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 'J. Am. Chem. Soc.'
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 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!