Crystallography Open Database
Search results
Result: there are 35742 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
Searching journal of publication like 'Journal of the American Chemical Society'
COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
---|---|---|---|---|---|---|
1000044 | CIF | Ca O | F m -3 m | 4.799; 4.799; 4.799 90; 90; 90 | 110.5 | Primak, W; Kaufman, H; Ward, R X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors Journal of the American Chemical Society, 1948, 70, 2043-2046 |
1008127 | CIF | Br D4 N | P -4 3 m | 4; 4; 4 90; 90; 90 | 64 | Levy, H A; Peterson, S W Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases Journal of the American Chemical Society, 1953, 75, 1536-1542 |
1008128 | CIF | Br D4 N | P m -3 m | 4.06; 4.06; 4.06 90; 90; 90 | 66.9 | Levy, H A; Peterson, S W Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases Journal of the American Chemical Society, 1953, 75, 1536-1542 |
1008129 | CIF | Br D4 N | P 4/n m m :1 | 5.826; 5.826; 4.136 90; 90; 90 | 140.4 | Levy, H A; Peterson, S W Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases Journal of the American Chemical Society, 1953, 75, 1536-1542 |
1008130 | CIF | K O4 Ru | I 41/a :1 | 5.609; 5.609; 12.991 90; 90; 90 | 408.7 | Silverman, M D; Levy, H A Crystal Structure of Potassium Perruthenate, K Ru O~4~ Journal of the American Chemical Society, 1954, 76, 3317-3319 |
1008156 | CIF | F2 Xe | I 4/m m m | 4.315; 4.315; 6.99 90; 90; 90 | 130.1 | Levy, H A; Agron, P A The Crystal and Molecular Structure of Xenon Difluoride by Neutron Diffraction Journal of the American Chemical Society, 1963, 85, 241-242 |
1008920 | CIF | Br D4 N | F m -3 m | 6.9; 6.9; 6.9 90; 90; 90 | 328.5 | Levy, H A; Peterson, S W Neutron diffraction determination of the crystal structure of ammonium bromide in four phases Journal of the American Chemical Society, 1953, 75, 1536-1542 |
1010049 | CIF | F7 K2 Nb | P 1 21/c 1 | 5.85; 12.67; 8.5 90; 90; 90 | 630 | Hoard, J L Structures of complex fluorides. Potassium heptafluocolumbate. The Configuration of the heptafluocolumbate and heptafluortantalate ions Journal of the American Chemical Society, 1939, 61, 1252-1259 |
1010050 | CIF | F7 K2 Ta | P 1 21/c 1 | 5.85; 12.67; 8.5 90; 90; 90 | 630 | Hoard, J L Structures of complex fluorides. Potassium heptafluocolumbate. The Configuration of the heptafluocolumbate and heptafluortantalate ions Journal of the American Chemical Society, 1939, 61, 1252-1259 |
1010073 | CIF | Cl2 Cs I | R -3 m :R | 4.06; 4.06; 4.06 98.37; 98.37; 98.37 | 64.5 | Wyckoff, R W G The Crystal Structure of Cesium Dichloro-Iodide Journal of the American Chemical Society, 1920, 42, 1100-1116 |
1010074 | CIF | Br H4 N | F m -3 m | 6.9; 6.9; 6.9 90; 90; 90 | 328.5 | Bartlett, G; Langmuir, I The Crystal Structure of the Ammonium Halides Above and Below the Transition Temperature Journal of the American Chemical Society, 1921, 43, 84-91 |
1010075 | CIF | H4 I N | F m -3 m | 7.199; 7.199; 7.199 90; 90; 90 | 373.1 | Bartlett, G; Langmuir, I The Crystal Structure of the Ammonium Halides Above and Below the Transition Temperature Journal of the American Chemical Society, 1921, 43, 84-91 |
1010076 | CIF | Br Cu | F -4 3 m | 5.82; 5.82; 5.82 90; 90; 90 | 197.1 | Wyckoff, R W G; Posnjak, E The Crystal Structures of the Cuprous Halides Journal of the American Chemical Society, 1922, 44, 30-36 |
1010077 | CIF | Cl6 K2 Sn | F m -3 m | 9.96; 9.96; 9.96 90; 90; 90 | 988 | Dickinson, R G The Crystal Structures of Potassium and Ammonium Chlorostannates Journal of the American Chemical Society, 1922, 44, 276-288 |
1010078 | CIF | Cl6 H8 N2 Sn | F m -3 m | 10.05; 10.05; 10.05 90; 90; 90 | 1015.1 | Dickinson, R G The Crystal Structures of Potassium and Ammonium Chlorostannates Journal of the American Chemical Society, 1922, 44, 276-288 |
1010079 | CIF | C4 K2 N4 Zn | F d -3 m :1 | 12.54; 12.54; 12.54 90; 90; 90 | 1971.9 | Dickinson, R G The Crystal Structures of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury Journal of the American Chemical Society, 1922, 44, 774-784 |
1010080 | CIF | C4 Cd K2 N4 | F d -3 m :1 | 12.84; 12.84; 12.84 90; 90; 90 | 2116.9 | Dickinson, R G The Crystal Structures of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury Journal of the American Chemical Society, 1922, 44, 774-784 |
1010081 | CIF | C4 Hg K2 N4 | F d -3 m :1 | 12.76; 12.76; 12.76 90; 90; 90 | 2077.6 | Dickinson, R G The Crystal Structure of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury Journal of the American Chemical Society, 1922, 44, 774-784 |
1010082 | CIF | Cl4 K2 Pd | P 4/m m m | 7.04; 7.04; 4.1 90; 90; 90 | 203.2 | Dickinson, R G The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates Journal of the American Chemical Society, 1922, 44, 2404-2411 |
1010083 | CIF | Cl4 K2 Pt | P 4/m m m | 6.99; 6.99; 4.13 90; 90; 90 | 201.8 | Dickinson, R G The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates Journal of the American Chemical Society, 1922, 44, 2404-2411 |
1010084 | CIF | Cl4 H8 N2 Pd | P 4/m m m | 7.21; 7.21; 4.26 90; 90; 90 | 221.5 | Dickinson, R G The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates Journal of the American Chemical Society, 1922, 44, 2404-2411 |
1010085 | CIF | F6 Fe H12 N3 | F -4 3 m | 9.1; 9.1; 9.1 90; 90; 90 | 753.6 | Pauling, L The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate Journal of the American Chemical Society, 1924, 46, 2738-2751 |
1010086 | CIF | Al F6 H12 N3 | F -4 3 m | 8.4; 8.4; 8.4 90; 90; 90 | 592.7 | Pauling, L The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate Journal of the American Chemical Society, 1924, 46, 2738-2751 |
1010087 | CIF | F3 H12 Mo N3 O3 | F -4 3 m | 9.1; 9.1; 9.1 90; 90; 90 | 753.6 | Pauling, L The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate Journal of the American Chemical Society, 1924, 46, 2738-2751 |
1010088 | CIF | N3 Na | R -3 m :R | 5.481; 5.481; 5.481 38.72; 38.72; 38.72 | 57.9 | Hendricks, S B; Pauling, L The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group Journal of the American Chemical Society, 1925, 47, 2904-2920 |
1010089 | CIF | K N3 | I 4/m c m | 6.094; 6.094; 7.056 90; 90; 90 | 262 | Hendricks, S B; Pauling, L The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group Journal of the American Chemical Society, 1925, 47, 2904-2920 |
1010090 | CIF | C K N O | I 4/m c m | 6.07; 6.07; 7.03 90; 90; 90 | 259 | Hendricks, S B; Pauling, L The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group Journal of the American Chemical Society, 1925, 47, 2904-2920 |
1010091 | CIF | I2 | C m c a | 7.255; 4.795; 9.78 90; 90; 90 | 340.2 | Harris, P M; Mack, E; Blake, F C The Atomic Arrangement in the Crystal of Orthorhombic Iodine Journal of the American Chemical Society, 1928, 50, 1583-1600 |
1010092 | CIF | H4 N2 O3 | P -4 | 5.74; 5.74; 5 90; 90; 90 | 164.7 | Hendricks, S B; Posnjak, E; Kracek, F C Molecular Rotation in the Solid State. The Variation of the Crystal Structure of Ammonium Nitrate with Temperature Journal of the American Chemical Society, 1932, 54, 2766-2786 |
1010093 | CIF | Ni O | F m -3 m | 4.1684; 4.1684; 4.1684 90; 90; 90 | 72.4 | Cairns, R W; Ott, E X-Ray Studies of the System Nickel-Oxygen-Water. I. Nickelous Oxide and Hydroxide Journal of the American Chemical Society, 1933, 55, 527-533 |
1010094 | CIF | B F4 Rb | P n m a | 9.07; 5.6; 7.23 90; 90; 90 | 367.2 | Hoard, J L; Blair, V The Crystal Structures of Rubidium and Ammonium Fluoborates Journal of the American Chemical Society, 1935, 57, 1985-1988 |
1010095 | CIF | Ni O | F m -3 m | 4.18; 4.18; 4.18 90; 90; 90 | 73 | Smith, N The Structure of Thin Films of Metallic Oxides and Hydrates Journal of the American Chemical Society, 1936, 58, 173-179 |
1010096 | CIF | Br | C m c a | 16.67; 4.48; 8.72 90; 90; 90 | 651.2 | Vonnegut, B; Warren, B E The Structure of Crystalline Bromine Journal of the American Chemical Society, 1936, 58, 2459-2461 |
1010097 | CIF | Mn Se2 | P a -3 | 6.417; 6.417; 6.417 90; 90; 90 | 264.2 | Elliott, N The Crystal Structure of Manganese Diselenide and Manganese Ditelluride Journal of the American Chemical Society, 1937, 59, 1958-1962 |
1010098 | CIF | H11 I N2 O6 | R -3 HR | 6.88; 6.88; 11.1 90; 90; 120 | 455 | Helmholz, L. The Crystal Structure of Ammonium Trihydrogen Paraperiodate, (N H~4~)~2~ H~3~ I O~6~ Journal of the American Chemical Society, 1937, 59, 2036-2039 |
1010099 | CIF | F7 H12 N3 Zr | F m -3 m | 9.365; 9.365; 9.365 90; 90; 90 | 821.3 | Hampson, G C; Pauling, L The Structure of Ammonium Heptafluozirconate and Potassium Heptafluozirconate and the Configuration of the Heptafluozirconate Group Journal of the American Chemical Society, 1938, 60, 2702-2707 |
1010100 | CIF | F7 K3 Zr | F m -3 m | 8.951; 8.951; 8.951 90; 90; 90 | 717.2 | Hampson, G C; Pauling, L The Structure of Ammonium Heptafluozirconate and Potassium Heptafluozirconate and the Configuration of the Heptafluozirconate Group Journal of the American Chemical Society, 1938, 60, 2702-2707 |
1010101 | CIF | F6 Ge K2 | P -3 m 1 | 5.62; 5.62; 4.65 90; 90; 120 | 127.2 | Hoard, J L; Vincent, W B Structures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate Journal of the American Chemical Society, 1939, 61, 2849-2852 |
1010102 | CIF | F6 Ge H8 N2 | P -3 m 1 | 5.85; 5.85; 4.775 90; 90; 120 | 141.5 | Hoard, J L; Vincent, W B Ytructures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate Journal of the American Chemical Society, 1939, 61, 2849-2852 |
1010103 | CIF | C8 H4 K4 Mo N8 O2 | P n m a | 16.55; 11.7; 8.68 90; 90; 90 | 1680.8 | Hoard, J. L.; Nordsieck, H. H. The Structure of Potassium Molybdocyanide Dihydrate. The Configuration of the Molybdenum Octocyanide Group Journal of the American Chemical Society, 1939, 61, 2853-2863 |
1010201 | CIF | Au2 Cl6 Cs2 | I 4/m m m | 7.49; 7.49; 10.87 90; 90; 90 | 609.8 | Elliott, N; Pauling, L The Crystal Structure of Cesium Aurous Auric Chloride, Vs~2~ Au Au Cl~6~, and Cesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~ Journal of the American Chemical Society, 1938, 60, 1846-1851 |
1010202 | CIF | Ag Au Cl6 Cs2 | I 4/m m m | 7.38; 7.38; 11.01 90; 90; 90 | 599.7 | Elliott, N; Pauling, L The Crystal Structure of Cesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~, and Cesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~ Journal of the American Chemical Society, 1938, 60, 1846-1851 |
1010203 | CIF | F2 I K O2 | P c a 21 | 8.38; 5.97; 8.41 90; 90; 90 | 420.7 | Helmholz, L; Rogers, M T The Crystal Structure of Potassium Fluoroiodate, K I O~2~ F~2~ Journal of the American Chemical Society, 1940, 62, 1537-1542 |
1010204 | CIF | Br3 H18 Nd O18 | P 63 m c | 11.73; 11.73; 6.76 90; 90; 120 | 805.5 | Helmholz, L The Crystal Structure of Neodymium Enneahydrate, Nd (Br O~3~)~3~ (H~2~ O)~9~ Journal of the American Chemical Society, 1939, 61, 1544-1550 |
1010205 | CIF | Ba F6 Si | R -3 m :R | 4.75; 4.75; 4.75 97.97; 97.97; 97.97 | 103.7 | Hoard, J L; Vincent, W B Structures of Complex Fluorides. Barium Fluorosilicate and Barium Fluorogermanate Journal of the American Chemical Society, 1940, 62, 3126-3129 |
1010206 | CIF | Ba F6 Ge | R -3 m :R | 4.83; 4.83; 4.83 98.02; 98.02; 98.02 | 109 | Hoard, J L; Vincent, W B Structures of Complex Fluorides. Barium Fluorosilicate and Barium Fluorogermanate Journal of the American Chemical Society, 1940, 62, 3126-3129 |
1010376 | CIF | Cd Cl3 H4 N | P n a m | 8.96; 14.87; 3.97 90; 90; 90 | 528.9 | Brasseur, H; Pauling, L The Crystal Structure of Ammonium Cadmium Chloride, N H~4~ Cd Cl~3~ Journal of the American Chemical Society, 1938, 60, 2886-2890 |
1010377 | CIF | Cl Na O3 | P 21 3 | 6.56; 6.56; 6.56 90; 90; 90 | 282.3 | Dickinson, R G; Goodhue, E A The Crystal Structures of Sodium Chlorate and Sodium Bromate Journal of the American Chemical Society, 1921, 43, 2045-2055 |
1010378 | CIF | Br Na O3 | P 21 3 | 6.71; 6.71; 6.71 90; 90; 90 | 302.1 | Dickinson, R G; Goodhue, E A The Crystal Structures of Sodium Chlorate and Sodium Bromate Journal of the American Chemical Society, 1921, 43, 2045-2055 |
1010379 | CIF | Cl6 H8 N2 Pt | F m -3 m | 9.843; 9.843; 9.843 90; 90; 90 | 953.6 | Wyckoff, R W G; Posnjak, E The Crystal Structure of Ammonium Chloroplatinate Journal of the American Chemical Society, 1921, 43, 2292-2309 |
1010380 | CIF | F2 H K | I 4/m c m | 5.67; 5.67; 6.81 90; 90; 90 | 218.9 | Helmholz, L; Rogers, M T A Redetermination of the Fluorine - Fluorine Distance in Potassium Bifluoride Journal of the American Chemical Society, 1939, 61, 2590-2592 |
1010381 | CIF | Ni O | F m -3 m | 4.17; 4.17; 4.17 90; 90; 90 | 72.5 | Thomassen, L An X-Ray Investigation of the System Cr~2~ O~3~ - Ni O Journal of the American Chemical Society, 1940, 62, 1134-1135 |
1010389 | CIF | Cl6 Cs2 Ge | F m -3 m | 10.21; 10.21; 10.21 90; 90; 90 | 1064.3 | Laubengayer, A W; Billings, O B; Newkirk, A E Chlorogermanic Acid and the Chlorogermanates. Properties and Crystal Structure of Cesium Hexachlorogermanate Journal of the American Chemical Society, 1940, 62, 546-548 |
1010390 | CIF | F2 H5 N | P m a n | 8.426; 8.18; 3.69 90; 90; 90 | 254.3 | Rogers, M T; Helmholz, L A Redetermination of the Parameters in Ammonium Bifluoride Journal of the American Chemical Society, 1940, 62, 1533-1536 |
1010391 | CIF | K N3 | I 4/m c m | 6.094; 6.094; 7.056 90; 90; 90 | 262 | Frevel, L K The Configuration of the Azide Ion Journal of the American Chemical Society, 1936, 58, 779-782 |
1010392 | CIF | N3 Na | R -3 m :R | 5.481; 5.481; 5.481 38.72; 38.72; 38.72 | 57.9 | Frevel, L K The Configuration of the Azide Ion Journal of the American Chemical Society, 1936, 58, 779-782 |
1010609 | CIF | As4 O6 | F d -3 m :1 | 11.06; 11.06; 11.06 90; 90; 90 | 1352.9 | Bozorth, R M The crystal structures of the cubic forms of arsenious and antimonous oxide Journal of the American Chemical Society, 1923, 45, 1621-1627 |
1010610 | CIF | I4 Sn | P a -3 | 12.23; 12.23; 12.23 90; 90; 90 | 1829.3 | Dickinson, R G The crystal structure of tin tetraiodide Journal of the American Chemical Society, 1923, 45, 958-962 |
1010623 | CIF | Ag2 Mo O4 | F d -3 m :1 | 9.26; 9.26; 9.26 90; 90; 90 | 794 | Wyckoff, R W G The crystal structure of silver molybdate Journal of the American Chemical Society, 1922, 44, 1994-1997 |
1010624 | CIF | I Na O4 | I 41/a :1 | 5.322; 5.322; 11.93 90; 90; 90 | 337.9 | Kirkpatrick, L M; Dickinson, R G The crystal structure of sodium periodate Journal of the American Chemical Society, 1927, 48, 2327-2334 |
1010626 | CIF | H18 N8 Ni O6 | P a -3 | 10.96; 10.96; 10.96 90; 90; 90 | 1316.5 | Wyckoff, R W G The composition and crystal structure of nickel nitrate hexammoniate Journal of the American Chemical Society, 1922, 44, 1260-1266 |
1010849 | CIF | H4 O7 Pb5 | 5.93; 4.65; 6.36 90; 105.78; 90 | 168.8 | Clark, G L; Tyler, W P On Lead Oxides. II. Hydrous, Normal and Active Lead Monoxides Journal of the American Chemical Society, 1939, 61, 58-65 | |
1010850 | CIF | Cr H24 O20 S2 Tl | 12.238; 12.238; 12.238 90; 90; 90 | 1832.9 | Klug, H P Crystal-Chemical Studies of the Alums. II. The Purple Chrome Alums Journal of the American Chemical Society, 1940, 62, 2992-2993 | |
1010851 | CIF | H32 Mo7 N6 O28 | P 1 21/c 1 | 8.382; 36.125; 10.464 90; 116; 90 | 2847.8 | Sturdivant, J H The Formula of Ammonium Paramolybdate Journal of the American Chemical Society, 1937, 59, 630-631 |
1010854 | CIF | Cl2 H18 N6 Ni | F m -3 | 10.09; 10.09; 10.09 90; 90; 90 | 1027.2 | Wyckoff, R W G The crystal structures of the hexaammoniates of the nickel halides Journal of the American Chemical Society, 1922, 44, 1239-1245 |
1010855 | CIF | Br2 H18 N6 Ni | 10.48; 10.48; 10.48 90; 90; 90 | 1151 | Wyckoff, R W G The crystal structures of the hexaammoniates of the nickel halides Journal of the American Chemical Society, 1922, 44, 1239-1245 | |
1010856 | CIF | H18 I2 N6 Ni | 11.01; 11.01; 11.01 90; 90; 90 | 1334.6 | Wyckoff, R W G The crystal structures of the hexaammoniates of the nickel halides Journal of the American Chemical Society, 1922, 44, 1239-1245 | |
1010914 | CIF | Al2 O3 | R -3 c :R | 5.12; 5.12; 5.12 55.28; 55.28; 55.28 | 84.5 | Pauling, L; Hendricks, S B Crystal Structures of Hematite and Corundum Journal of the American Chemical Society, 1925, 47, 781-790 |
1010928 | CIF | C Ca O3 | R -3 c RS | 6.36; 6.36; 6.36 46.1; 46.1; 46.1 | 121.9 | Elliott, N A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate Journal of the American Chemical Society, 1937, 59, 1380-1382 |
1010929 | CIF | Cu Fe S2 | F -4 3 m | 5.228; 5.228; 5.228 90; 90; 90 | 142.9 | Burdick, C L; Ellis, J H The Crystal Structure of Chalcopyrite Determined by X-Rays Journal of the American Chemical Society, 1917, 39, 2519-2525 |
1010977 | CIF | O Pb | P 4/n m m :1 | 3.99; 3.99; 5.01 90; 90; 90 | 79.8 | Dickinson, R G; Friauf, J B The crystal structure of tetragonal lead monoxide Journal of the American Chemical Society, 1924, 46, 2457-2462 |
1010991 | CIF | Cl Cu | F -4 3 m | 5.501; 5.501; 5.501 90; 90; 90 | 166.5 | Wyckoff, R W G; Posnjak, E The Crystal Structures of the Cuprous Halides Journal of the American Chemical Society, 1922, 44, 30-36 |
1010992 | CIF | F6 H8 N2 Si | F m -3 m | 8.38; 8.38; 8.38 90; 90; 90 | 588.5 | Bozorth, R M The Crystal Structure of Ammonium Fluosilicate Journal of the American Chemical Society, 1922, 44, 1066-1070 |
1010993 | CIF | Mo S2 | P 63/m m c | 3.15; 3.15; 12.3 90; 90; 120 | 105.7 | Dickinson, R G; Pauling, L The Crystal Structure of Molybdenite Journal of the American Chemical Society, 1923, 45, 1466-1471 |
1010994 | CIF | O2 Se | P 42/m b c | 8.353; 8.353; 5.051 90; 90; 90 | 352.4 | McCullough, J D The Crystal Structure of Selenium Dioxide Journal of the American Chemical Society, 1937, 59, 789-794 |
1011029 | CIF | N Na O3 | R -3 c :R | 6.32; 6.32; 6.32 47.25; 47.25; 47.25 | 124.5 | Elliott, N A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate Journal of the American Chemical Society, 1937, 59, 1380-1382 |
1011030 | CIF | Cr2 Ni O4 | F d -3 m :1 | 8.299; 8.299; 8.299 90; 90; 90 | 571.6 | Thomassen, L An X-Ray Investigation of the System Cr2 O3 - Ni O Journal of the American Chemical Society, 1940, 62, 1134-1136 |
1011031 | CIF | C Si | F -4 3 m | 4.358; 4.358; 4.358 90; 90; 90 | 82.8 | Burdick, C L; Owen, E A The Atomic Structure of Carborundum Determined by X-Rays Journal of the American Chemical Society, 1918, 40, 1749-1759 |
1011065 | CIF | Cl4 Cu H4 K2 O2 | P 42/m n m | 7.45; 7.45; 7.88 90; 90; 90 | 437.4 | Hendricks, S B; Dickinson, R G The Crystal Structure of ammonium, potassium and rubidium cupric chloride dihydrates Journal of the American Chemical Society, 1927, 49, 2149-2162 |
1011075 | CIF | Hg2 I2 | I -4 m 2 | 4.92; 4.92; 11.64 90; 90; 90 | 281.8 | Huggins, M L; Magill, P L The crystal stuctures of mercuric and mercurous iodides Journal of the American Chemical Society, 1927, 49, 2357-2367 |
1011076 | CIF | Cl2 Hg2 | I 4/m m m | 4.47; 4.47; 10.89 90; 90; 90 | 217.6 | Havighurst, R J Parameters in crystal structure. The mercurous halides Journal of the American Chemical Society, 1926, 48, 2113-2130 |
1011077 | CIF | Br2 Hg2 | P 42/m n m | 4.66; 4.66; 11.12 90; 90; 90 | 241.5 | Havighurst, R J Parameters in crystal structure. The mercurouos halides Journal of the American Chemical Society, 1926, 48, 2113-2131 |
1011078 | CIF | Hg2 I2 | P 42/m n m | 4.92; 4.92; 11.61 90; 90; 90 | 281 | Havighurst, R J Parameters in crystal structure. The mercurous halides Journal of the American Chemical Society, 1926, 48, 2113-2125 |
1011079 | CIF | H4 N2 O3 | P n m m :1 | 4.928; 5.438; 5.732 90; 90; 90 | 153.6 | West, C. D. The crystal structure of rhombic ammonium nitrate Journal of the American Chemical Society, 1932, 54, 2256-2260 |
1011129 | CIF | Cl H4 N | P m -3 m | 3.868; 3.868; 3.868 90; 90; 90 | 57.9 | Bartlett, G; Langmuir, I The crystal structure of the ammonium halides above and below the transition temperature Journal of the American Chemical Society, 1921, 43, 84-91 |
1011130 | CIF | Cl H4 N | F m -3 m | 6.533; 6.533; 6.533 90; 90; 90 | 278.8 | Bartlett, G; Langmuir, I The crystal structure of the ammonium halides above and below the transition temperature Journal of the American Chemical Society, 1921, 43, 84-91 |
1011131 | CIF | H4 N2 O3 | P m -3 m | 4.4; 4.4; 4.4 90; 90; 90 | 85.2 | Hendricks, S B; Posnjak, E; Kracek, F C Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature Journal of the American Chemical Society, 1932, 54, 2766-2786 |
1011132 | CIF | H4 N2 O3 | P b n m | 7.06; 7.66; 5.8 90; 90; 90 | 313.7 | Hendricks, S B; Posnjak, E; Kracek, F C Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature Journal of the American Chemical Society, 1932, 54, 2766-2786 |
1011133 | CIF | H4 N2 O3 | P m m n :1 | 5.75; 5.45; 4.96 90; 90; 90 | 155.4 | Hendricks, S B; Posnjak, E; Kracek, F C Molecular rotation in the solid state. The variation of the crystal structure of ammonium nitrate with temperature Journal of the American Chemical Society, 1932, 54, 2766-2786 |
1011134 | CIF | H2 Ni O2 | P -3 m 1 | 3.114; 3.114; 4.617 90; 90; 120 | 38.8 | Cairns, R W; Ott, E X-ray studies of the system nickel-oxygen-water. I. Nickelous oxide and hydroxide Journal of the American Chemical Society, 1933, 55, 527-533 |
1011135 | CIF | B F4 H4 N | P n m a | 9.06; 5.64; 7.23 90; 90; 90 | 369.4 | Hoard, J L; Blair, V The crystal structures of rubidium and ammonium fluoborates Journal of the American Chemical Society, 1935, 57, 1985-1988 |
1011170 | CIF | Mo O4 Pb | I 41/a :1 | 5.47; 5.47; 12.08 90; 90; 90 | 361.4 | Dickinson, R G The crystal structure of wulfenite and scheelite Journal of the American Chemical Society, 1920, 42, 85-93 |
1011171 | CIF | Ca O4 W | I 41/a :1 | 5.62; 5.62; 11.4 90; 90; 90 | 360.1 | Dickinson, R G The crystal structure of wulfenite and scheelite Journal of the American Chemical Society, 1920, 42, 85-93 |
1011218 | CIF | O6 Sb4 | F d -3 m :1 | 11.14; 11.14; 11.14 90; 90; 90 | 1382.5 | Bozorth, R M The crystal structures of the cubic forms of arsenious and antimonous oxides Journal of the American Chemical Society, 1923, 45, 1621-1627 |
1011239 | CIF | Cu I | F -4 3 m | 6.1; 6.1; 6.1 90; 90; 90 | 227 | Wyckoff, R W G; Posnjak, E The crystal structures of the cuprous halides Journal of the American Chemical Society, 1922, 44, 30-36 |
1011240 | CIF | Fe2 O3 | R -3 c :R | 5.43; 5.43; 5.43 55.28; 55.28; 55.28 | 100.8 | Pauling, L; Hendricks, S B The Structure of Hematite Journal of the American Chemical Society, 1925, 47, 781-790 |
1011300 | CIF | Br H4 N | P m -3 m | 3.988; 3.988; 3.988 90; 90; 90 | 63.4 | Bartlett, G; Langmuir, I The crystal structure of the ammonium halides above and below the transition temperature Journal of the American Chemical Society, 1921, 43, 84-91 |
1011352 | CIF | Mn Te2 | P a -3 | 6.943; 6.943; 6.943 90; 90; 90 | 334.7 | Elliott, N The crystal structure of manganese diselenide and manganese ditelluride Journal of the American Chemical Society, 1937, 59, 1958-1962 |
1100027 | CIF | O Sr | F m -3 m | 5.1396; 5.1396; 5.1396 90; 90; 90 | 135.8 | Primak, W; Kaufman, H; Ward, R X-Ray Diffraction Studies of Systems Involved in the Preparation of Alkaline Earth Sulfide and Selenide Phosphors Journal of the American Chemical Society, 1948, 70, 2043-2046 |
1100166 | CIF | C44.75 H32 Ag O2 P2 | C 1 2/c 1 | 17.417; 21.402; 11.298 90; 117.15; 90 | 3747.4 | Norie Momiyama; Hisashi Yamamoto Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity Journal of the American Chemical Society, 2004, 126, 5360-5361 |
1100178 | CIF | C25 H24 N2 O6 | P -1 | 7.842; 12.127; 12.973 65.76; 86.43; 81.31 | 1112.04 | 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, 2000, 122, 10218-10219 |
1100179 | CIF | C18 H22 O | R 3 :H | 23.056; 23.056; 7.325 90; 90; 120 | 3372.15 | 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, 2000, 122, 10218-10219 |
1100180 | CIF | C17 H20 O | R 3 :H | 22.864; 22.864; 7.229 90; 90; 120 | 3272.75 | 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, 2000, 122, 10218-10219 |
1100289 | CIF | C20 H19 N O3 | P 1 21 1 | 9.191; 16.567; 11.465 90; 101.93; 90 | 1708.04 | Tietze, Lutz F.; Brand, Siegbert; Pfeiffer, Thomas; Antel, Jochen; Harms, Klaus; Sheldrick, George M. Intra- and intermolecular hetero-Diels-Alder reactions. 15. Asymmetric induction in Grignard and hetero-Diels-Alder reactions of chiral α,β-unsaturated carbonyl compounds Journal of the American Chemical Society, 1987, 109, 921-923 |
1100296 | CIF | C10 H16 Li N O | P 1 21/c 1 | 11.493; 9.567; 19.636 90; 93.18; 90 | 2155.72 | Boche, Gernot; Harms, Klaus; Marsch, Michael X-ray structure determination of [1-cyano-2,.2-dimtheylcyclopropyllithium·tetrahydrofuran]~∞~: a tetrahedral anionic α-cyano carbon atom Journal of the American Chemical Society, 1988, 110, 6925-6926 |
1100358 | CIF | C15 H37 Li N2 Si2 | C 1 2/c 1 | 19.69; 11.788; 19.56 90; 101.28; 90 | 4452.29 | Boche, Gernot; Fraenkel, Gideon; Cabral, Jose; Harms, Klaus; Van Eikema Hommes, Nicolaas J. R.; Lohrenz, John; Marsch, Michael; Schleyer, Paul v. R. exo,exo-[1,3-Bis(trimethylsilyl)allyl]lithium-N,N,N',N'-tetramethylethylenediamine complex: crystal structure and dynamics in solution Journal of the American Chemical Society, 1992, 114, 1562-1565 |
1100374 | CIF | C25 H25 Fe P5 | P 1 2/n 1 | 16.01; 9.727; 16.193 90; 102.11; 90 | 2465.61 | Elschenbroich, Christoph; Nowotny, Mathias; Behrendt, Andreas; Harms, Klaus; Wocadlo, Sigrid; Pebler, Juergen Pentakis(η^1^-phosphinine)iron: Synthesis, Structure, and Mode of Formation Journal of the American Chemical Society, 1994, 116, 6217-6219 |
1100430 | CIF | C13 H11 D O2 V | P 1 21/n 1 | 6.993; 16.539; 9.554 90; 104.6; 90 | 1069.31 | Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K. Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH) Journal of the American Chemical Society, 1997, 119, 7452-7457 |
1100431 | CIF | C13 H12 O2 V | P 1 21/n 1 | 6.98; 16.541; 9.544 90; 104.6; 90 | 1066.33 | Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K. Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH) Journal of the American Chemical Society, 1997, 119, 7452-7457 |
1100432 | CIF | C26 H22 O3 V2 | P 1 21/n 1 | 13.534; 23.276; 13.582 90; 104.34; 90 | 4145.26 | Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K. Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH) Journal of the American Chemical Society, 1997, 119, 7452-7457 |
1100463 | CIF | C8 H10 I N3 | P n m a | 8.973; 6.542; 17.092 90; 90; 90 | 1003.32 | Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes Journal of the American Chemical Society, 1996, 118, 4925-4930 |
1100464 | CIF | C10 H12 I N3 | C 1 2/c 1 | 26.993; 5.599; 15.917 90; 105.44; 90 | 2318.78 | Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes Journal of the American Chemical Society, 1996, 118, 4925-4930 |
1100502 | CIF | C23 H48 Cl6 N2 O10 Ti2 | P -1 | 10.363; 10.397; 12.137 92.88; 109.44; 104.47 | 1181.21 | Boche, Gernot; Möbus, Konrad; Harms, Klaus; Marsch, Michael [((η^2^-tert-Butylperoxo)titanatrane)~2~ · 3 Dichloromethane]: X-ray Crystal Structure and Oxidation Reactions Journal of the American Chemical Society, 1996, 118, 2770-2771 |
1100584 | CIF | C24 H30 N2 O5 | P -1 | 8.145; 11.17; 13.241 105.19; 106.46; 101.38 | 1065.85 | Bach, Thorsten; Bergmann, Hermann; Harms, Klaus High Facial Diastereoselectivity in the Photocycloaddition of a Chiral Aromatic Aldehyde and an Enamide Induced by Intermolecular Hydrogen Bonding Journal of the American Chemical Society, 1999, 121, 10650-10651 |
1100873 | CIF | C38 H42 O13 P Pt Ru5 | P -1 | 12.6218; 13.3776; 14.3654 92.678; 91.051; 109.958 | 2275.91 | Adams, Richard D.; Captain, Burjor; Zhu, Lei Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)] Journal of the American Chemical Society, 2004, 126, 3042-3043 |
1100918 | CIF | C19 H29 Co N6 O4 | P 1 21 1 | 8.638; 13.833; 9.537 90; 99.06; 90 | 1125.35 | Yuji Ohashi; Kazunori Yanagi; Toshiharu Kurihara; Yoshio Sasada; Yoshiaki Ohgo Crystalline state reaction of cobaloxime complexes by x-ray exposure. 1. Direct observation of cobalt-carbon bond cleavage in [(R)-1-cyanoethyl][(S)-(-)-.alpha.-methylbenzylamine] bis(dimethylglyoximato)cobalt(III) Journal of the American Chemical Society, 1981, 103, 5805-5812 |
1101222 | CIF | C24 H118 Al6 N16 O65 P12 Zn3 | P -4 3 n | 16.7942; 16.7942; 16.7942 90; 90; 90 | 4736.72 | Lionel Beitone; Clarisse Huguenard; Axel Gansmüller; Marc Henry; Francis Taulelle; Thierry Loiseau; Gérard Férey Order-Disorder in the Super-Sodalite Zn3Al6(PO4)12, 4tren, 17H2O (MIL-74): A Combined XRD-NMR Assessment Journal of the American Chemical Society, 2003, 125, 9102-9110 |
1101223 | CIF | H1262 K43 Mo214 Na11 O1404 S12 V34 | C 1 2/m 1 | 46.324; 42.268; 41.896 90; 112.549; 90 | 75763 | Botar, Bogdan; Kögerler, Paul; Hill, Craig L. A Nanoring‒Nanosphere Molecule, {Mo~214~V~30~}: Pushing the Boundaries of Controllable Inorganic Structural Organization at the Molecular Level Journal of the American Chemical Society, 2006, 128, 5336-5337 |
1516253 | CIF | C6 H3 F N3 S4 | P 1 21/c 1 | 4.789; 12.683; 16.599 90; 71.26; 90 | 954.8 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
1516254 | CIF | C6 H3 F N3 S4 | P 1 21/n 1 | 17.301; 4.0582; 26.249 90; 92.074; 90 | 1841.8 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
1516255 | CIF | C12 H6 F2 N6 S8 | P 1 21/c 1 | 4.6011; 12.7317; 15.9122 90; 78.949; 90 | 914.8 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
1516256 | CIF | C12 H6 F2 N6 S8 | P 1 21/c 1 | 4.12168; 13.2722; 14.8586 90; 84.318; 90 | 808.83 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
1516257 | CIF | C6 H3 F N3 S4 | P 1 21/c 1 | 4.789; 12.683; 16.281 90; 74.89; 90 | 954.7 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
1516258 | CIF | C12 H6 F2 N6 S8 | P 1 21/c 1 | 3.86543; 13.4994; 14.4694 90; 86.261; 90 | 753.42 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
1520022 | CIF | C12 H13 Cl O2 | P 21 21 21 | 5.8119; 10.51; 18.411 90; 90; 90 | 1124.6 | Sai, Masahiro; Yamamoto, Hisashi Chiral Brønsted Acid as a True Catalyst: Asymmetric Mukaiyama Aldol and Hosomi-Sakurai Allylation Reactions. Journal of the American Chemical Society, 2015, 137, 7091-7094 |
2000026 | CIF | C84 H156 P6 S8 W6 | P -1 | 15.0562; 16.2762; 20.488 88.98; 74.256; 78.297 | 4728.23 | Jin, Song; Adamchuk, Jennifer; Xiang, Bosong; DiSalvo, Francis J. The Dean-Evans Relation in ^31^P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters Journal of the American Chemical Society, 2002, 124, 9229-9240 |
2000043 | CIF | C69 H98 N5 P S8 W6 | P 1 21/c 1 | 16.1816; 15.9178; 29.4907 90; 91.4768; 90 | 7593.56 | Jin, Song; Adamchuk, Jennifer; Xiang, Bosong; DiSalvo, Francis J. The Dean-Evans Relation in ^31^P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters Journal of the American Chemical Society, 2002, 124, 9229-9240 |
2000044 | CIF | C42 H86 N2 P4 S8 W6 | P 1 21/n 1 | 15.8389; 19.4806; 20.0882 90; 95.542; 90 | 6169.27 | Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters Journal of the American Chemical Society, 2002, 124, 9229-9240 |
2000045 | CIF | C40 H83 N2 P5 S8 W6 | P -1 | 12.024; 21.356; 25.107 112.39; 92.58; 90.68 | 5952.08 | Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters Journal of the American Chemical Society, 2002, 124, 9229-9240 |
2000099 | CIF | C94.5 H96.5 B2 N6.5 Ni2 O7 S2 | P -1 | 18.128; 20.224; 26.221 101.3; 104.07; 102.37 | 8790.67 | Catherine Belle; Catherine Bougault; Marie-Thérèse Averbuch; André Durif; Jean-Louis Pierre; Jean-Marc Latour; Laurent Le Pape Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes. Controlled Synthesis, Structural, Electronic, and Magnetic Properties of Dinuclear vs Mononuclear Species Journal of the American Chemical Society, 2001, 123, 8053-8066 |
4060000 | CIF | C42 H52 O6 | P 21 21 21 | 8.574; 15.235; 28.536 90; 90; 90 | 3727.6 | Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai Total Synthesis of Absinthin Journal of the American Chemical Society, 2005, 127, 18-19 |
4060001 | CIF | C34 H44 O8 | P 21 21 21 | 9.9596; 11.4051; 28.487 90; 90; 90 | 3235.8 | Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai Total Synthesis of Absinthin Journal of the American Chemical Society, 2005, 127, 18-19 |
4060002 | CIF | C28 H18 F4 N6 Pt2 | P -1 | 9.081; 12.134; 13.362 73.149; 71.641; 68.191 | 1272.2 | Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society, 2005, 127, 28-29 |
4060003 | CIF | C32 H26 F4 N6 Pt2 | P -1 | 10.157; 10.574; 15.057 103.412; 100.633; 101.514 | 1495.6 | Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society, 2005, 127, 28-29 |
4060004 | CIF | C38 H38 F4 N6 Pt2 | P 1 21/n 1 | 10.0382; 20.024; 17.864 90; 97.633; 90 | 3558.9 | Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society, 2005, 127, 28-29 |
4060005 | CIF | C44 H50 F4 N6 Pt2 | P 1 21/n 1 | 18.549; 10.512; 21.43 90; 101.912; 90 | 4088.7 | Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society, 2005, 127, 28-29 |
4060006 | CIF | C21 H22 B F2 N5 Pt | P -1 | 8.5663; 9.4344; 12.8913 90.838; 95.492; 97.262 | 1028.37 | Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society, 2005, 127, 28-29 |
4060007 | CIF | C17 H21 F6 N3 S | P c c n | 17.8302; 23.4425; 9.1356 90; 90; 90 | 3818.5 | Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society, 2005, 127, 119-125 |
4060008 | CIF | C16 H19 N O5 | P 1 21 1 | 8.34; 11.15; 8.538 90; 106.8; 90 | 760 | Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society, 2005, 127, 119-125 |
4060009 | CIF | C20 H19 N O5 | P 1 21 1 | 11.367; 11.559; 26.73 90; 90.02; 90 | 3511 | Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society, 2005, 127, 119-125 |
4060010 | CIF | C21 H19 Br Cl3 N O5 | P 21 21 21 | 8.509; 11.225; 23.33 90; 90; 90 | 2228 | Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society, 2005, 127, 119-125 |
4060011 | CIF | C69 H67 Cl O18 | P -1 | 14.09; 15.066; 18.405 70.22; 87.22; 84.14 | 3656.88 | Taizoon Canteenwala; Prashant A. Padmawar; Long Y. Chiang Intense Near-Infrared Optical Absorbing Emerald Green [60]Fullerenes Journal of the American Chemical Society, 2005, 127, 26-27 |
4060012 | CIF | C34 H16 B2 F24 O4 | P -1 | 9.796; 12.566; 15.497 71.611; 86.79; 83.47 | 1798.1 | Stewart P. Lewis; Lee D. Henderson; Brett D. Chandler; Masood Parvez; Warren E. Piers; Scott Collins Aqueous Suspension Polymerization of Isobutene Initiated by 1,2-C6F4[B(C6F5)2]2 Journal of the American Chemical Society, 2005, 127, 46-47 |
4060013 | CIF | C24 H27 N O6 | P 1 21 1 | 11.615; 6.6412; 14.076 90; 95.389; 90 | 1081 | Jian Huang; Richard P. Hsung Chiral Lewis Acid-Catalyzed Highly Enantioselective [4 + 3] Cycloaddition Reactions of Nitrogen-Stabilized Oxyallyl Cations Derived from Allenamides Journal of the American Chemical Society, 2005, 127, 50-51 |
4060014 | CIF | C34 H59 Ce | P 1 21/n 1 | 9.2454; 34.141; 10.872 90; 109.476; 90 | 3235.5 | Laurent Maron; Evan L. Werkema; Lionel Perrin; Odile Eisenstein; Richard A. Andersen Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies Journal of the American Chemical Society, 2005, 127, 279-292 |
4060015 | CIF | C40 H58 Ce F5 | P -1 | 10.14; 12.213; 15.632 85.86; 81.146; 78.336 | 1871.7 | Maron, Laurent; Werkema, Evan L.; Perrin, Lionel; Eisenstein, Odile; Andersen, Richard A. Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies Journal of the American Chemical Society, 2005, 127, 279-292 |
4060016 | CIF | C25 H55 Hf P Si6 | P b c n | 16.487; 22.667; 18.672 90; 90; 90 | 6978 | Roland Fischer; Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner Synthesis of a Hafnocene Disilene Complex Journal of the American Chemical Society, 2005, 127, 70-71 |
4060017 | CIF | C10.17 H11 Cl0.25 N O P2 | R -3 :H | 21.5254; 21.5254; 14.173 90; 90; 120 | 5687.2 | Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V. Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^ Journal of the American Chemical Society, 2005, 127, 331-336 |
4060018 | CIF | C14 H15 N O5 P2 W | P b c a | 8.6521; 17.2931; 23.187 90; 90; 90 | 3469.3 | Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V. Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^ Journal of the American Chemical Society, 2005, 127, 331-336 |
4060019 | CIF | C13 H15 Br N O4 P2 Re | P 21 21 21 | 6.5297; 13.6202; 19.8064 90; 90; 90 | 1761.5 | Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V. Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^ Journal of the American Chemical Society, 2005, 127, 331-336 |
4060020 | CIF | Gd5 Ge1.95 Si2.05 | P n m a | 7.5359; 14.847; 7.8287 90; 90; 90 | 875.9 | Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller On the High-Temperature Phase Transition of Gd5Si2Ge2 Journal of the American Chemical Society, 2005, 127, 317-324 |
4060021 | CIF | Gd5 Ge1.99 Si2.02 | P 1 1 21/a | 7.5856; 14.81; 7.7855 90; 90; 93.223 | 873.26 | Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller On the High-Temperature Phase Transition of Gd5Si2Ge2 Journal of the American Chemical Society, 2005, 127, 317-324 |
4060193 | CIF | C30 H22 N6 O2 | P 1 21/n 1 | 16.046; 7.434; 20.025 90; 100.42; 90 | 2349.3 | Tomasz Fekner; Judith Gallucci; Michael K. Chan Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands Journal of the American Chemical Society, 2004, 126, 223-236 |
4060194 | CIF | C30 H20 N6 Ni O2 | P n m a | 17.985; 26.557; 12.191 90; 90; 90 | 5823 | Tomasz Fekner; Judith Gallucci; Michael K. Chan Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands Journal of the American Chemical Society, 2004, 126, 223-236 |
4060195 | CIF | C32 H24 N6 Ni O4 | P -1 | 8.082; 11.956; 13.813 84.49; 89.44; 72.38 | 1266 | Tomasz Fekner; Judith Gallucci; Michael K. Chan Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands Journal of the American Chemical Society, 2004, 126, 223-236 |
4060196 | CIF | C96 H78 Cl6 N12 Ni2 O9 | P -1 | 14.017; 15.085; 21.778 99.55; 108.7; 93.39 | 4270.1 | Tomasz Fekner; Judith Gallucci; Michael K. Chan Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands Journal of the American Chemical Society, 2004, 126, 223-236 |
4060197 | CIF | C23 H30 Co4 O14 Yb | P b c a | 16.3884; 19.5173; 19.9185 90; 90; 90 | 6371.1 | Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays Journal of the American Chemical Society, 2004, 126, 204-213 |
4060198 | CIF | C23 H30 Co4 Eu O14 | P b c a | 16.3813; 19.7197; 20.0949 90; 90; 90 | 6491.3 | Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays Journal of the American Chemical Society, 2004, 126, 204-213 |
4060199 | CIF | C23 H28 Co4 O14 Yb | P 1 21/n 1 | 11.1607; 16.3616; 17.4351 90; 97.108; 90 | 3159.3 | Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays Journal of the American Chemical Society, 2004, 126, 204-213 |
4060200 | CIF | C31 H40 Co4 Eu O16 | C 2 2 21 | 12.4723; 17.2458; 18.0452 90; 90; 90 | 3881.4 | Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays Journal of the American Chemical Society, 2004, 126, 204-213 |
4060201 | CIF | C31 H29 N4 O2 | C 1 2/c 1 | 37.16; 6.127; 24.091 90; 111.392; 90 | 5106.8 | Shinsuke Hiraoka; Toshihiro Okamoto; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation Journal of the American Chemical Society, 2004, 126, 58-59 |
4060202 | CIF | C32 H31 Cl3 N4 O6 | P -1 | 10.2817; 11.2323; 15.539 80.704; 77.666; 64.483 | 1577.2 | Shinsuke Hiraoka; Toshihiro Okamoto; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation Journal of the American Chemical Society, 2004, 126, 58-59 |
4060203 | CIF | C27 H27 F5 I N O | P -1 | 5.477; 11.963; 19.287 95.137; 93.217; 96.157 | 1248.6 | H. Loc Nguyen; Peter N. Horton; Michael B. Hursthouse; Anthony C. Legon; Duncan W. Bruce Halogen Bonding: A New Interaction for Liquid Crystal Formation Journal of the American Chemical Society, 2004, 126, 16-17 |
4060204 | CIF | C7 H14 Cl N3 O4 | P 21 21 21 | 5.2258; 8.7007; 22.97 90; 90; 90 | 1044.42 | Chekmenev, Eduard Y.; Zhang, Qianwen; Waddell, Kevin W.; Mashuta, Mark S.; Wittebort, Richard J. 15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure Journal of the American Chemical Society, 2004, 126, 379-384 |
4060205 | CIF | C9 H18 Cl N3 O4 | P 21 21 21 | 6.989; 8.2684; 21.834 90; 90; 90 | 1261.8 | Chekmenev, Eduard Y.; Zhang, Qianwen; Waddell, Kevin W.; Mashuta, Mark S.; Wittebort, Richard J. 15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure Journal of the American Chemical Society, 2004, 126, 379-384 |
4060206 | CIF | C33 H44 N6 O19 S4 | P -1 | 13.6343; 14.1508; 23.889 86.844; 82.792; 71.115 | 4325.9 | Lara A. Estroff; Christopher D. Incarvito; Andrew D. Hamilton Design of a Synthetic Foldamer that Modifies the Growth of Calcite Crystals Journal of the American Chemical Society, 2004, 126, 2-3 |
4060207 | CIF | C24 H19 N8 | P -1 | 7.7607; 10.097; 13.895 89; 84.063; 70.988 | 1023.6 | Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3 Journal of the American Chemical Society, 2004, 126, 291-294 |
4060208 | CIF | C24 H19 N8 | P -1 | 7.8164; 10.3585; 14.02 88; 83.944; 69.911 | 1060 | Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3 Journal of the American Chemical Society, 2004, 126, 291-294 |
4060209 | CIF | C24 H19 N8 | P -1 | 7.8153; 10.186; 14.02 89; 84.021; 70.743 | 1047.51 | Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3 Journal of the American Chemical Society, 2004, 126, 291-294 |
4060210 | CIF | C24 H19 N8 | P -1 | 7.851; 10.454; 14.074 88; 83.455; 69.668 | 1075.8 | Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3 Journal of the American Chemical Society, 2004, 126, 291-294 |
4060211 | CIF | C28 H44 Cl2 P2 Zr | P 1 21/c 1 | 9.1306; 13.241; 24.7714 90; 94.356; 90 | 2986.2 | Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization Journal of the American Chemical Society, 2004, 126, 42-43 |
4060212 | CIF | C60.5 H56 Si Zr | P -1 | 12.3585; 12.4741; 16.6548 95.175; 95.375; 113.504 | 2321.16 | Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization Journal of the American Chemical Society, 2004, 126, 42-43 |
4060213 | CIF | C22 H30 Zr | P 1 21/n 1 | 26.7687; 8.7564; 8.0887 90; 91.063; 90 | 1895.64 | Noriyuki Suzuki; Naoto Aihara; Hidemichi Takahara; Takaaki Watanabe; Masakazu Iwasaki; Masahiko Saburi; Daisuke Hashizume; Teiji Chihara Synthesis and Structure of 1-Zirconacyclopent-3-yne Complexes without Substituents Adjacent to the Triple Bond Journal of the American Chemical Society, 2004, 126, 60-61 |
4060214 | CIF | C27 H33 P Zr2 | P 1 21/c 1 | 10.5259; 33.0858; 8.2256 90; 105.661; 90 | 2758.28 | Noriyuki Suzuki; Naoto Aihara; Hidemichi Takahara; Takaaki Watanabe; Masakazu Iwasaki; Masahiko Saburi; Daisuke Hashizume; Teiji Chihara Synthesis and Structure of 1-Zirconacyclopent-3-yne Complexes without Substituents Adjacent to the Triple Bond Journal of the American Chemical Society, 2004, 126, 60-61 |
4060215 | CIF | C3.33 H4.67 Mn O4.67 | P 1 21/n 1 | 11.715; 10.248; 15.159 90; 91.81; 90 | 1819 | Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties Journal of the American Chemical Society, 2004, 126, 32-33 |
4060216 | CIF | C2 H2 Mn O4 | P 1 21/n 1 | 11.7203; 10.207; 14.9556 90; 91.439; 90 | 1788.6 | Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties Journal of the American Chemical Society, 2004, 126, 32-33 |
4060217 | CIF | C2 H2 Mn O4 | P n a 21 | 12.8962; 8.3888; 11.6442 90; 90; 90 | 1259.7 | Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties Journal of the American Chemical Society, 2004, 126, 32-33 |
4062739 | CIF | C28 H30 F12 Fe4 O2 P2 | P n m a | 14.903; 10.168; 20.654 89; 89; 90 | 3129 | Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction Journal of the American Chemical Society, 2004, 126, 4104-4105 |
4062742 | CIF | C56 H60 Fe8 O4 | P 1 21/c 1 | 9.353; 15.634; 32.792 90; 98.174; 90 | 4746 | Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction Journal of the American Chemical Society, 2004, 126, 4104-4105 |
4062792 | CIF | C38 H36 N P2 Rh | P -1 | 11.128; 11.1646; 13.098 84.261; 84.977; 80.62 | 1593.3 | Krug, Christopher; Hartwig, John F. Imine Insertion into a Late Metal–Carbon Bond To Form a Stable Amido Complex Journal of the American Chemical Society, 2004, 126, 2694-2695 |
4062793 | CIF | C61 H59 N2 O2 P2 Rh | P 1 21/c 1 | 20.443; 13.454; 20.069 90; 110.31; 90 | 5176.4 | Krug, Christopher; Hartwig, John F. Imine Insertion into a Late Metal‒Carbon Bond To Form a Stable Amido Complex Journal of the American Chemical Society, 2004, 126, 2694-2695 |
4062795 | CIF | C48 H44 N O P2 Rh | C 1 2/c 1 | 14.72; 29.946; 18.379 90; 98.62; 90 | 8010 | Krug, Christopher; Hartwig, John F. Imine Insertion into a Late Metal‒Carbon Bond To Form a Stable Amido Complex Journal of the American Chemical Society, 2004, 126, 2694-2695 |
4062964 | CIF | C20 H25 B F3 Mo N9 O4 S | P 1 21/n 1 | 19.2002; 12.8053; 23.2887 90; 110.996; 90 | 5345.7 | Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments Journal of the American Chemical Society, 2004, 126, 6806-6815 |
4100000 | CIF | C30 H36 N2 Ni O3 | P 1 21/n 1 | 18.0757; 16.097; 20.6888 90; 104.687; 90 | 5823 | Journal of the American Chemical Society, 2005 |
4100001 | CIF | C14 H25 Cl N2 Ni | P n a 21 | 11.0032; 9.6385; 14.3586 90; 90; 90 | 1522.8 | Journal of the American Chemical Society, 2005 |
4100002 | CIF | C14 H25 Br N2 Ni | P n a 21 | 11.2997; 9.7379; 14.7603 90; 90; 90 | 1624.2 | Journal of the American Chemical Society, 2005 |
4100003 | CIF | C24 H24 N2 Ni O3 | P -1 | 7.7145; 8.3682; 19.411 78.551; 88.502; 69.455 | 1148.8 | Journal of the American Chemical Society, 2005 |
4100004 | CIF | C24 H26 N2 Ni O3 | P 1 21/n 1 | 18.275; 16.387; 31.1987 90; 90.476; 90 | 9342.8 | Journal of the American Chemical Society, 2005 |
4100005 | CIF | C30 H38 N2 Ni O3 | P 1 21/c 1 | 8.94; 20.5564; 16.0631 90; 105.736; 90 | 2841.3 | Journal of the American Chemical Society, 2005 |
4100006 | CIF | C86 H86 Fe2 N8 O10 P2 | C 1 2/c 1 | 13.649; 25.077; 22.742 90; 91.952; 90 | 7779 | Journal of the American Chemical Society, 2005 |
4100007 | CIF | C97 H98 F3 Fe2 N8 O13.5 P2 | P -1 | 14.084; 15.38; 24.082 97.723; 100.09; 117.146 | 4431.4 | Journal of the American Chemical Society, 2005 |
4100008 | CIF | C22 H41 B2 O4 Rh | P -1 | 7.3844; 15.64; 22.541 105.37; 96.51; 91.82 | 2488.8 | Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B. Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes Journal of the American Chemical Society, 2005 |
4100009 | CIF | C28 H52 B3 O6 Rh | P -1 | 13.798; 14.718; 17.139 73.3; 89.38; 78.95 | 3268.1 | Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B. Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes Journal of the American Chemical Society, 2005 |
4100010 | CIF | C39.5 H55 B O2 P Rh | P -1 | 10.43; 11.785; 17.455 74.18; 87.53; 66.22 | 1883.6 | Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B. Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes Journal of the American Chemical Society, 2005 |
4100011 | CIF | C28 H54 B2 O4 P Rh | P 1 21/c 1 | 18.496; 20.128; 19.179 90; 116.33; 90 | 6399 | Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B. Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes Journal of the American Chemical Society, 2005 |
4100012 | CIF | C26 H42 Si2 | P -1 | 7.2615; 8.7028; 11.485 104.878; 100.648; 98.4852 | 674.7 | Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; . Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties Journal of the American Chemical Society, 2005 |
4100013 | CIF | C28 H42 Si2 | C 1 2/c 1 | 21.699; 7.8425; 16.242 90; 90.184; 90 | 2764 | Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; . Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties Journal of the American Chemical Society, 2005 |
4100014 | CIF | C30 H42 Si2 | P 1 21/c 1 | 8.2757; 13.4444; 13.9444 90; 97.7225; 90 | 1537.4 | Eisler, Sara; Slepkov, Aaron D.; Elliott, Erin; Luu, Thanh; McDonald, Robert; Hegmann, Frank A.; Tykwinski, Rik R. Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties Journal of the American Chemical Society, 2005 |
4100015 | CIF | C34 H42 Si2 | P -1 | 7.6441; 12.485; 18.3 70.701; 82.758; 80.5 | 1620.9 | Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; . Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties Journal of the American Chemical Society, 2005 |
4100016 | CIF | C27 H24 N O2 P | P 1 21/n 1 | 9.7619; 10.3789; 21.056 90; 95.506; 90 | 2123.5 | Journal of the American Chemical Society, 2005 |
4100017 | CIF | C18 H24 O3 | P -1 | 9.932; 18.201; 8.7778 99.675; 90.281; 99.129 | 1543.7 | Journal of the American Chemical Society, 2005 |
4100018 | CIF | C23 H31 N O3 | P 21 21 21 | 6.0537; 17.481; 19.469 90; 90; 90 | 2060.3 | Xia, Wujiong; Yang, Chao; Patrick, Brian O.; Scheffer, John R.; Scott, Carl Journal of the American Chemical Society, 2005 |
4100019 | CIF | C22 H17 Fe N3 O | P 1 21/c 1 | 10.437; 18.322; 11.697 90; 121.391; 90 | 1909.38 | Liao, Yi; Kaminsky, Werner Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores Journal of the American Chemical Society, 2005 |
4100020 | CIF | C30 H25 Cl4 Fe N3 O S | P -1 | 10.003; 11.271; 14.935 70.166; 89.948; 76.818 | 1536.82 | Liao, Yi; Robinson, Bruce; Kaminsky, Werner; Benedict, Jason Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores Journal of the American Chemical Society, 2005 |
4100021 | CIF | C27.2 H16.39 Cl0.39 F3 Fe N3 O | P -1 | 13.47; 14.161; 14.661 73.342; 64.348; 68.832 | 2322.4 | Liao, Yi; Robinson, Bruce; Kaminsky, Werner Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores Journal of the American Chemical Society, 2005 |
4100022 | CIF | C34 H22 Cl2 F3 Fe N3 O S | C 1 2/c 1 | 28.041; 15.294; 19.322 90; 131.96; 90 | 6161.9 | Liao, Yi; Robinson, Bruce; Kaminsky, Werner; Benedict, Jason Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores Journal of the American Chemical Society, 2005 |
4100023 | CIF | C23 H33 B2 Cl2 F3 N4 O3 S | P 1 21 1 | 8.257; 8.37; 21.383 90; 100.054; 90 | 1455.1 | Journal of the American Chemical Society, 2005 |
4100024 | CIF | C40 H52 B2 N4 O5 W | P 1 21/n 1 | 12.506; 20.434; 16.308 90; 106.907; 90 | 3987.3 | Journal of the American Chemical Society, 2005 |
4100025 | CIF | C29 H46 B2 N4 | F d d 2 | 17.75; 41.914; 7.9239 90; 90; 90 | 5895.2 | Journal of the American Chemical Society, 2005 |
4100026 | CIF | C29 H47 N O4 | C 1 2 1 | 15.856; 9.4706; 20.2922 90; 112.441; 90 | 2816.4 | Palomo, Claudio; Oiarbide, Mikel; Kardak, Bharat G.; García, Jesús; Linden, Anthony α'-Hydoxy Enones as New Templates for Cu(II)-Catalyzed Enantioselective Pyrrole and Indole Friedel-Crafts Alkylations Journal of the American Chemical Society, 2005 |
4100027 | CIF | C50 H78 Sm2 | P 1 21/c 1 | 11.3456; 21.6734; 19.3685 90; 101.026; 90 | 4674.8 | Journal of the American Chemical Society, 2005 |
4100028 | CIF | C35 H36 Co O2 P S Si | P 1 21/n 1 | 9.978; 17.896; 18.049 90; 93.665; 90 | 3216.3 | Journal of the American Chemical Society, 2005 |
4100029 | CIF | C24 H24 Co2 S2 | C 1 2 1 | 17.381; 5.8345; 11.3055 90; 112.239; 90 | 1061.2 | Journal of the American Chemical Society, 2005 |
4100030 | CIF | C35 H36 Co O P S Si | P -1 | 9.0966; 10.7124; 17.936 74.952; 89.251; 75.278 | 1629.8 | Journal of the American Chemical Society, 2005 |
4100031 | CIF | C66 H86 N6 O10 S2 | C 1 c 1 | 20.4171; 16.487; 18.8953 90; 91.321; 90 | 6358.8 | Journal of the American Chemical Society, 2005 |
4100032 | CIF | C32 H39 Cl2 N3 O4 | P 1 21/n 1 | 9.537; 26.9572; 12.3589 90; 109.968; 90 | 2986.35 | Journal of the American Chemical Society, 2005 |
4100033 | CIF | C17 H10 Cl F4 N3 | P 1 21/n 1 | 13.958; 7.5579; 15.236 90; 114.6; 90 | 1461.4 | Journal of the American Chemical Society, 2005 |
4100034 | CIF | C17 H10 Cl F4 N3 | P -1 | 6.8075; 9.0631; 13.4888 70.863; 78.833; 75.604 | 755.8 | Journal of the American Chemical Society, 2005 |
4100035 | CIF | C19 H13 F4 N | P n m a | 7.5926; 12.408; 15.483 90; 90; 90 | 1458.7 | Journal of the American Chemical Society, 2005 |
4100036 | CIF | C18 H12 F4 N2 | P -1 | 7.711; 11.939; 15.819 91.697; 90.421; 98.628 | 1439.1 | Journal of the American Chemical Society, 2005 |
4100037 | CIF | C17 H13 F3 O5 S | P -1 | 8.546; 9.43; 11.165 73.016; 82.571; 81.014 | 846.6 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100038 | CIF | C20 H23 O6 P | P 21 21 21 | 10.033; 11.953; 16.295 90; 90; 90 | 1954.2 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100039 | CIF | C15 H12 Br2 O | P n m a | 7.334; 19.543; 9.082 90; 90; 90 | 1301.7 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100040 | CIF | C29 H31 F6 K O8 | P b c a | 13.91; 19.228; 23.515 90; 90; 90 | 6289.4 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100041 | CIF | C24 H23 B N2 O2 | P 1 21/n 1 | 16.378; 7.467; 16.966 90; 105.007; 90 | 2004.1 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100042 | CIF | C20 H25 B N2 | P 1 21/n 1 | 10.726; 12.542; 13.08 90; 91.437; 90 | 1759.04 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100043 | CIF | C18 H19 B Cl2 N2 | P 1 21/n 1 | 12.777; 12.551; 10.72 90; 90.546; 90 | 1719 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100044 | CIF | C22 H17 B O4 | P 1 21/a 1 | 11.962; 7.228; 20.281 90; 100.49; 90 | 1724.21 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100045 | CIF | C23 H19 B O5 | P c a 21 | 9.867; 14.292; 14.081 90; 90; 90 | 1985.7 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100046 | CIF | C22 H17 B O2 S2 | P n m a | 8.493; 14.313; 15.954 90; 90; 90 | 1939.4 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100047 | CIF | C18 H19 B O4 | P 1 21/n 1 | 18.729; 13.177; 21.8 90; 111.059; 90 | 5020.7 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100048 | CIF | C16 H13 B F2 O2 | P n a 21 | 12.187; 6.823; 32.524 90; 90; 90 | 2704.4 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100049 | CIF | C16 H13 B Cl2 O2 | P m n 21 | 6.95; 9.08; 11.323 90; 90; 90 | 714.55 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100050 | CIF | C16 H14 O2 | P 1 21/c 1 | 6.642; 12.169; 15.118 90; 91.913; 90 | 1221.3 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100051 | CIF | C14 H7 Br3 | P 1 21/c 1 | 10.153; 7.248; 17.358 90; 106.064; 90 | 1227.48 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100052 | CIF | C17 H13 N O2 | I 41/a :2 | 25.057; 25.057; 8.371 90; 90; 90 | 5255.8 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100053 | CIF | C19 H20 B2 F7 O4 | P 1 21/c 1 | 10.981; 14.701; 13.43 90; 107.81; 90 | 2064.2 | Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society, 2005, 127, 4354-4371 |
4100054 | CIF | C18 H42 Ni Si4 | C 1 2/c 1 | 16.537; 12.438; 12.723 90; 90.155; 90 | 2617 | Journal of the American Chemical Society, 2005 |
4100055 | CIF | C18 H42 Ni Si4 | C 1 2/c 1 | 10.969; 19.144; 12.491 90; 103.151; 90 | 2554.1 | Journal of the American Chemical Society, 2005 |
4100056 | CIF | C18 H42 Ni Si4 | P 1 21/c 1 | 12.364; 10.2697; 21.0044 90; 99.389; 90 | 2631.3 | Journal of the American Chemical Society, 2005 |
4100057 | CIF | C18 H42 Br2 Ni2 Si4 | C 1 2/c 1 | 14.819; 23.37; 11.251 90; 130.197; 90 | 2976 | Journal of the American Chemical Society, 2005 |
4100058 | CIF | C18 H42 I2 Ni2 Si4 | C 2 2 21 | 16.448; 19.038; 19.669 90; 90; 90 | 6159 | Journal of the American Chemical Society, 2005 |
4100059 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.7634; 12.8715; 13.466 84.967; 87.007; 80.751 | 1832.9 | Journal of the American Chemical Society, 2005 |
4100060 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.774; 12.901; 13.481 84.828; 86.932; 80.859 | 1841 | Journal of the American Chemical Society, 2005 |
4100061 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.7902; 12.9099; 13.4876 84.719; 86.876; 80.733 | 1844.9 | Journal of the American Chemical Society, 2005 |
4100062 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.8075; 12.9228; 13.4987 84.676; 86.905; 80.678 | 1850.9 | Journal of the American Chemical Society, 2005 |
4100063 | CIF | C24 H36 Cs N3 Ni O9 S10 | P -1 | 10.81; 12.929; 13.526 84.43; 86.974; 80.52 | 1854.5 | Journal of the American Chemical Society, 2005 |
4100064 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.821; 12.935; 13.566 84.37; 87.094; 80.51 | 1862.6 | Journal of the American Chemical Society, 2005 |
4100065 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.804; 12.906; 13.573 84.226; 87.3; 80.552 | 1856.5 | Journal of the American Chemical Society, 2005 |
4100066 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.798; 12.928; 13.642 84.02; 87.631; 80.447 | 1867.2 | Journal of the American Chemical Society, 2005 |
4100067 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.802; 12.956; 13.709 83.92; 87.898; 80.611 | 1881.8 | Journal of the American Chemical Society, 2005 |
4100068 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.774; 12.977; 13.751 84.03; 88.06; 80.62 | 1886.3 | Journal of the American Chemical Society, 2005 |
4100069 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.782; 13.05; 13.818 84.03; 87.93; 80.58 | 1907.3 | Journal of the American Chemical Society, 2005 |
4100070 | CIF | C24 H36 Cs Ni O9 S10 | P -1 | 10.787; 13.061; 13.808 83.94; 88.09; 80.613 | 1908.4 | Journal of the American Chemical Society, 2005 |
4100071 | CIF | C24 H40 Fe N2 S4 | P 1 21/n 1 | 7.3798; 13.422; 13.582 90; 100.51; 90 | 1322.7 | Journal of the American Chemical Society, 2005 |
4100072 | CIF | C47 H58 As Co S4 | P 1 21/c 1 | 11.4045; 13.0763; 31.143 90; 93.2; 90 | 4637.1 | Journal of the American Chemical Society, 2005 |
4100073 | CIF | C35 H36 Co O P S Si | P 1 21/n 1 | 9.9942; 9.5495; 33.038 90; 95.405; 90 | 3139.1 | Journal of the American Chemical Society, 2005 |
4100074 | CIF | C1.65 H10 N0.82 O5.24 Se U0.59 | I 2 m m | 10.8864; 29.532; 47.439 90; 90; 90 | 15251.5 | Journal of the American Chemical Society, 2005 |
4100075 | CIF | C12 H14 Br N O2 | P 1 21 1 | 7.7697; 5.6329; 13.56 90; 100.345; 90 | 583.8 | Journal of the American Chemical Society, 2005 |
4100076 | CIF | C61 H58 B Cr F24 N2 O Si | P 1 21/c 1 | 13.628; 25.586; 18.371 90; 90.579; 90 | 6405.4 | Journal of the American Chemical Society, 2005 |
4100077 | CIF | C22 H8 Cr2 Fe N2 O10 | P 1 21/n 1 | 6.6386; 18.4782; 19.224 90; 97.679; 90 | 2337 | Siemeling, Ulrich; Rother, Dag; Fink, Heinrich Journal of the American Chemical Society, 2005 |
4100078 | CIF | C12 H8 Au2 Cl2 Fe N2 | P 1 21/n 1 | 6.48; 9.274; 23.403 90; 94.18; 90 | 1402.7 | Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens Journal of the American Chemical Society, 2005 |
4100079 | CIF | C4 H3 F N2 O2 | P -1 | 8.6329; 9.156; 12.5796 99.119; 100.021; 90.017 | 966.4 | Hulme, Ashley T.; Tocher, Derek A. Journal of the American Chemical Society, 2005 |
4100080 | CIF | C4 H3 F N2 O2 | P 1 21/c 1 | 5.154; 15.001; 6.654 90; 110.336; 90 | 482.4 | Hulme, Ashley T.; Tocher, Derek A. Journal of the American Chemical Society, 2005 |
4100081 | CIF | C4 H3 F N2 O2 | P 1 21/c 1 | 5.0433; 14.935; 6.6049 90; 108.884; 90 | 470.72 | Hulme, Ashley T.; Tocher, Derek A. Journal of the American Chemical Society, 2005 |
4100082 | CIF | C32 H62 Li N2 O2 Pr S2 Si4 | P -1 | 8.693; 11.595; 22.719 103.694; 95.94; 90.653 | 2211.4 | Journal of the American Chemical Society, 2005 |
4100083 | CIF | C78 H118 Cl Li N4 Nd4 S8 Si8 | C 1 2/c 1 | 18.305; 24.227; 24.326 90; 98.52; 90 | 10669.3 | Journal of the American Chemical Society, 2005 |
4100084 | CIF | C52 H100 Cl5 Li N4 O S4 Si8 Sm4 | P -1 | 13.7062; 17.0964; 19.882 75.817; 83.698; 77.496 | 4401.8 | Journal of the American Chemical Society, 2005 |
4100085 | CIF | C48 H120 Cl4 Li2 N4 O6 Pr2 Si8 | P -1 | 12.201; 13.088; 15.082 101.45; 106.858; 114.631 | 1948.8 | Journal of the American Chemical Society, 2005 |
4100086 | CIF | C40 H104 Cl4 Li2 N4 O4 Si8 Sm2 | P 1 21/n 1 | 13.1658; 19.81; 13.5111 90; 94.19; 90 | 3514.5 | Journal of the American Chemical Society, 2005 |
4100087 | CIF | C64 H124 Cl Co N13 O31 P | P 21 21 21 | 29.486; 29.833; 37.579 90; 90; 90 | 33057 | Journal of the American Chemical Society, 2005 |
4100088 | CIF | C64 H127 Co N13 O32 P | P 21 21 21 | 15.806; 22.471; 25.338 90; 90; 90 | 8999 | Properties and Reactivity of Chlorovinylcobalamin and Vinylcobalamin and Their Implications for Vitamin B~12~-Catalyzed Reductive Dechlorination of Chlorinated Alkenes Journal of the American Chemical Society, 2005 |
4100089 | CIF | C9 H18 O6 | P 1 21/c 1 | 13.788; 10.664; 7.894 90; 91.77; 90 | 1160.1 | Journal of the American Chemical Society, 2005 |
4100090 | CIF | C25 H36 N14 O13 Pt S | P 1 21 1 | 10.838; 31.965; 11.817 90; 112.987; 90 | 3769 | Journal of the American Chemical Society, 2005 |
4100091 | CIF | C25 H44 N14 O14 Pt S | P -1 | 10.3067; 13.3068; 15.1285 78.244; 82.033; 70.672 | 1911.2 | Barry, Colin G.; Day, Cynthia S.; Bierbach, Ulrich Duplex Promoted Platination of Adenine-N3 in the Minor Groove of DNA. Challenging a Longstanding Bioinorganic Paradigm Journal of the American Chemical Society, 2005 |
4100092 | CIF | C40 H52 N4 Ni | P -1 | 16.812; 20.01; 21.378 94.557; 97.004; 109.382 | 6677.7 | Song, Yujiang; Haddad, Raid E.; Jia, Song-Ling; Hok, Saphon; Olmstead, Marilyn M.; Nurco, Daniel J.; Schore, Neal E.; Zhang, Jun; Ma, Jian-Guo; Smith, Kevin M.; Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude; Medforth, Craig J.; Shelnutt, John A. Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins Journal of the American Chemical Society, 2005, 127, 1179-1192 |
4100093 | CIF | C40 H52 N4 Ni | P -1 | 8.4141; 13.293; 15.281 82.965; 81.68; 88.189 | 1678.3 | Song, Yujiang; Haddad, Raid E.; Jia, Song-Ling; Hok, Saphon; Olmstead, Marilyn M.; Nurco, Daniel J.; Schore, Neal E.; Zhang, Jun; Ma, Jian-Guo; Smith, Kevin M.; Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude; Medforth, Craig J.; Shelnutt, John A. Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins Journal of the American Chemical Society, 2005, 127, 1179-1192 |
4100094 | CIF | C14 H16 O3 | P 1 21/n 1 | 14.931; 9.77; 14.931 90; 90.94; 90 | 2177.8 | Journal of the American Chemical Society, 2005 |
4100095 | CIF | C14 H16 O3 | P 21 21 21 | 7.0339; 9.7592; 16.0454 90; 90; 90 | 1101.4 | Journal of the American Chemical Society, 2005 |
4100096 | CIF | C14 H16 O2 | P 1 21/c 1 | 8.1004; 10.1648; 13.3393 90; 98.399; 90 | 1086.6 | Journal of the American Chemical Society, 2005 |
4100097 | CIF | C14 H20 O3 | P 1 21/c 1 | 12.7483; 8.5538; 11.2196 90; 96.766; 90 | 1214.9 | Journal of the American Chemical Society, 2005 |
4100098 | CIF | C21 H22 N2 O9 | P -1 | 6.5607; 12.2817; 25.088 88.583; 87.417; 82.263 | 2000.7 | Journal of the American Chemical Society, 2005 |
4100099 | CIF | C15 H19 N O3 S | P 21 21 21 | 8.3728; 10.2615; 18.297 90; 90; 90 | 1572 | Journal of the American Chemical Society, 2005 |
4100100 | CIF | C17 H21 N O3 | C 1 c 1 | 14.856; 9.209; 12.593 90; 110.039; 90 | 1618.5 | Journal of the American Chemical Society, 2005 |
4100101 | CIF | C15 H26 Cl N O | P 1 21 1 | 7.8777; 7.7795; 13.672 90; 102.036; 90 | 819.5 | Journal of the American Chemical Society, 2005 |
4100102 | CIF | C58 H70 Cl8 Fe2 P2 Pd2 | P 1 21 1 | 13.5209; 15.1921; 15.0232 90; 108.483; 90 | 2926.7 | Journal of the American Chemical Society, 2005 |
4100103 | CIF | C184 H150 Cl10 N44 O46 | P 1 21/c 1 | 27.8066; 14.6508; 44.3633 90; 91.67; 90 | 18065.4 | Journal of the American Chemical Society, 2005 |
4100104 | CIF | C17 H19 S | P 1 21/c 1 | 31.075; 7.395; 5.866 90; 93.97; 90 | 1344.8 | Journal of the American Chemical Society, 2005 |
4100105 | CIF | C22 H14 S2 | P c c n | 34.243; 7.5118; 6.0908 90; 90; 90 | 1566.7 | Journal of the American Chemical Society, 2005 |
4100106 | CIF | C17 H17 Cl N2 O2 | P 21 21 21 | 15.141; 16.7; 6.269 90; 90; 90 | 1585.2 | Hideko Koshima Journal of the American Chemical Society, 2005 |
4100107 | CIF | C70 H90 N4 | P -1 | 11.2352; 11.5362; 13.4393 65.127; 71.281; 79.797 | 1494.92 | Jeremiah A Marsden; MIke M. Haley; Fusen Han Journal of the American Chemical Society, 2005 |
4100108 | CIF | C54 H54 N4 O4 | P -1 | 13.001; 13.594; 14.847 112.913; 90.637; 103.57 | 2334.1 | Jeremiah A Marsden; MIke M. Haley; Fusen Han Journal of the American Chemical Society, 2005 |
4100109 | CIF | C33 H36 N3 Rh | P 1 21/c 1 | 11.4645; 17.7575; 13.7191 90; 92.69; 90 | 2789.9 | Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J. Journal of the American Chemical Society, 2005 |
4100110 | CIF | C68 H75 Ag2 B2 F8 N7 Rh2 | P -1 | 13.552; 16.2471; 16.6517 77.66; 68.107; 71.664 | 3209.8 | Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J. Journal of the American Chemical Society, 2005 |
4100111 | CIF | C38 H39 Ag3 F9 N4 O9 Rh S3 | P 1 21/c 1 | 21.9776; 10.6829; 21.8444 90; 113.597; 90 | 4699.9 | Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J. Journal of the American Chemical Society, 2005 |
4100112 | CIF | C22 H35 N O3 | P 21 21 21 | 6.6718; 12.839; 26.802 90; 90; 90 | 2295.8 | Journal of the American Chemical Society, 2005 |
4100113 | CIF | C80 H104 F6 N10 O15 | P 21 21 21 | 9.639; 23.908; 38.807 90; 90; 90 | 8943.3 | Journal of the American Chemical Society, 2005 |
4100114 | CIF | C24 H22 As F6 N2 O2 S12 | P -1 | 6.4102; 7.5058; 17.987 83.523; 86.529; 85.458 | 856.03 | Journal of the American Chemical Society, 2005 |
4100115 | CIF | C24 H22 As F6 N2 O2 S12 | P 1 | 6.3918; 7.502; 17.941 83.197; 86.638; 85.548 | 850.6 | Journal of the American Chemical Society, 2005 |
4100116 | CIF | C24 H22 As F6 N2 O2 S12 | P 1 | 6.3962; 7.4884; 17.94 83.13; 86.579; 85.52 | 849.41 | Journal of the American Chemical Society, 2005 |
4100117 | CIF | C38 H37 F3 O3 P2 Ru S | P 1 21 1 | 9.4151; 17.713; 10.369 90; 92.19; 90 | 1727.9 | Journal of the American Chemical Society, 2005 |
4100118 | CIF | C42 H46 F3 N O4 P2 Ru S | P -1 | 10.976; 11.496; 16.223 96.64; 102.89; 97.58 | 1955.7 | Journal of the American Chemical Society, 2005 |
4100119 | CIF | C54 H120 Co K O9 Si8 | P -1 | 14.263; 15.89; 16.205 93.177; 94.693; 95.974 | 3632.9 | Journal of the American Chemical Society, 2005 |
4100120 | CIF | C64 H136 Co K N2 O10 Si8 | P -1 | 12.974; 16.173; 20.167 91.686; 103.374; 100.456 | 4037.2 | Journal of the American Chemical Society, 2005 |
4100121 | CIF | C51 H82 B F4 N2 O1.5 P2 Ru | P -1 | 13.6055; 18.4233; 21.069 75.016; 83.936; 89.959 | 5071.1 | Journal of the American Chemical Society, 2005 |
4100122 | CIF | C21 H13 O5 P W | P n m a | 16.6552; 10.3703; 11.7614 90; 90; 90 | 2031.42 | Borst, Mark L. G.; Bulo, R. E.; Winkel, Christiaan W.; Gibney, Daniele J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop Phosphepines: Convenient Access to Phosphinidene Complexes Journal of the American Chemical Society, 2005 |
4100123 | CIF | C23 H18 Mn O2 P | P 1 21/m 1 | 8.8819; 10.268; 10.9361 90; 108.66; 90 | 944.939 | Journal of the American Chemical Society, 2005 |
4100124 | CIF | ? | P 1 21/n 1 | 14.459; 11.522; 19.651 90; 109.542; 90 | 3085.2 | Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand Journal of the American Chemical Society, 2005, 127, 5893-5901 |
4100125 | CIF | ? | P b c n | 11.89; 14.086; 17.87 90; 90; 90 | 2992.9 | Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand Journal of the American Chemical Society, 2005, 127, 5893-5901 |
4100126 | CIF | ? | P -1 | 11.514; 15.328; 18.531 78.168; 78.935; 79.867 | 3109.6 | Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand Journal of the American Chemical Society, 2005, 127, 5893-5901 |
4100127 | CIF | ? | P -1 | 11.335; 11.064; 13.066 101.128; 102.83; 102.734 | 1507.1 | Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand Journal of the American Chemical Society, 2005, 127, 5893-5901 |
4100128 | CIF | C35 H31 Cl O8 | C 1 2/c 1 | 15.062; 20.078; 11.413 90; 114.277; 90 | 3146.2 | Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand Journal of the American Chemical Society, 2005, 127, 5893-5901 |
4100129 | CIF | C29 F8 O4 P | P b c n | 12.73; 14.609; 17.689 90; 90; 90 | 3289.7 | Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand Journal of the American Chemical Society, 2005, 127, 5893-5901 |
4100130 | CIF | C37 H35 F6 O6 P | P 1 21/n 1 | 13.507; 17.866; 14.609 90; 91.321; 90 | 3524.4 | Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand Journal of the American Chemical Society, 2005, 127, 5893-5901 |
4100131 | CIF | C35 H29 Cl3 O6 | P n a 21 | 18.461; 13.905; 12.337 90; 90; 90 | 3166.9 | Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand Journal of the American Chemical Society, 2005, 127, 5893-5901 |
4100132 | CIF | C100 H131 B N24 O8 S8 | P 1 2/n 1 | 12.845; 17.134; 23.896 90; 92.11; 90 | 5256 | Journal of the American Chemical Society, 2005 |
4100133 | CIF | C110 H124 B N20 O4 P S4 | P 1 2/n 1 | 13.045; 17.151; 24.023 90; 92.21; 90 | 5371 | Journal of the American Chemical Society, 2005 |
4100134 | CIF | C55 H55 B N22 O | P 1 2/n 1 | 12.601; 18.1778; 23.825 90; 97.436; 90 | 5411.4 | Journal of the American Chemical Society, 2005 |
4100135 | CIF | C26 H32 Cl2 N2 Pd Si2 | P -1 | 6.4971; 9.484; 12.703 81.847; 85.104; 70.768 | 731 | Journal of the American Chemical Society, 2005 |
4100136 | CIF | C9 H27 Br Cl3 Mo P3 | P 1 21/c 1 | 14.8055; 11.5568; 11.4021 90; 91.565; 90 | 1950.22 | Francois Stoffelbach; Sébastien Maria; Rinaldo Poli; Philippe Richard; Jean-Claude Daran Atom transfer radical polymerization catalysis with MoX3(PMe3)3 complexes (X = Cl, Br, I). On the nature and stability of the radical trapping species. Journal of the American Chemical Society, 2005 |
4100137 | CIF | C4.5 H13.5 Br2 Mo0.5 P1.5 | P n m a | 11.53; 14.853; 12.033 90; 90; 90 | 2060.7 | Journal of the American Chemical Society, 2005 |
4100138 | CIF | C9 H27 I5 Mo P3 | P 21 21 21 | 9.1302; 15.0703; 18.1518 90; 90; 90 | 2497.6 | Journal of the American Chemical Society, 2005 |
4100139 | CIF | C10 H29 Cl2 I3 Mo P3 | P b c 21 | 9.2861; 18.0913; 14.6712 90; 90; 90 | 2464.7 | Journal of the American Chemical Society, 2005 |
4100140 | CIF | C10 H8 Cl2 F2 N2 Pt | P -1 | 6.9562; 7.0192; 7.6303 64.148; 63.131; 81.167 | 298.64 | Journal of the American Chemical Society, 2005 |
4100141 | CIF | C10 H8 Cl4 N2 Pt | P -1 | 5.5441; 7.1432; 8.6648 71.147; 79.634; 85.992 | 319.41 | Journal of the American Chemical Society, 2005 |
4100142 | CIF | C10 H8 Br2 Cl2 N2 Pt | P -1 | 3.9786; 12.337; 13.624 89.538; 83.513; 82.951 | 659.4 | Journal of the American Chemical Society, 2005 |
4100143 | CIF | C10 H8 Br2 Cl2 N2 Pt | P -1 | 3.9673; 8.3332; 10.1785 89.126; 82.341; 78.44 | 326.71 | Journal of the American Chemical Society, 2005 |
4100144 | CIF | C10 H8 Cl2 I2 N2 Pt | C 1 2/c 1 | 25.414; 4.2034; 16.357 90; 126.464; 90 | 1405.3 | Journal of the American Chemical Society, 2005 |
4100145 | CIF | C11 H11 Cl2 F2 N2 O Pd | P 1 21/c 1 | 3.8484; 11.719; 15.637 90; 96.578; 90 | 700.6 | Journal of the American Chemical Society, 2005 |
4100146 | CIF | C10 H8 Cl4 N2 Pd | P 1 21/c 1 | 3.911; 13.721; 12.029 90; 94.979; 90 | 643.1 | Journal of the American Chemical Society, 2005 |
4100147 | CIF | C10 H8 Br2 Cl2 N2 Pd | P 1 21/c 1 | 3.9496; 13.924; 12.034 90; 93.529; 90 | 660.6 | Journal of the American Chemical Society, 2005 |
4100148 | CIF | C10 H8 Cl2 I2 N2 Pd | P -1 | 4.1501; 8.4147; 10.187 90.787; 96.369; 101.532 | 346.18 | Journal of the American Chemical Society, 2005 |
4100149 | CIF | C74 H106 Mg2 N6 O2 | C 1 2/c 1 | 28.4817; 13.1962; 18.012 90; 90.642; 90 | 6769.4 | Journal of the American Chemical Society, 2005 |
4100150 | CIF | C29 H37 N3 Zn | P -1 | 12.1589; 14.8318; 16.6799 87.773; 71.894; 67.208 | 2624.4 | Journal of the American Chemical Society, 2005 |
4100151 | CIF | C29 H37 Mg N3 | P 1 21/c 1 | 19.9588; 15.0135; 18.2663 90; 104.037; 90 | 5310.1 | Journal of the American Chemical Society, 2005 |
4100152 | CIF | C31 H41 Mg N3 | P 1 21/c 1 | 10.2515; 13.4228; 20.9001 90; 98.53; 90 | 2844.12 | Journal of the American Chemical Society, 2005 |
4100153 | CIF | C35 H49 Mg N3 | P 1 21/c 1 | 13.247; 17.1969; 15.0233 90; 114.499; 90 | 3114.29 | Journal of the American Chemical Society, 2005 |
4100154 | CIF | C31 H53 B F12 Mn2 N6 O4 P2 | P 1 2/c 1 | 22.0188; 10.7399; 17.5903 90; 102.75; 90 | 4057.2 | Journal of the American Chemical Society, 2005 |
4100155 | CIF | C31 H58 B Cl2 Mn2 N8 O15 | P -1 | 11.311; 12.638; 16.855 101.11; 108.28; 103.46 | 2130.9 | Journal of the American Chemical Society, 2005 |
4100156 | CIF | C28 H57 Cl2 Mn2 N7 O13 | P n m a | 17.0472; 12.1525; 18.6112 90; 90; 90 | 3855.6 | Journal of the American Chemical Society, 2005 |
4100157 | CIF | C77 H98 B2 Mn2 N8 O5 | P -1 | 12.6006; 13.6769; 23.4457 73.87; 84.33; 65.24 | 3524 | Journal of the American Chemical Society, 2005 |
4100158 | CIF | C27 H33 In N4 O8 | R -3 c :H | 15.787; 15.787; 51.509 90; 90; 120 | 11118 | Journal of the American Chemical Society, 2005 |
4100159 | CIF | C121 H139 In6 N21 O60 | P -1 | 14.4111; 16.0466; 16.7388 114.216; 95.441; 91.595 | 3504.8 | Journal of the American Chemical Society, 2005 |
4100160 | CIF | C20 H30 O2 Si W | I 41/a :2 | 17.1741; 17.1741; 28.797 90; 90; 90 | 8493.8 | Journal of the American Chemical Society, 2005 |
4100161 | CIF | C31 H36 O2 Si W | P 1 21/n 1 | 9.664; 18.513; 15.988 90; 93.601; 90 | 2854.8 | Journal of the American Chemical Society, 2005 |
4100162 | CIF | C33 H40 O3 Si W | P 1 21/c 1 | 13.37; 10.309; 21.3 90; 90.762; 90 | 2935.6 | Journal of the American Chemical Society, 2005 |
4100163 | CIF | C31 H44 Cl2 Cu F6 N6 O3 P | P -1 | 8.396; 14.281; 16.138 68.477; 84.072; 86.267 | 1790 | Journal of the American Chemical Society, 2005 |
4100164 | CIF | C107 H110 N4 Pd | P 1 21/a 1 | 15.31; 19.927; 28.867 90; 94.6626; 90 | 8778 | Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands Journal of the American Chemical Society, 2005, 127, 7294-7295 |
4100165 | CIF | C102 H102 Cl2 N4 O4 Pd | C 1 2/c 1 | 32.121; 13.23; 25.781 90; 125.41; 90 | 8929 | Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands Journal of the American Chemical Society, 2005, 127, 7294-7295 |
4100166 | CIF | C100 H102 N4 O3 Pd | C 1 2/c 1 | 34.854; 17.0305; 30.778 90; 114.649; 90 | 16605 | Yamashita, Makoto; Goto, Kei; Kawashima, Takayuki Fixation of Both O2 and CO2 from Air by a Crystalline Palladium Complex Bearing N-Heterocyclic Carbene Ligands Journal of the American Chemical Society, 2005, 127, 7294-7295 |
4100167 | CIF | C31 H45 Cl N Rh Si | C 1 c 1 | 10.6977; 17.3256; 16.045 90; 95.821; 90 | 2958.5 | Yves. Canac, Salvador. Conejero; Bruno Donnadieu, Guy. Bertrand; Wolfang. W. Schoeller Persistent (Amino)(Silyl)Carbenes Journal of the American Chemical Society, 2005 |
4100168 | CIF | C50 H66 Cl2 N2 O4 Rh2 Si2 | P 1 21/n 1 | 16.92; 19.249; 17.148 90; 108.045; 90 | 5310 | Journal of the American Chemical Society, 2005 |
4100169 | CIF | C30 H31 Cl N2 O2 Ru S | P 21 21 21 | 12.57; 17.252; 25.295 90; 90; 90 | 5486 | Journal of the American Chemical Society, 2005 |
4100170 | CIF | C44 H62 Al N2 O2 Yb | P 1 21/n 1 | 8.812; 37.845; 12.032 90; 97.06; 90 | 3982 | Journal of the American Chemical Society, 2005 |
4100171 | CIF | C44 H62 Al Er N2 O2 | P 1 21/n 1 | 8.85; 37.991; 12.072 90; 97.07; 90 | 4028 | Journal of the American Chemical Society, 2005 |
4100172 | CIF | C44 H62 Al Dy N2 O2 | P 1 21/n 1 | 8.854; 37.975; 12.106 90; 97.17; 90 | 4039 | Journal of the American Chemical Society, 2005 |
4100173 | CIF | C54 H70 Al N2 O Yb | P 1 21/n 1 | 9.13; 12.498; 42.211 90; 93.36; 90 | 4808 | Journal of the American Chemical Society, 2005 |
4100174 | CIF | C45 H60 Al Dy N2 O | P 1 21/m 1 | 10.188; 19.669; 10.536 90; 109.43; 90 | 1991 | Journal of the American Chemical Society, 2005 |
4100175 | CIF | C45 H60 Al N2 O Sm | P 1 21/m 1 | 10.214; 19.606; 10.556 90; 109.37; 90 | 1994 | Journal of the American Chemical Society, 2005 |
4100176 | CIF | C26 H38 O2 Sn2 Yb2 | P 1 21/n 1 | 8.288; 16.18; 10.394 90; 98.53; 90 | 1378 | Journal of the American Chemical Society, 2005 |
4100177 | CIF | C42 H58 N2 Yb | P 1 21/n 1 | 16.326; 9.565; 23.801 90; 94.17; 90 | 3707 | Journal of the American Chemical Society, 2005 |
4100178 | CIF | C35 H59 Cl N3 Si2 Yb | P 1 21/c 1 | 17.12; 18.184; 12.887 90; 104.48; 90 | 3884 | Journal of the American Chemical Society, 2005 |
4100179 | CIF | C40 H35 B Cl4 F4 Mn N O4 P2 | P 21 21 21 | 11.0401; 15.2369; 25 90; 90; 90 | 4205.5 | Marta E. G. Mosquera Crystal structure of compound 7 Journal of the American Chemical Society, 2005 |
4100180 | CIF | C40 H100 Cl N5 O36 V14 | P c a 21 | 24.315; 13.85; 21.742 90; 90; 90 | 7322 | Journal of the American Chemical Society, 2005 |
4100181 | CIF | C23 H28 N2 O7 S | P -1 | 9.9186; 11.3368; 11.9916 89.263; 67.54; 80.873 | 1228.66 | Sammis, Glenn M.; .; Ho, Douglas M.; Sorensen, Erik J.; . N'-(6-Acetyl-3-methyl-5-phenylcyclohex-2-enyl)-N'-methanesulfonyl- hydrazinedicarboxylic Acid Diallyl Ester Journal of the American Chemical Society, 2005 |
4100182 | CIF | Ga4 Se32 Ta16 | F -4 3 m | 10.358; 10.358; 10.358 90; 90; 90 | 1111.3 | Pocha, R.; Johrendt, D.; Ni, B.; Abd.Elmeguid, M.M. Crystal Structures, Electronic Properties and Presure Induced Superconductivity of the Tetrahedral Cluster Compounds GaNb4S8, GaNb4Se8 and GaTa4Se8 Journal of the American Chemical Society, 2005 |
4100183 | CIF | Ga4 Nb16 S32 | F -4 3 m | 9.985; 9.985; 9.985 90; 90; 90 | 995.5 | Journal of the American Chemical Society, 2005 |
4100184 | CIF | C75 H50 Cl4 O4 Ru2 | P -1 | 12.6109; 13.6479; 20.6566 102.68; 100.168; 107.999 | 3182.3 | Journal of the American Chemical Society, 2005 |
4100185 | CIF | C37 H25 I O2 Ru | P -1 | 7.9216; 10.1467; 19.4333 100.89; 90.896; 97.498 | 1519.46 | Journal of the American Chemical Society, 2005 |
4100186 | CIF | C37 H26 O2 Ru | P b c a | 13.8174; 20.133; 20.818 90; 90; 90 | 5791.3 | Journal of the American Chemical Society, 2005 |
4100187 | CIF | C22 H26 N2 S4 | P -1 | 7.4716; 8.133; 20.356 97.94; 93.89; 104.08 | 1181.7 | Javier Garin Journal of the American Chemical Society, 2005 |
4100188 | CIF | C27 H24 Br O6 | P -1 | 8.2219; 9.2783; 15.7089 99.007; 91.117; 97.868 | 1171.4 | Journal of the American Chemical Society, 2005 |
4100189 | CIF | C33 H35 Br O6 | P -1 | 7.7032; 10.0741; 20.765 88.043; 81.558; 69.923 | 1496.9 | Journal of the American Chemical Society, 2005 |
4100190 | CIF | C102 H120 O44 Si3 | I 41/a :2 | 16.926; 16.926; 38.794 90; 90; 90 | 11114 | Journal of the American Chemical Society, 2005 |
4100191 | CIF | C34 H36 O12 Si | I -4 2 d | 16.994; 16.994; 37.344 90; 90; 90 | 10785 | Journal of the American Chemical Society, 2005 |
4100192 | CIF | C24 H20 O8 Si | I -4 2 d | 17.3347; 17.3347; 36.855 90; 90; 90 | 11074.8 | Journal of the American Chemical Society, 2005 |
4100193 | CIF | C112 H140 O34 Si3 | I 41/a :2 | 17.106; 17.106; 38.635 90; 90; 90 | 11305 | Journal of the American Chemical Society, 2005 |
4100194 | CIF | C34.66667 H41.33333 O13.33333 Si | I -4 2 d | 17.05; 17.05; 37.082 90; 90; 90 | 10780 | Journal of the American Chemical Society, 2005 |
4100195 | CIF | C57 H53 N8 Ru2 S Si | P -1 | 10.411; 16.5299; 17.004 68.432; 83.805; 71.927 | 2587 | Journal of the American Chemical Society, 2005 |
4100196 | CIF | C30 H37 D8 N5 O4 Zr | P 1 21/c 1 | 12.3129; 12.915; 21.3187 90; 100.849; 90 | 3329.53 | Journal of the American Chemical Society, 2005 |
4100197 | CIF | C27 H19 N2 O | P -1 | 10.442; 10.423; 18.967 91.734; 97.363; 91.588 | 2045.4 | Journal of the American Chemical Society, 2005 |
4100198 | CIF | C30 H24 N2 O3 | P -1 | 9.7716; 10.2228; 12.723 91.335; 98.148; 91.295 | 1257.4 | Journal of the American Chemical Society, 2005 |
4100199 | CIF | C42 H46 N6 O2 | P 1 21 1 | 11.896; 11.812; 12.988 90; 90.592; 90 | 1824.8 | Journal of the American Chemical Society, 2005 |
4100200 | CIF | C40 H52 Br2 N4 Ni | C 1 2 1 | 31.635; 7.6556; 22.102 90; 133.882; 90 | 3858.1 | Journal of the American Chemical Society, 2005 |
4100201 | CIF | C11 H12 Br N O3 | P 21 21 21 | 5.574; 7.673; 27.77 90; 90; 90 | 1187.7 | Journal of the American Chemical Society, 2005 |
4100202 | CIF | C45 H103 Si7 | P -1 | 13.234; 13.33; 18.384 87.916; 76.263; 60.692 | 2734.9 | Journal of the American Chemical Society, 2005 |
4100203 | CIF | C95 H151 B F16 Si10 | P n a 21 | 39.64; 13.649; 20.009 90; 90; 90 | 10825.8 | Journal of the American Chemical Society, 2005 |
4100204 | CIF | C26 H45 Ga6 N4 O42 P9 Zn3 | C 1 2/c 1 | 30.746; 13.5846; 14.3291 90; 109.851; 90 | 5629.3 | Journal of the American Chemical Society, 2005 |
4100205 | CIF | C26 H45 Ga6 N4 O42 P9 Zn3 | C 1 2/c 1 | 30.748; 13.534; 14.31 90; 109.733; 90 | 5605 | Journal of the American Chemical Society, 2005 |
4100206 | CIF | C84.5 H111 N3 O3.5 U | R -3 :R | 16.0236; 16.0236; 16.0236 74.445; 74.445; 74.445 | 3732 | Journal of the American Chemical Society, 2005 |
4100207 | CIF | C28 H37 N1.5 O U0.33 | R -3 :R | 16.1204; 16.1204; 16.1204 73.85; 73.85; 73.85 | 3772.4 | Journal of the American Chemical Society, 2005 |
4100208 | CIF | C61 H100 N3 O4 U | I 41/a :2 | 27.6121; 27.6121; 31.7727 90; 90; 90 | 24224.4 | Journal of the American Chemical Society, 2005 |
4100209 | CIF | C38 H43 O8.5 S3 | R -3 :H | 13.7443; 13.7443; 60.7777 90; 90; 120 | 9943.1 | Song, Qiuling; Ho, Douglas M.; Pascal Jr.; Robert A. A Sterically Congested in-Methylcyclophane Journal of the American Chemical Society, 2005 |
4100210 | CIF | C28 H34 N3 Ni | P 1 21/c 1 | 8.822; 16.4; 17.952 90; 100.581; 90 | 2553.2 | Kogut, E.; Wiencko, H. L.; Zhang, L; Cordeau, D. E.; Warren, T. H. Journal of the American Chemical Society, 2005 |
4100211 | CIF | C30 H38 N3 Ni | P 1 21/c 1 | 11.544; 14.664; 16.55 90; 106.65; 90 | 2684 | Kogut, E.; Wiencko, H. L.; Zhang, L.; Cordeau, D. E.;Warren, T. H. Journal of the American Chemical Society, 2005 |
4100212 | CIF | C52 H65 N5 Ni2 | P 1 21/c 1 | 10.749; 15.625; 33.698 90; 98.613; 90 | 5596 | Kogut, E.; Wiencko, H. L.; Zhang, L; Cordeau, D. E.; Warren, T. H. Journal of the American Chemical Society, 2005 |
4100213 | CIF | C33 H44 N3 Ni | P n m a | 17.0088; 9.2319; 19.0881 90; 90; 90 | 2997.3 | Kogut, E.; Wiencko, H. L.; Zhang, L.; Cordeau, D. E.; Warren, Timothy H. Journal of the American Chemical Society, 2005 |
4100214 | CIF | C43 H54 Co N3 Ni | P n a 21 | 10.9909; 29.777; 11.2275 90; 90; 90 | 3674.5 | Journal of the American Chemical Society, 2005 |
4100215 | CIF | C33 H45 N3 Ni | P -4 21 c | 25.992; 25.992; 10.506 90; 90; 90 | 7098 | Kogut, E.; Wiencko, H. L.; Zhang, L.; Cordeau, D. E.; Warren, T. H. Journal of the American Chemical Society, 2005 |
4100216 | CIF | C48 H55 N O10 | P 1 21 1 | 6.552; 38.443; 8.845 90; 95.89; 90 | 2216.11 | Journal of the American Chemical Society, 2005 |
4100217 | CIF | C22 H24 B Cl3 Mo N6 O5 | P -1 | 8.775; 10.558; 15.442 89.165; 79.929; 67.509 | 1299.3 | Journal of the American Chemical Society, 2005 |
4100218 | CIF | C20 H30 N2 O3 S | P -1 | 11.203; 13.3349; 14.7243 95.661; 96.933; 103.407 | 2105.74 | Journal of the American Chemical Society, 2005 |
4100219 | CIF | C36 H45 Mn4 N10 O22.5 | P -1 | 10.102; 14.204; 17.338 83.31; 83.62; 88.11 | 2455.1 | Journal of the American Chemical Society, 2005 |
4100220 | CIF | C21 H24 Ir N O4 | P 1 21/n 1 | 8.1041; 9.669; 13.2092 90; 94.113; 90 | 1032.39 | Journal of the American Chemical Society, 2005 |
4100221 | CIF | C23 H28 Ir N O4 | P 1 21/n 1 | 8.3752; 19.188; 14.088 90; 96.132; 90 | 2251 | Periana, R. A.; Bhalla, G Journal of the American Chemical Society, 2005 |
4100222 | CIF | C96 H119 Co2 Cr2 N8 O12 | P -1 | 9.828; 18.793; 25.558 75.083; 86.603; 80.683 | 4501 | Journal of the American Chemical Society, 2005 |
4100223 | CIF | C48 H55 Cl6 N7 O7 S | P 1 21/c 1 | 13.4908; 19.0632; 20.867 90; 96.607; 90 | 5330.9 | Journal of the American Chemical Society, 2005 |
4100224 | CIF | C51 H52 N10 O2 | P 1 21/c 1 | 17.5831; 15.311; 18.6423 90; 114.702; 90 | 4559.5 | Journal of the American Chemical Society, 2005 |
4100225 | CIF | C26 H24 N2 O4 S | P -1 | 9.75; 10.807; 12.172 103.37; 95.24; 113.1 | 1123.7 | Journal of the American Chemical Society, 2005 |
4100226 | CIF | C26 H24 N2 O4 S | P -1 | 10.155; 14.69; 17.696 113.53; 101.53; 90.01 | 2362.1 | Journal of the American Chemical Society, 2005 |
4100227 | CIF | C34 H40 I2 O10 P2 Zn2 | P 1 21/c 1 | 9.8027; 9.5376; 21.8327 90; 100.932; 90 | 2004.19 | Charette, André B.; Poulard, Cyril; Bélanger-Gariépy, Francine Structure of CHAR91 Journal of the American Chemical Society, 2005 |
4100228 | CIF | C78 H98 B2 Li2 O8 | P 1 21/n 1 | 10.2202; 10.8186; 31.611 90; 97.093; 90 | 3468.4 | Journal of the American Chemical Society, 2005 |
4100229 | CIF | C28 H30 Br Cl6 S16 | P 41 | 12.3265; 12.3265; 29.6626 90; 90; 90 | 4507 | Michio M. Matsushita; Tadashi Sugawara Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt Journal of the American Chemical Society, 2005 |
4100230 | CIF | C28 H30 Br Cl6 S16 | P 41 | 12.4007; 12.4007; 29.8325 90; 90; 90 | 4587.6 | Michio M. Matsushita; Tadashi Sugawara Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt Journal of the American Chemical Society, 2005 |
4100231 | CIF | C28 H30 Br Cl6 S16 | P 41 | 12.3954; 12.3954; 29.811 90; 90; 90 | 4580.3 | Michio M. Matsushita; Tadashi Sugawara Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt Journal of the American Chemical Society, 2005 |
4100232 | CIF | C23 H35 N O4 | P 1 21 1 | 13.0074; 5.5271; 17.063 90; 106.658; 90 | 1175.2 | Journal of the American Chemical Society, 2005 |
4100233 | CIF | C50 H30 Cl2 N4 O5 P Re | P 21 21 21 | 10.0876; 15.55; 30.996 90; 90; 90 | 4862.2 | Journal of the American Chemical Society, 2005 |
4100234 | CIF | C23 H23 N O4 S | P 1 21 1 | 10.9212; 5.3916; 17.0437 90; 90.27; 90 | 1003.57 | Evans, P. Andrew; Lai, Kwong Wah; Sawyer, James R. Regio- and Enantioselective Intermolecular Rhodium-Catalyzed [2+2+2] Carbocyclization Reactions of 1,6-Enynes with Methyl Arylpropiolates Journal of the American Chemical Society, 2005 |
4100235 | CIF | C43.5 H60 F N2 O7 P | P 1 | 9.792; 11.3547; 21.4063 88.0654; 79.5006; 89.938 | 2338.8 | Journal of the American Chemical Society, 2005 |
4100236 | CIF | C55 H87 O10 P | P 21 21 21 | 11.2661; 16.8443; 30.1188 90; 90; 90 | 5715.63 | Journal of the American Chemical Society, 2005 |
4100237 | CIF | C28 H33 N O5 | P -1 | 9.3397; 11.4953; 12.0017 79.242; 83.47; 80.402 | 1243.62 | Journal of the American Chemical Society, 2005 |
4100238 | CIF | C41 H46 N2 O7 S | P 1 21/c 1 | 17.3357; 18.3236; 11.5161 90; 92.498; 90 | 3654.64 | Journal of the American Chemical Society, 2005 |
4100239 | CIF | C47 H53 N2 O7 S | P -1 | 11.1857; 12.2691; 16.4143 87.112; 74.288; 76.143 | 2105.14 | Journal of the American Chemical Society, 2005 |
4100240 | CIF | C38 H45 N3 O8 | P -1 | 8.8203; 12.4682; 16.9791 102.634; 90.79; 98.378 | 1800.57 | Journal of the American Chemical Society, 2005 |
4100241 | CIF | C34.5 H42 N2 O8.5 | P -1 | 9.0359; 12.6771; 14.4654 87.72; 78.039; 79.337 | 1593.03 | Journal of the American Chemical Society, 2005 |
4100242 | CIF | C94 H14 S4 Sc3 | P 1 21/m 1 | 11.0603; 14.4019; 15.575 90; 103.891; 90 | 2408.4 | Journal of the American Chemical Society, 2005 |
4100243 | CIF | C109 H50 N S2 Sc3 | P n n m | 16.0353; 25.543; 15.0618 90; 90; 90 | 6169.2 | Journal of the American Chemical Society, 2005 |
4100244 | CIF | C11 H18 N4 O3 S | P 1 21 1 | 6.5893; 5.4676; 18.392 90; 96.499; 90 | 658.4 | Journal of the American Chemical Society, 2005 |
4100245 | CIF | C8 H16 N4 O5 | P 1 21 1 | 6.0389; 7.2672; 12.9258 90; 99.908; 90 | 558.8 | Journal of the American Chemical Society, 2005 |
4100246 | CIF | C12 H22 N4 O4 | P 21 21 2 | 12.24; 21.081; 6.1137 90; 90; 90 | 1577.6 | Journal of the American Chemical Society, 2005 |
4100247 | CIF | C10 H20 N4 O8 | P 1 21 1 | 4.8451; 18.326; 8.678 90; 104.029; 90 | 747.5 | Journal of the American Chemical Society, 2005 |
4100248 | CIF | C11 H16 N4 O5 | P 1 21 1 | 4.9316; 15.472; 8.6253 90; 99.102; 90 | 649.84 | Journal of the American Chemical Society, 2005 |
4100249 | CIF | C22 H42 N8 O9 | P 21 21 2 | 9.283; 18.035; 8.549 90; 90; 90 | 1431.2 | Journal of the American Chemical Society, 2005 |
4100250 | CIF | C62 H74 N4 O8 Pd | P 1 21/n 1 | 11.839; 17.17; 27.07 90; 92.689; 90 | 5497 | Journal of the American Chemical Society, 2005 |
4100251 | CIF | C63.5 H77 N4 O8.5 Pd | P -1 | 16.191; 24.3; 30.66 105.54; 101.08; 90.607 | 11381 | Journal of the American Chemical Society, 2005 |
4100252 | CIF | C62 H74 N4 O8 Pd | P 1 21 1 | 11.3837; 36.2251; 13.6178 90; 97.838; 90 | 5563.2 | Journal of the American Chemical Society, 2005 |
4100253 | CIF | C13 H15 F6 O6 Pt S2 | C 1 2/c 1 | 24.017; 12.684; 13.349 90; 114.421; 90 | 3702.7 | Dmitry Karshtedt Platinum-Based Catalysts for the Hydroamination of Olefins with Sulfonamides Journal of the American Chemical Society, 2005 |
4100254 | CIF | C33 H42 N2 O8 | P 1 21 1 | 12.013; 8.448; 15.988 90; 104.015; 90 | 1574.3 | Journal of the American Chemical Society, 2005 |
4100255 | CIF | C58 H43 Cl17 N8 O0.5 Ru2 | P 4/n c c :2 | 15.5378; 15.5378; 27.043 90; 90; 90 | 6528.9 | Journal of the American Chemical Society, 2005 |
4100256 | CIF | C58 H43 Cl17 N8 O0.5 Ru2 | P 4/n c c :2 | 15.7834; 15.7834; 27.0879 90; 90; 90 | 6748 | Journal of the American Chemical Society, 2005 |
4100257 | CIF | C24.5 H61 Cl13 Cu3 F18 N6 S2 Sb3 | R -3 :H | 19.4501; 19.4501; 28.922 90; 90; 120 | 9475.6 | Journal of the American Chemical Society, 2005 |
4100258 | CIF | C33 H72 Cl6 Cu3 F18 N6 P3 S2 | C 2 2 21 | 12.81; 24.332; 18.638 90; 90; 90 | 5809 | Journal of the American Chemical Society, 2005 |
4100259 | CIF | C74 H110 Br2 N2 O4 Ru2 S8 | P -1 | 10.9433; 13.8349; 14.3122 72.949; 78.142; 75.68 | 1986.5 | Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D. Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide Journal of the American Chemical Society, 2005 |
4100260 | CIF | C65 H76 N2 O2 Ru S4 Si2 | P 1 | 9.4625; 9.9173; 16.7418 99.58; 92.874; 101.063 | 1514.91 | Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D. Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide Journal of the American Chemical Society, 2005 |
4100261 | CIF | C58 H48 Br Cl2 N3 O Ru S4 Si2 | P 1 21/n 1 | 11.3865; 28.604; 17.1645 90; 92.782; 90 | 5583.88 | Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D. Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide Journal of the American Chemical Society, 2005 |
4100262 | CIF | C61 H57 Br N3 O2 Ru S4 Si2 | C 1 2/c 1 | 19.8857; 10.9211; 26.5136 90; 98.956; 90 | 5687.9 | Prakash, R.; Czaja, A. U.; Heinemann, F. W.; Sellmann, D. Visible Light Induced Reversible Extrusion of Nitric Oxide from a Ruthenium(II) Nitrosyl Complex: a Facile Delivery of Nitric Oxide Journal of the American Chemical Society, 2005 |
4100263 | CIF | C25 H25 Br Cl2 N Ni0.5 | C 1 2/c 1 | 25.048; 11.7172; 15.9494 90; 94.255; 90 | 4668.1 | Journal of the American Chemical Society, 2005 |
4100264 | CIF | C20 H40 B10 Cl Li O2 Zr | P 21 21 21 | 10.5395; 14.49; 19.322 90; 90; 90 | 2950.7 | Journal of the American Chemical Society, 2005 |
4100265 | CIF | C29 H50 B10 N2 O Zr | P b c m | 10.556; 24.47; 13.1219 90; 90; 90 | 3389.3 | Journal of the American Chemical Society, 2005 |
4100266 | CIF | C22 H33 B10 N3 O Zr | P -1 | 10.8276; 11.4701; 11.7051 72.599; 78.075; 86.91 | 1357.19 | Journal of the American Chemical Society, 2005 |
4100267 | CIF | C29 H51 B10 N3 O0.5 Zr | P 1 21/c 1 | 11.4402; 22.1976; 15.326 90; 91.335; 90 | 3890.9 | Journal of the American Chemical Society, 2005 |
4100268 | CIF | C26 H30 B10 N2 Zr | P 21 21 21 | 11.009; 11.266; 22.931 90; 90; 90 | 2844.2 | Journal of the American Chemical Society, 2005 |
4100269 | CIF | Bi4 Mn2.7 Ni1.3 O12 | P n 21 m | 5.4939; 11.115; 15.503 90; 90; 90 | 946.7 | Journal of the American Chemical Society, 2005 |
4100270 | CIF | C40 H36 S11 | P -1 | 11.5598; 17.1877; 19.413 89.31; 86.152; 83.293 | 3822.1 | Journal of the American Chemical Society, 2005 |
4100271 | CIF | C32 H36 S7 | P 1 21/c 1 | 16.309; 8.446; 22.011 90; 94.396; 90 | 3022.9 | Journal of the American Chemical Society, 2005 |
4100272 | CIF | C17 H28 O2 | P c c n | 12.236; 23.692; 10.969 90; 90; 90 | 3179.9 | Journal of the American Chemical Society, 2005 |
4100273 | CIF | C17 H28 O2 | P 21 21 21 | 8.6513; 9.3877; 19.313 90; 90; 90 | 1568.5 | Journal of the American Chemical Society, 2005 |
4100274 | CIF | C17 H26 O2 | P -1 | 7.6245; 9.0143; 11.5451 100.447; 101.757; 98.479 | 749.82 | Journal of the American Chemical Society, 2005 |
4100275 | CIF | C40 H54 B N O4 Si | P 1 21 1 | 6.431; 17.308; 16.719 90; 90.93; 90 | 1860.7 | Biljana Peric Simov; Frank Wuggenig; Kurt Mereiter; Hendrik Andres; Julien France; Peter Schnelli; Friedrich Hammerschmidt Direct Chemical Synthesis of Chiral Methanol of 98% ee Isolated as its 3,5-Dinitrobenzoate Journal of the American Chemical Society, 2005 |
4100276 | CIF | C46 H53 Cl2 Co N3 O | P 1 21 1 | 9.439; 25.767; 9.547 90; 113.02; 90 | 2137.1 | Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C. Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation Journal of the American Chemical Society, 2005, 127, 13955-13968 |
4100277 | CIF | C43 H47 Cl Co N3 | P 1 21/n 1 | 9.872; 27.669; 13.89 90; 96.96; 90 | 3766.1 | Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C. Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation Journal of the American Chemical Society, 2005, 127, 13955-13968 |
4100278 | CIF | C33 H43 Cl Co N3 | P 1 21/n 1 | 8.775; 22.971; 15.634 90; 101.2; 90 | 3091.3 | Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C. Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation Journal of the American Chemical Society, 2005, 127, 13955-13968 |
4100279 | CIF | C68 H53 B Br Co F20 N4 | P 1 21/c 1 | 20.027; 12.241; 25.895 90; 93.75; 90 | 6334.6 | Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C. Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation Journal of the American Chemical Society, 2005, 127, 13955-13968 |
4100280 | CIF | C43 H47 N3 | P 1 21/c 1 | 19.736; 11.967; 16.077 90; 106.03; 90 | 3649.4 | Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C. Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation Journal of the American Chemical Society, 2005, 127, 13955-13968 |
4100281 | CIF | C46.5 H51 Cl2 Fe N3 | P 1 21/c 1 | 13.521; 16.29; 19.298 90; 98.26; 90 | 4206.4 | Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C. Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation Journal of the American Chemical Society, 2005, 127, 13955-13968 |
4100282 | CIF | C33 H43 N3 O2 | I -4 | 27.0925; 27.0925; 8.2461 90; 90; 90 | 6052.7 | Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C. Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation Journal of the American Chemical Society, 2005, 127, 13955-13968 |
4100283 | CIF | C40 H51 Cl2 Fe N3 O2 | P b c a | 11.5856; 18.9039; 34.762 90; 90; 90 | 7613.3 | Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C. Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation Journal of the American Chemical Society, 2005, 127, 13955-13968 |
4100284 | CIF | C39 H55 Cl2 Co N3 O3.5 | P b c n | 35.52; 11.5844; 18.7071 90; 90; 90 | 7697.6 | Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C. Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation Journal of the American Chemical Society, 2005, 127, 13955-13968 |
4100285 | CIF | C34 H46 Co N3 O2 | P 1 21/n 1 | 11.7149; 13.5659; 20.8201 90; 105.229; 90 | 3192.6 | Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C. Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation Journal of the American Chemical Society, 2005, 127, 13955-13968 |
4100286 | CIF | C52 H46 B Co F15 N3 O2 | P 1 21/c 1 | 18.2816; 13.9935; 18.7573 90; 96.312; 90 | 4769.5 | Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C. Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation Journal of the American Chemical Society, 2005, 127, 13955-13968 |
4100287 | CIF | C24 H60 O19 V6 | P 1 21/n 1 | 10.338; 17.76; 11.002 90; 106.408; 90 | 1937.7 | Daniel, Charles; Hartl, Hans Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core Journal of the American Chemical Society, 2005, 127, 13978-13987 |
4100288 | CIF | C24 H60 O19 V6 | R -3 m :H | 17.5332; 17.5332; 11.224 90; 90; 120 | 2988.2 | Daniel, Charles; Hartl, Hans Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core Journal of the American Chemical Society, 2005, 127, 13978-13987 |
4100289 | CIF | C24 H60 Cl6 O19 Sb V6 | P -1 | 10.4567; 10.5469; 10.6194 88.751; 86.169; 88.269 | 1167.8 | Daniel, Charles; Hartl, Hans Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core Journal of the American Chemical Society, 2005, 127, 13978-13987 |
4100290 | CIF | C26 H64 Cl16 O19 Sb2 V6 | P -1 | 11.1503; 11.584; 12.829 109.445; 102.351; 93.771 | 1509.3 | Daniel, Charles; Hartl, Hans Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core Journal of the American Chemical Society, 2005, 127, 13978-13987 |
4100291 | CIF | C12 H36 O19 V6 | P n a 21 | 20.8343; 10.083; 13.5064 90; 90; 90 | 2837.3 | Daniel, Charles; Hartl, Hans Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core Journal of the American Chemical Society, 2005, 127, 13978-13987 |
4100292 | CIF | C12 H36 Cl6 O19 Sb V6 | R -3 :H | 13.943; 13.943; 16.773 90; 90; 120 | 2823.8 | Daniel, Charles; Hartl, Hans Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core Journal of the American Chemical Society, 2005, 127, 13978-13987 |
4100293 | CIF | C60 H58 P4 Ru | P 1 21/n 1 | 10.485; 15.867; 16.467 90; 101.66; 90 | 2683 | Journal of the American Chemical Society, 2005 |
4100294 | CIF | C32 H52 N2 P4 Ru | P 1 21/c 1 | 10.235; 11.677; 14.976 90; 99.97; 90 | 1762.8 | Journal of the American Chemical Society, 2005 |
4100295 | CIF | C40 H50 P4 Ru | P b c a | 13.283; 12.833; 22.746 90; 90; 90 | 3877.3 | Journal of the American Chemical Society, 2005 |
4100296 | CIF | C64 H60 Er4 Hg2 N8 Se10 | P 1 21/c 1 | 12.9478; 17.5133; 16.9599 90; 111.879; 90 | 3568.8 | Anna Kornienko; Santanu Banerjee; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan Heterometallic Chalcogenido Clusters Containing Lanthanides and Main Group Metals: Emissive Precursors to Ternary Solid-State Compounds Journal of the American Chemical Society, 2005, 127, 14008-14014 |
4100297 | CIF | C58 H59 Cl0.5 Cr0.5 N5 O3 P2 | P 1 21/c 1 | 27.264; 21.61; 17.695 90; 90.546; 90 | 10425 | Donald J. Darensbourg; Ryan M. Mackiewicz Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes Journal of the American Chemical Society, 2005, 127, 14026-14038 |
4100298 | CIF | C40 H40 Cr N7 O2 | P 1 21 1 | 14.41; 11.391; 17.611 90; 103.542; 90 | 2810.3 | Donald J. Darensbourg; Ryan M. Mackiewicz Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes Journal of the American Chemical Society, 2005, 127, 14026-14038 |
4100299 | CIF | C8 H9 N O S | A m a 2 | 9.2374; 18.966; 4.6027 90; 90; 90 | 806.37 | Journal of the American Chemical Society, 2005 |
4100300 | CIF | C35 H30 B N7 O S4 Zn | P -1 | 9.9894; 10.6153; 17.306 105.875; 92.654; 96.521 | 1748 | Journal of the American Chemical Society, 2005 |
4100301 | CIF | C38 H39 B N7 O2.5 S4 Zn | P 1 21/n 1 | 17.64; 9.8639; 25.2516 90; 110.351; 90 | 4119.5 | Journal of the American Chemical Society, 2005 |
4100302 | CIF | C46 H56 N2 Zr2 | C 1 2/c 1 | 34.2735; 10.1637; 24.2411 90; 110.735; 90 | 7897.3 | Journal of the American Chemical Society, 2005 |
4100303 | CIF | C36 H52 N2 Zr2 | P 42/n :2 | 22.2372; 22.2372; 12.7232 90; 90; 90 | 6291.5 | Journal of the American Chemical Society, 2005 |
4100304 | CIF | C51 H67 N2 Zr2 | P -1 | 11.6843; 12.2044; 16.2169 98.848; 106.712; 96.448 | 2158.3 | Journal of the American Chemical Society, 2005 |
4100305 | CIF | C46 H38 N2 O3 Ru | P 1 21 1 | 11.719; 9.905; 17.403 90; 97.939; 90 | 2000.9 | Ilia A. Guzei Journal of the American Chemical Society, 2005 |
4100306 | CIF HKL | Cu2 La4 Mo O12 Zn | P -1 | 11.7114; 11.7098; 7.9329 80.255; 99.759; 39.5969 | 600.46 | Li, Guobao; You, Liping; Wei, Wutao; Lu, Yue; Ju, Jing; Wannberg, Anders; Rundlöf, Håkan; Zou, Xiaodong; Yang, Tao; Tian, Shujian; Liao, Fuhui; Toyota, Naoki; Lin, Jianhua La~4~Cu~3-x~Zn~x~MoO~12~: Zinc-Doped Cuprates with Kagomé Lattices Journal of the American Chemical Society, 2005, 127, 14094-14099 |
4100307 | CIF | C26 H44 B Cl3 N7 Rh | P 1 21/c 1 | 15.922; 14.31; 14.658 90; 104.236; 90 | 3237.1 | Journal of the American Chemical Society, 2005 |
4100308 | CIF | C14 H10 Co O4 | P c a b | 10.5031; 18.9228; 25.0747 90; 90; 90 | 4983.55 | Journal of the American Chemical Society, 2005 |
4100309 | CIF | C52 H40 Co3 N2 O12 | P -1 | 10.4764; 10.5116; 10.9597 85.32; 86.288; 88.897 | 1200.26 | Journal of the American Chemical Society, 2005 |
4100310 | CIF | C119 H99 Co6 O30 | P 1 21/n 1 | 13.5935; 20.5552; 20.2288 90; 101.267; 90 | 5543.3 | Journal of the American Chemical Society, 2005 |
4100311 | CIF | C66 H56 Mn N6 Ni2 O12 | P -1 | 11.3534; 11.9927; 23.2928 98.732; 90.811; 106.525 | 2999.75 | Journal of the American Chemical Society, 2005 |
4100312 | CIF | C98 H76 Co2 Ni4 O30 | P 1 21/c 1 | 18.7936; 20.8663; 25.3089 90; 106.229; 90 | 9529.5 | Journal of the American Chemical Society, 2005 |
4100313 | CIF | C28 H20 Co Mn O8 | P c a b | 10.6761; 19.1023; 24.9963 90; 90; 90 | 5097.7 | Journal of the American Chemical Society, 2005 |
4100314 | CIF | C26 H26 Cl2 Hg N6 O13 Ru S2 | P -1 | 8.836; 15.257; 17.437 79.554; 86.526; 80.798 | 2280.78 | Journal of the American Chemical Society, 2005 |
4100315 | CIF | C32 H80 Cl10 Fe4 N6 | P 1 21/n 1 | 13.513; 12.731; 16.728 90; 111.403; 90 | 2679.3 | Bennett, Miriam V.; Stoian, Sebastian.; Bominaar, Emile L.; Munck, Eckard; Holm, R. H. Initial Members of the Family of Molecular Mid-Valent High-Nuclearity Iron Nitrides: [Fe4N2X10]4- and [Fe10N8X12]5- (X = Cl-, Br-) Journal of the American Chemical Society, 2005 |
4100316 | CIF | C36 H86 Cl10 Fe4 N8 | P 1 21/c 1 | 10.064; 12.042; 24.16 90; 90.519; 90 | 2928 | Journal of the American Chemical Society, 2005 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!