-6207 Space group: C 1 2/c 1 Cell volume: 9294.4 Cell parameters: 38.531; 14.1236; 17.5199; 90; 102.88; 90; |
| COD ID: 4116076 | |
| CIF file | Formula: - C63 H79 F3 Fe2 N8 O8 S - Comments: Sonha C. Payne; Karl S. Hagen Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer Journal of the American Chemical Society 122 (2000) 6399-6410 Space group: P 1 21/c 1 Cell volume: 6251 Cell parameters: 17.254; 15.452; 24.427; 90; 106.28; 90; |
| COD ID: 4116077 | |
| CIF file | Formula: - C84 H96 B Fe2 N7 O5 - Comments: Sonha C. Payne; Karl S. Hagen Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer Journal of the American Chemical Society 122 (2000) 6399-6410 Space group: P b c a Cell volume: 14803 Cell parameters: 20.418; 19.2789; 37.606; 90; 90; 90; |
| COD ID: 4116078 | |
| CIF file | Formula: - C63 H67 F3 Fe2 N6 O9 S - Comments: Sonha C. Payne; Karl S. Hagen Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer Journal of the American Chemical Society 122 (2000) 6399-6410 Space group: P b c a Cell volume: 12311.2 Cell parameters: 20.7008; 19.6161; 30.3179; 90; 90; 90; |
| COD ID: 4116079 | |
| CIF file | Formula: - C84 H95 B Fe2 N7 O5 - Comments: Sonha C. Payne; Karl S. Hagen Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer Journal of the American Chemical Society 122 (2000) 6399-6410 Space group: P b c a Cell volume: 14988.7 Cell parameters: 20.5573; 19.3176; 37.7437; 90; 90; 90; |
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