Crystallography Open Database

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Searching journal of publication like 'Journal of the American Chemical Society'

COD ID: 1000044
CIF file Formula: - Ca O -
Comments: 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 70 (1948) 2043-2046
Space group: F m -3 m
Cell volume: 110.5
Cell parameters: 4.799; 4.799; 4.799; 90; 90; 90;  

COD ID: 1008127
CIF file Formula: - Br D4 N -
Comments: 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 75 (1953) 1536-1542
Space group: P -4 3 m
Cell volume: 64
Cell parameters: 4; 4; 4; 90; 90; 90;  

COD ID: 1008128
CIF file Formula: - Br D4 N -
Comments: 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 75 (1953) 1536-1542
Space group: P m -3 m
Cell volume: 66.9
Cell parameters: 4.06; 4.06; 4.06; 90; 90; 90;  

COD ID: 1008129
CIF file Formula: - Br D4 N -
Comments: 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 75 (1953) 1536-1542
Space group: P 4/n m m :1
Cell volume: 140.4
Cell parameters: 5.826; 5.826; 4.136; 90; 90; 90;  

COD ID: 1008130
CIF file Formula: - K O4 Ru -
Comments: Silverman, M D; Levy, H A Crystal Structure of Potassium Perruthenate, K Ru O~4~ Journal of the American Chemical Society 76 (1954) 3317-3319
Space group: I 41/a :1
Cell volume: 408.7
Cell parameters: 5.609; 5.609; 12.991; 90; 90; 90;  

COD ID: 1008156
CIF file Formula: - F2 Xe -
Comments: Levy, H A; Agron, P A The Crystal and Molecular Structure of Xenon Difluoride by Neutron Diffraction Journal of the American Chemical Society 85 (1963) 241-242
Space group: I 4/m m m
Cell volume: 130.1
Cell parameters: 4.315; 4.315; 6.99; 90; 90; 90;  

COD ID: 1008920
CIF file Formula: - Br D4 N -
Comments: 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 75 (1953) 1536-1542
Space group: F m -3 m
Cell volume: 328.5
Cell parameters: 6.9; 6.9; 6.9; 90; 90; 90;  

COD ID: 1010049
CIF file Formula: - F7 K2 Nb -
Comments: Hoard, J L Structures of complex fluorides. Potassium heptafluocolumbate. The Configuration of the heptafluocolumbate and heptafluortantalate ions Journal of the American Chemical Society 61 (1939) 1252-1259
Space group: P 1 21/c 1
Cell volume: 630
Cell parameters: 5.85; 12.67; 8.5; 90; 90; 90;  

COD ID: 1010050
CIF file Formula: - F7 K2 Ta -
Comments: Hoard, J L Structures of complex fluorides. Potassium heptafluocolumbate. The Configuration of the heptafluocolumbate and heptafluortantalate ions Journal of the American Chemical Society 61 (1939) 1252-1259
Space group: P 1 21/c 1
Cell volume: 630
Cell parameters: 5.85; 12.67; 8.5; 90; 90; 90;  

COD ID: 1010073
CIF file Formula: - Cl2 Cs I -
Comments: Wyckoff, R W G The Crystal Structure of Cesium Dichloro-Iodide Journal of the American Chemical Society 42 (1920) 1100-1116
Space group: R -3 m :R
Cell volume: 64.5
Cell parameters: 4.06; 4.06; 4.06; 98.37; 98.37; 98.37;  

COD ID: 1010074
CIF file Formula: - Br H4 N -
Comments: Bartlett, G; Langmuir, I The Crystal Structure of the Ammonium Halides Above and Below the Transition Temperature Journal of the American Chemical Society 43 (1921) 84-91
Space group: F m -3 m
Cell volume: 328.5
Cell parameters: 6.9; 6.9; 6.9; 90; 90; 90;  

COD ID: 1010075
CIF file Formula: - H4 I N -
Comments: Bartlett, G; Langmuir, I The Crystal Structure of the Ammonium Halides Above and Below the Transition Temperature Journal of the American Chemical Society 43 (1921) 84-91
Space group: F m -3 m
Cell volume: 373.1
Cell parameters: 7.199; 7.199; 7.199; 90; 90; 90;  

COD ID: 1010076
CIF file Formula: - Br Cu -
Comments: Wyckoff, R W G; Posnjak, E The Crystal Structures of the Cuprous Halides Journal of the American Chemical Society 44 (1922) 30-36
Space group: F -4 3 m
Cell volume: 197.1
Cell parameters: 5.82; 5.82; 5.82; 90; 90; 90;  

COD ID: 1010077
CIF file Formula: - Cl6 K2 Sn -
Comments: Dickinson, R G The Crystal Structures of Potassium and Ammonium Chlorostannates Journal of the American Chemical Society 44 (1922) 276-288
Space group: F m -3 m
Cell volume: 988
Cell parameters: 9.96; 9.96; 9.96; 90; 90; 90;  

COD ID: 1010078
CIF file Formula: - Cl6 H8 N2 Sn -
Comments: Dickinson, R G The Crystal Structures of Potassium and Ammonium Chlorostannates Journal of the American Chemical Society 44 (1922) 276-288
Space group: F m -3 m
Cell volume: 1015.1
Cell parameters: 10.05; 10.05; 10.05; 90; 90; 90;  

COD ID: 1010079
CIF file Formula: - C4 K2 N4 Zn -
Comments: Dickinson, R G The Crystal Structures of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury Journal of the American Chemical Society 44 (1922) 774-784
Space group: F d -3 m :1
Cell volume: 1971.9
Cell parameters: 12.54; 12.54; 12.54; 90; 90; 90;  

COD ID: 1010080
CIF file Formula: - C4 Cd K2 N4 -
Comments: Dickinson, R G The Crystal Structures of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury Journal of the American Chemical Society 44 (1922) 774-784
Space group: F d -3 m :1
Cell volume: 2116.9
Cell parameters: 12.84; 12.84; 12.84; 90; 90; 90;  

COD ID: 1010081
CIF file Formula: - C4 Hg K2 N4 -
Comments: Dickinson, R G The Crystal Structure of Complex Cyanides of Potassium with Zinc, Cadmium and Mercury Journal of the American Chemical Society 44 (1922) 774-784
Space group: F d -3 m :1
Cell volume: 2077.6
Cell parameters: 12.76; 12.76; 12.76; 90; 90; 90;  

COD ID: 1010082
CIF file Formula: - Cl4 K2 Pd -
Comments: Dickinson, R G The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates Journal of the American Chemical Society 44 (1922) 2404-2411
Space group: P 4/m m m
Cell volume: 203.2
Cell parameters: 7.04; 7.04; 4.1; 90; 90; 90;  

COD ID: 1010083
CIF file Formula: - Cl4 K2 Pt -
Comments: Dickinson, R G The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates Journal of the American Chemical Society 44 (1922) 2404-2411
Space group: P 4/m m m
Cell volume: 201.8
Cell parameters: 6.99; 6.99; 4.13; 90; 90; 90;  

COD ID: 1010084
CIF file Formula: - Cl4 H8 N2 Pd -
Comments: Dickinson, R G The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates Journal of the American Chemical Society 44 (1922) 2404-2411
Space group: P 4/m m m
Cell volume: 221.5
Cell parameters: 7.21; 7.21; 4.26; 90; 90; 90;  

COD ID: 1010085
CIF file Formula: - F6 Fe H12 N3 -
Comments: Pauling, L The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate Journal of the American Chemical Society 46 (1924) 2738-2751
Space group: F -4 3 m
Cell volume: 753.6
Cell parameters: 9.1; 9.1; 9.1; 90; 90; 90;  

COD ID: 1010086
CIF file Formula: - Al F6 H12 N3 -
Comments: Pauling, L The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate Journal of the American Chemical Society 46 (1924) 2738-2751
Space group: F -4 3 m
Cell volume: 592.7
Cell parameters: 8.4; 8.4; 8.4; 90; 90; 90;  

COD ID: 1010087
CIF file Formula: - F3 H12 Mo N3 O3 -
Comments: Pauling, L The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate Journal of the American Chemical Society 46 (1924) 2738-2751
Space group: F -4 3 m
Cell volume: 753.6
Cell parameters: 9.1; 9.1; 9.1; 90; 90; 90;  

COD ID: 1010088
CIF file Formula: - N3 Na -
Comments: 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 47 (1925) 2904-2920
Space group: R -3 m :R
Cell volume: 57.9
Cell parameters: 5.481; 5.481; 5.481; 38.72; 38.72; 38.72;  

COD ID: 1010089
CIF file Formula: - K N3 -
Comments: 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 47 (1925) 2904-2920
Space group: I 4/m c m
Cell volume: 262
Cell parameters: 6.094; 6.094; 7.056; 90; 90; 90;  

COD ID: 1010090
CIF file Formula: - C K N O -
Comments: 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 47 (1925) 2904-2920
Space group: I 4/m c m
Cell volume: 259
Cell parameters: 6.07; 6.07; 7.03; 90; 90; 90;  

COD ID: 1010091
CIF file Formula: - I2 -
Comments: Harris, P M; Mack, E; Blake, F C The Atomic Arrangement in the Crystal of Orthorhombic Iodine Journal of the American Chemical Society 50 (1928) 1583-1600
Space group: C m c a
Cell volume: 340.2
Cell parameters: 7.255; 4.795; 9.78; 90; 90; 90;  

COD ID: 1010092
CIF file Formula: - H4 N2 O3 -
Comments: 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 54 (1932) 2766-2786
Space group: P -4
Cell volume: 164.7
Cell parameters: 5.74; 5.74; 5; 90; 90; 90;  

COD ID: 1010093
CIF file Formula: - Ni O -
Comments: 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 55 (1933) 527-533
Space group: F m -3 m
Cell volume: 72.4
Cell parameters: 4.1684; 4.1684; 4.1684; 90; 90; 90;  

COD ID: 1010094
CIF file Formula: - B F4 Rb -
Comments: Hoard, J L; Blair, V The Crystal Structures of Rubidium and Ammonium Fluoborates Journal of the American Chemical Society 57 (1935) 1985-1988
Space group: P n m a
Cell volume: 367.2
Cell parameters: 9.07; 5.6; 7.23; 90; 90; 90;  

COD ID: 1010095
CIF file Formula: - Ni O -
Comments: Smith, N The Structure of Thin Films of Metallic Oxides and Hydrates Journal of the American Chemical Society 58 (1936) 173-179
Space group: F m -3 m
Cell volume: 73
Cell parameters: 4.18; 4.18; 4.18; 90; 90; 90;  

COD ID: 1010096
CIF file Formula: - Br -
Comments: Vonnegut, B; Warren, B E The Structure of Crystalline Bromine Journal of the American Chemical Society 58 (1936) 2459-2461
Space group: C m c a
Cell volume: 651.2
Cell parameters: 16.67; 4.48; 8.72; 90; 90; 90;  

COD ID: 1010097
CIF file Formula: - Mn Se2 -
Comments: Elliott, N The Crystal Structure of Manganese Diselenide and Manganese Ditelluride Journal of the American Chemical Society 59 (1937) 1958-1962
Space group: P a -3
Cell volume: 264.2
Cell parameters: 6.417; 6.417; 6.417; 90; 90; 90;  

COD ID: 1010098
CIF file Formula: - H11 I N2 O6 -
Comments: Helmholz, L. The Crystal Structure of Ammonium Trihydrogen Paraperiodate, (N H~4~)~2~ H~3~ I O~6~ Journal of the American Chemical Society 59 (1937) 2036-2039
Space group: R -3 HR
Cell volume: 455
Cell parameters: 6.88; 6.88; 11.1; 90; 90; 120;  

COD ID: 1010099
CIF file Formula: - F7 H12 N3 Zr -
Comments: 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 60 (1938) 2702-2707
Space group: F m -3 m
Cell volume: 821.3
Cell parameters: 9.365; 9.365; 9.365; 90; 90; 90;  

COD ID: 1010100
CIF file Formula: - F7 K3 Zr -
Comments: 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 60 (1938) 2702-2707
Space group: F m -3 m
Cell volume: 717.2
Cell parameters: 8.951; 8.951; 8.951; 90; 90; 90;  

COD ID: 1010101
CIF file Formula: - F6 Ge K2 -
Comments: Hoard, J L; Vincent, W B Structures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate Journal of the American Chemical Society 61 (1939) 2849-2852
Space group: P -3 m 1
Cell volume: 127.2
Cell parameters: 5.62; 5.62; 4.65; 90; 90; 120;  

COD ID: 1010102
CIF file Formula: - F6 Ge H8 N2 -
Comments: Hoard, J L; Vincent, W B Ytructures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate Journal of the American Chemical Society 61 (1939) 2849-2852
Space group: P -3 m 1
Cell volume: 141.5
Cell parameters: 5.85; 5.85; 4.775; 90; 90; 120;  

COD ID: 1010103
CIF file Formula: - C8 H4 K4 Mo N8 O2 -
Comments: 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 61(10) (1939) 2853-2863
Space group: P n m a
Cell volume: 1680.8
Cell parameters: 16.55; 11.7; 8.68; 90; 90; 90;  

COD ID: 1010201
CIF file Formula: - Au2 Cl6 Cs2 -
Comments: 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 60 (1938) 1846-1851
Space group: I 4/m m m
Cell volume: 609.8
Cell parameters: 7.49; 7.49; 10.87; 90; 90; 90;  

COD ID: 1010202
CIF file Formula: - Ag Au Cl6 Cs2 -
Comments: 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 60 (1938) 1846-1851
Space group: I 4/m m m
Cell volume: 599.7
Cell parameters: 7.38; 7.38; 11.01; 90; 90; 90;  

COD ID: 1010203
CIF file Formula: - F2 I K O2 -
Comments: Helmholz, L; Rogers, M T The Crystal Structure of Potassium Fluoroiodate, K I O~2~ F~2~ Journal of the American Chemical Society 62 (1940) 1537-1542
Space group: P c a 21
Cell volume: 420.7
Cell parameters: 8.38; 5.97; 8.41; 90; 90; 90;  

COD ID: 1010204
CIF file Formula: - Br3 H18 Nd O18 -
Comments: Helmholz, L The Crystal Structure of Neodymium Enneahydrate, Nd (Br O~3~)~3~ (H~2~ O)~9~ Journal of the American Chemical Society 61 (1939) 1544-1550
Space group: P 63 m c
Cell volume: 805.5
Cell parameters: 11.73; 11.73; 6.76; 90; 90; 120;  

COD ID: 1010205
CIF file Formula: - Ba F6 Si -
Comments: Hoard, J L; Vincent, W B Structures of Complex Fluorides. Barium Fluorosilicate and Barium Fluorogermanate Journal of the American Chemical Society 62 (1940) 3126-3129
Space group: R -3 m :R
Cell volume: 103.7
Cell parameters: 4.75; 4.75; 4.75; 97.97; 97.97; 97.97;  

COD ID: 1010206
CIF file Formula: - Ba F6 Ge -
Comments: Hoard, J L; Vincent, W B Structures of Complex Fluorides. Barium Fluorosilicate and Barium Fluorogermanate Journal of the American Chemical Society 62 (1940) 3126-3129
Space group: R -3 m :R
Cell volume: 109
Cell parameters: 4.83; 4.83; 4.83; 98.02; 98.02; 98.02;  

COD ID: 1010376
CIF file Formula: - Cd Cl3 H4 N -
Comments: Brasseur, H; Pauling, L The Crystal Structure of Ammonium Cadmium Chloride, N H~4~ Cd Cl~3~ Journal of the American Chemical Society 60 (1938) 2886-2890
Space group: P n a m
Cell volume: 528.9
Cell parameters: 8.96; 14.87; 3.97; 90; 90; 90;  

COD ID: 1010377
CIF file Formula: - Cl Na O3 -
Comments: Dickinson, R G; Goodhue, E A The Crystal Structures of Sodium Chlorate and Sodium Bromate Journal of the American Chemical Society 43 (1921) 2045-2055
Space group: P 21 3
Cell volume: 282.3
Cell parameters: 6.56; 6.56; 6.56; 90; 90; 90;  

COD ID: 1010378
CIF file Formula: - Br Na O3 -
Comments: Dickinson, R G; Goodhue, E A The Crystal Structures of Sodium Chlorate and Sodium Bromate Journal of the American Chemical Society 43 (1921) 2045-2055
Space group: P 21 3
Cell volume: 302.1
Cell parameters: 6.71; 6.71; 6.71; 90; 90; 90;  

COD ID: 1010379
CIF file Formula: - Cl6 H8 N2 Pt -
Comments: Wyckoff, R W G; Posnjak, E The Crystal Structure of Ammonium Chloroplatinate Journal of the American Chemical Society 43 (1921) 2292-2309
Space group: F m -3 m
Cell volume: 953.6
Cell parameters: 9.843; 9.843; 9.843; 90; 90; 90;  

COD ID: 1010380
CIF file Formula: - F2 H K -
Comments: Helmholz, L; Rogers, M T A Redetermination of the Fluorine - Fluorine Distance in Potassium Bifluoride Journal of the American Chemical Society 61 (1939) 2590-2592
Space group: I 4/m c m
Cell volume: 218.9
Cell parameters: 5.67; 5.67; 6.81; 90; 90; 90;  

COD ID: 1010381
CIF file Formula: - Ni O -
Comments: Thomassen, L An X-Ray Investigation of the System Cr~2~ O~3~ - Ni O Journal of the American Chemical Society 62 (1940) 1134-1135
Space group: F m -3 m
Cell volume: 72.5
Cell parameters: 4.17; 4.17; 4.17; 90; 90; 90;  

COD ID: 1010389
CIF file Formula: - Cl6 Cs2 Ge -
Comments: 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 62 (1940) 546-548
Space group: F m -3 m
Cell volume: 1064.3
Cell parameters: 10.21; 10.21; 10.21; 90; 90; 90;  

COD ID: 1010390
CIF file Formula: - F2 H5 N -
Comments: Rogers, M T; Helmholz, L A Redetermination of the Parameters in Ammonium Bifluoride Journal of the American Chemical Society 62 (1940) 1533-1536
Space group: P m a n
Cell volume: 254.3
Cell parameters: 8.426; 8.18; 3.69; 90; 90; 90;  

COD ID: 1010391
CIF file Formula: - K N3 -
Comments: Frevel, L K The Configuration of the Azide Ion Journal of the American Chemical Society 58 (1936) 779-782
Space group: I 4/m c m
Cell volume: 262
Cell parameters: 6.094; 6.094; 7.056; 90; 90; 90;  

COD ID: 1010392
CIF file Formula: - N3 Na -
Comments: Frevel, L K The Configuration of the Azide Ion Journal of the American Chemical Society 58 (1936) 779-782
Space group: R -3 m :R
Cell volume: 57.9
Cell parameters: 5.481; 5.481; 5.481; 38.72; 38.72; 38.72;  

COD ID: 1010609
CIF file Formula: - As4 O6 -
Comments: Bozorth, R M The crystal structures of the cubic forms of arsenious and antimonous oxide Journal of the American Chemical Society 45 (1923) 1621-1627
Space group: F d -3 m :1
Cell volume: 1352.9
Cell parameters: 11.06; 11.06; 11.06; 90; 90; 90;  

COD ID: 1010610
CIF file Formula: - I4 Sn -
Comments: Dickinson, R G The crystal structure of tin tetraiodide Journal of the American Chemical Society 45 (1923) 958-962
Space group: P a -3
Cell volume: 1829.3
Cell parameters: 12.23; 12.23; 12.23; 90; 90; 90;  

COD ID: 1010623
CIF file Formula: - Ag2 Mo O4 -
Comments: Wyckoff, R W G The crystal structure of silver molybdate Journal of the American Chemical Society 44 (1922) 1994-1997
Space group: F d -3 m :1
Cell volume: 794
Cell parameters: 9.26; 9.26; 9.26; 90; 90; 90;  

COD ID: 1010624
CIF file Formula: - I Na O4 -
Comments: Kirkpatrick, L M; Dickinson, R G The crystal structure of sodium periodate Journal of the American Chemical Society 48 (1927) 2327-2334
Space group: I 41/a :1
Cell volume: 337.9
Cell parameters: 5.322; 5.322; 11.93; 90; 90; 90;  

COD ID: 1010626
CIF file Formula: - H18 N8 Ni O6 -
Comments: Wyckoff, R W G The composition and crystal structure of nickel nitrate hexammoniate Journal of the American Chemical Society 44 (1922) 1260-1266
Space group: P a -3
Cell volume: 1316.5
Cell parameters: 10.96; 10.96; 10.96; 90; 90; 90;  

COD ID: 1010849
CIF file Formula: - H4 O7 Pb5 -
Comments: Clark, G L; Tyler, W P On Lead Oxides. II. Hydrous, Normal and Active Lead Monoxides Journal of the American Chemical Society 61 (1939) 58-65
Space group:
Cell volume: 168.8
Cell parameters: 5.93; 4.65; 6.36; 90; 105.78; 90;  

COD ID: 1010850
CIF file Formula: - Cr H24 O20 S2 Tl -
Comments: Klug, H P Crystal-Chemical Studies of the Alums. II. The Purple Chrome Alums Journal of the American Chemical Society 62 (1940) 2992-2993
Space group:
Cell volume: 1832.9
Cell parameters: 12.238; 12.238; 12.238; 90; 90; 90;  

COD ID: 1010851
CIF file Formula: - H32 Mo7 N6 O28 -
Comments: Sturdivant, J H The Formula of Ammonium Paramolybdate Journal of the American Chemical Society 59 (1937) 630-631
Space group: P 1 21/c 1
Cell volume: 2847.8
Cell parameters: 8.382; 36.125; 10.464; 90; 116; 90;  

COD ID: 1010854
CIF file Formula: - Cl2 H18 N6 Ni -
Comments: Wyckoff, R W G The crystal structures of the hexaammoniates of the nickel halides Journal of the American Chemical Society 44 (1922) 1239-1245
Space group: F m -3
Cell volume: 1027.2
Cell parameters: 10.09; 10.09; 10.09; 90; 90; 90;  

COD ID: 1010855
CIF file Formula: - Br2 H18 N6 Ni -
Comments: Wyckoff, R W G The crystal structures of the hexaammoniates of the nickel halides Journal of the American Chemical Society 44 (1922) 1239-1245
Space group:
Cell volume: 1151
Cell parameters: 10.48; 10.48; 10.48; 90; 90; 90;  

COD ID: 1010856
CIF file Formula: - H18 I2 N6 Ni -
Comments: Wyckoff, R W G The crystal structures of the hexaammoniates of the nickel halides Journal of the American Chemical Society 44 (1922) 1239-1245
Space group:
Cell volume: 1334.6
Cell parameters: 11.01; 11.01; 11.01; 90; 90; 90;  

COD ID: 1010914
CIF file Formula: - Al2 O3 -
Comments: Pauling, L; Hendricks, S B Crystal Structures of Hematite and Corundum Journal of the American Chemical Society 47 (1925) 781-790
Space group: R -3 c :R
Cell volume: 84.5
Cell parameters: 5.12; 5.12; 5.12; 55.28; 55.28; 55.28;  

COD ID: 1010928
CIF file Formula: - C Ca O3 -
Comments: 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 59 (1937) 1380-1382
Space group: R -3 c RS
Cell volume: 121.9
Cell parameters: 6.36; 6.36; 6.36; 46.1; 46.1; 46.1;  

COD ID: 1010929
CIF file Formula: - Cu Fe S2 -
Comments: Burdick, C L; Ellis, J H The Crystal Structure of Chalcopyrite Determined by X-Rays Journal of the American Chemical Society 39 (1917) 2519-2525
Space group: F -4 3 m
Cell volume: 142.9
Cell parameters: 5.228; 5.228; 5.228; 90; 90; 90;  

COD ID: 1010977
CIF file Formula: - O Pb -
Comments: Dickinson, R G; Friauf, J B The crystal structure of tetragonal lead monoxide Journal of the American Chemical Society 46 (1924) 2457-2462
Space group: P 4/n m m :1
Cell volume: 79.8
Cell parameters: 3.99; 3.99; 5.01; 90; 90; 90;  

COD ID: 1010991
CIF file Formula: - Cl Cu -
Comments: Wyckoff, R W G; Posnjak, E The Crystal Structures of the Cuprous Halides Journal of the American Chemical Society 44 (1922) 30-36
Space group: F -4 3 m
Cell volume: 166.5
Cell parameters: 5.501; 5.501; 5.501; 90; 90; 90;  

COD ID: 1010992
CIF file Formula: - F6 H8 N2 Si -
Comments: Bozorth, R M The Crystal Structure of Ammonium Fluosilicate Journal of the American Chemical Society 44 (1922) 1066-1070
Space group: F m -3 m
Cell volume: 588.5
Cell parameters: 8.38; 8.38; 8.38; 90; 90; 90;  

COD ID: 1010993
CIF file Formula: - Mo S2 -
Comments: Dickinson, R G; Pauling, L The Crystal Structure of Molybdenite Journal of the American Chemical Society 45 (1923) 1466-1471
Space group: P 63/m m c
Cell volume: 105.7
Cell parameters: 3.15; 3.15; 12.3; 90; 90; 120;  

COD ID: 1010994
CIF file Formula: - O2 Se -
Comments: McCullough, J D The Crystal Structure of Selenium Dioxide Journal of the American Chemical Society 59 (1937) 789-794
Space group: P 42/m b c
Cell volume: 352.4
Cell parameters: 8.353; 8.353; 5.051; 90; 90; 90;  

COD ID: 1011029
CIF file Formula: - N Na O3 -
Comments: 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 59 (1937) 1380-1382
Space group: R -3 c :R
Cell volume: 124.5
Cell parameters: 6.32; 6.32; 6.32; 47.25; 47.25; 47.25;  

COD ID: 1011030
CIF file Formula: - Cr2 Ni O4 -
Comments: Thomassen, L An X-Ray Investigation of the System Cr2 O3 - Ni O Journal of the American Chemical Society 62 (1940) 1134-1136
Space group: F d -3 m :1
Cell volume: 571.6
Cell parameters: 8.299; 8.299; 8.299; 90; 90; 90;  

COD ID: 1011031
CIF file Formula: - C Si -
Comments: Burdick, C L; Owen, E A The Atomic Structure of Carborundum Determined by X-Rays Journal of the American Chemical Society 40 (1918) 1749-1759
Space group: F -4 3 m
Cell volume: 82.8
Cell parameters: 4.358; 4.358; 4.358; 90; 90; 90;  

COD ID: 1011065
CIF file Formula: - Cl4 Cu H4 K2 O2 -
Comments: Hendricks, S B; Dickinson, R G The Crystal Structure of ammonium, potassium and rubidium cupric chloride dihydrates Journal of the American Chemical Society 49 (1927) 2149-2162
Space group: P 42/m n m
Cell volume: 437.4
Cell parameters: 7.45; 7.45; 7.88; 90; 90; 90;  

COD ID: 1011075
CIF file Formula: - Hg2 I2 -
Comments: Huggins, M L; Magill, P L The crystal stuctures of mercuric and mercurous iodides Journal of the American Chemical Society 49 (1927) 2357-2367
Space group: I -4 m 2
Cell volume: 281.8
Cell parameters: 4.92; 4.92; 11.64; 90; 90; 90;  

COD ID: 1011076
CIF file Formula: - Cl2 Hg2 -
Comments: Havighurst, R J Parameters in crystal structure. The mercurous halides Journal of the American Chemical Society 48 (1926) 2113-2130
Space group: I 4/m m m
Cell volume: 217.6
Cell parameters: 4.47; 4.47; 10.89; 90; 90; 90;  

COD ID: 1011077
CIF file Formula: - Br2 Hg2 -
Comments: Havighurst, R J Parameters in crystal structure. The mercurouos halides Journal of the American Chemical Society 48 (1926) 2113-2131
Space group: P 42/m n m
Cell volume: 241.5
Cell parameters: 4.66; 4.66; 11.12; 90; 90; 90;  

COD ID: 1011078
CIF file Formula: - Hg2 I2 -
Comments: Havighurst, R J Parameters in crystal structure. The mercurous halides Journal of the American Chemical Society 48 (1926) 2113-2125
Space group: P 42/m n m
Cell volume: 281
Cell parameters: 4.92; 4.92; 11.61; 90; 90; 90;  

COD ID: 1011079
CIF file Formula: - H4 N2 O3 -
Comments: West, C. D. The crystal structure of rhombic ammonium nitrate Journal of the American Chemical Society 54(6) (1932) 2256-2260
Space group: P n m m :1
Cell volume: 153.6
Cell parameters: 4.928; 5.438; 5.732; 90; 90; 90;  

COD ID: 1011129
CIF file Formula: - Cl H4 N -
Comments: Bartlett, G; Langmuir, I The crystal structure of the ammonium halides above and below the transition temperature Journal of the American Chemical Society 43 (1921) 84-91
Space group: P m -3 m
Cell volume: 57.9
Cell parameters: 3.868; 3.868; 3.868; 90; 90; 90;  

COD ID: 1011130
CIF file Formula: - Cl H4 N -
Comments: Bartlett, G; Langmuir, I The crystal structure of the ammonium halides above and below the transition temperature Journal of the American Chemical Society 43 (1921) 84-91
Space group: F m -3 m
Cell volume: 278.8
Cell parameters: 6.533; 6.533; 6.533; 90; 90; 90;  

COD ID: 1011131
CIF file Formula: - H4 N2 O3 -
Comments: 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 54 (1932) 2766-2786
Space group: P m -3 m
Cell volume: 85.2
Cell parameters: 4.4; 4.4; 4.4; 90; 90; 90;  

COD ID: 1011132
CIF file Formula: - H4 N2 O3 -
Comments: 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 54 (1932) 2766-2786
Space group: P b n m
Cell volume: 313.7
Cell parameters: 7.06; 7.66; 5.8; 90; 90; 90;  

COD ID: 1011133
CIF file Formula: - H4 N2 O3 -
Comments: 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 54 (1932) 2766-2786
Space group: P m m n :1
Cell volume: 155.4
Cell parameters: 5.75; 5.45; 4.96; 90; 90; 90;  

COD ID: 1011134
CIF file Formula: - H2 Ni O2 -
Comments: 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 55 (1933) 527-533
Space group: P -3 m 1
Cell volume: 38.8
Cell parameters: 3.114; 3.114; 4.617; 90; 90; 120;  

COD ID: 1011135
CIF file Formula: - B F4 H4 N -
Comments: Hoard, J L; Blair, V The crystal structures of rubidium and ammonium fluoborates Journal of the American Chemical Society 57 (1935) 1985-1988
Space group: P n m a
Cell volume: 369.4
Cell parameters: 9.06; 5.64; 7.23; 90; 90; 90;  

COD ID: 1011170
CIF file Formula: - Mo O4 Pb -
Comments: Dickinson, R G The crystal structure of wulfenite and scheelite Journal of the American Chemical Society 42 (1920) 85-93
Space group: I 41/a :1
Cell volume: 361.4
Cell parameters: 5.47; 5.47; 12.08; 90; 90; 90;  

COD ID: 1011171
CIF file Formula: - Ca O4 W -
Comments: Dickinson, R G The crystal structure of wulfenite and scheelite Journal of the American Chemical Society 42 (1920) 85-93
Space group: I 41/a :1
Cell volume: 360.1
Cell parameters: 5.62; 5.62; 11.4; 90; 90; 90;  

COD ID: 1011218
CIF file Formula: - O6 Sb4 -
Comments: Bozorth, R M The crystal structures of the cubic forms of arsenious and antimonous oxides Journal of the American Chemical Society 45 (1923) 1621-1627
Space group: F d -3 m :1
Cell volume: 1382.5
Cell parameters: 11.14; 11.14; 11.14; 90; 90; 90;  

COD ID: 1011239
CIF file Formula: - Cu I -
Comments: Wyckoff, R W G; Posnjak, E The crystal structures of the cuprous halides Journal of the American Chemical Society 44 (1922) 30-36
Space group: F -4 3 m
Cell volume: 227
Cell parameters: 6.1; 6.1; 6.1; 90; 90; 90;  

COD ID: 1011240
CIF file Formula: - Fe2 O3 -
Comments: Pauling, L; Hendricks, S B The Structure of Hematite Journal of the American Chemical Society 47 (1925) 781-790
Space group: R -3 c :R
Cell volume: 100.8
Cell parameters: 5.43; 5.43; 5.43; 55.28; 55.28; 55.28;  

COD ID: 1011300
CIF file Formula: - Br H4 N -
Comments: Bartlett, G; Langmuir, I The crystal structure of the ammonium halides above and below the transition temperature Journal of the American Chemical Society 43 (1921) 84-91
Space group: P m -3 m
Cell volume: 63.4
Cell parameters: 3.988; 3.988; 3.988; 90; 90; 90;  

COD ID: 1011352
CIF file Formula: - Mn Te2 -
Comments: Elliott, N The crystal structure of manganese diselenide and manganese ditelluride Journal of the American Chemical Society 59 (1937) 1958-1962
Space group: P a -3
Cell volume: 334.7
Cell parameters: 6.943; 6.943; 6.943; 90; 90; 90;  

COD ID: 1100027
CIF file Formula: - O Sr -
Comments: 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 70 (1948) 2043-2046
Space group: F m -3 m
Cell volume: 135.8
Cell parameters: 5.1396; 5.1396; 5.1396; 90; 90; 90;  

COD ID: 1100166
CIF file Formula: - C44.75 H32 Ag O2 P2 -
Comments: 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 126 (2004) 5360-5361
Space group: C 1 2/c 1
Cell volume: 3747.4
Cell parameters: 17.417; 21.402; 11.298; 90; 117.15; 90;  

COD ID: 1100178
CIF file Formula: - C25 H24 N2 O6 -
Comments: Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules Journal of the American Chemical Society 122(41) (2000) 10218-10219
Space group: P -1
Cell volume: 1112.04
Cell parameters: 7.842; 12.127; 12.973; 65.76; 86.43; 81.31;  

COD ID: 1100179
CIF file Formula: - C18 H22 O -
Comments: Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules Journal of the American Chemical Society 122(41) (2000) 10218-10219
Space group: R 3 :H
Cell volume: 3372.15
Cell parameters: 23.056; 23.056; 7.325; 90; 90; 120;  

COD ID: 1100180
CIF file Formula: - C17 H20 O -
Comments: Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules Journal of the American Chemical Society 122(41) (2000) 10218-10219
Space group: R 3 :H
Cell volume: 3272.75
Cell parameters: 22.864; 22.864; 7.229; 90; 90; 120;  

COD ID: 1100289
CIF file Formula: - C20 H19 N O3 -
Comments: 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 109(3) (1987) 921-923
Space group: P 1 21 1
Cell volume: 1708.04
Cell parameters: 9.191; 16.567; 11.465; 90; 101.93; 90;  

COD ID: 1100296
CIF file Formula: - C10 H16 Li N O -
Comments: 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 110(20) (1988) 6925-6926
Space group: P 1 21/c 1
Cell volume: 2155.72
Cell parameters: 11.493; 9.567; 19.636; 90; 93.18; 90;  

COD ID: 1100358
CIF file Formula: - C15 H37 Li N2 Si2 -
Comments: 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 114(5) (1992) 1562-1565
Space group: C 1 2/c 1
Cell volume: 4452.29
Cell parameters: 19.69; 11.788; 19.56; 90; 101.28; 90;  

COD ID: 1100374
CIF file Formula: - C25 H25 Fe P5 -
Comments: 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 116(14) (1994) 6217-6219
Space group: P 1 2/n 1
Cell volume: 2465.61
Cell parameters: 16.01; 9.727; 16.193; 90; 102.11; 90;  

COD ID: 1100430
CIF file Formula: - C13 H11 D O2 V -
Comments: 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 119(32) (1997) 7452-7457
Space group: P 1 21/n 1
Cell volume: 1069.31
Cell parameters: 6.993; 16.539; 9.554; 90; 104.6; 90;  

COD ID: 1100431
CIF file Formula: - C13 H12 O2 V -
Comments: 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 119(32) (1997) 7452-7457
Space group: P 1 21/n 1
Cell volume: 1066.33
Cell parameters: 6.98; 16.541; 9.544; 90; 104.6; 90;  

COD ID: 1100432
CIF file Formula: - C26 H22 O3 V2 -
Comments: 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 119(32) (1997) 7452-7457
Space group: P 1 21/n 1
Cell volume: 4145.26
Cell parameters: 13.534; 23.276; 13.582; 90; 104.34; 90;  

COD ID: 1100463
CIF file Formula: - C8 H10 I N3 -
Comments: 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 118 (1996) 4925-4930
Space group: P n m a
Cell volume: 1003.32
Cell parameters: 8.973; 6.542; 17.092; 90; 90; 90;  

COD ID: 1100464
CIF file Formula: - C10 H12 I N3 -
Comments: 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 118 (1996) 4925-4930
Space group: C 1 2/c 1
Cell volume: 2318.78
Cell parameters: 26.993; 5.599; 15.917; 90; 105.44; 90;  

COD ID: 1100502
CIF file Formula: - C23 H48 Cl6 N2 O10 Ti2 -
Comments: 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 118(11) (1996) 2770-2771
Space group: P -1
Cell volume: 1181.21
Cell parameters: 10.363; 10.397; 12.137; 92.88; 109.44; 104.47;  

COD ID: 1100584
CIF file Formula: - C24 H30 N2 O5 -
Comments: 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 121 (1999) 10650-10651
Space group: P -1
Cell volume: 1065.85
Cell parameters: 8.145; 11.17; 13.241; 105.19; 106.46; 101.38;  

COD ID: 1100873
CIF file Formula: - C38 H42 O13 P Pt Ru5 -
Comments: 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 126(10) (2004) 3042-3043
Space group: P -1
Cell volume: 2275.91
Cell parameters: 12.6218; 13.3776; 14.3654; 92.678; 91.051; 109.958;  

COD ID: 1100918
CIF file Formula: - C19 H29 Co N6 O4 -
Comments: 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 103 (1981) 5805-5812
Space group: P 1 21 1
Cell volume: 1125.35
Cell parameters: 8.638; 13.833; 9.537; 90; 99.06; 90;  

COD ID: 1101222
CIF file Formula: - C24 H118 Al6 N16 O65 P12 Zn3 -
Comments: 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 125 (2003) 9102-9110
Space group: P -4 3 n
Cell volume: 4736.72
Cell parameters: 16.7942; 16.7942; 16.7942; 90; 90; 90;  

COD ID: 1101223
CIF file Formula: - H1262 K43 Mo214 Na11 O1404 S12 V34 -
Comments: 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 128(16) (2006) 5336-5337
Space group: C 1 2/m 1
Cell volume: 75763
Cell parameters: 46.324; 42.268; 41.896; 90; 112.549; 90;  

COD ID: 1516253
CIF file Formula: - C6 H3 F N3 S4 -
Comments: 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 136(22) (2014) 8050
Space group: P 1 21/c 1
Cell volume: 954.8
Cell parameters: 4.789; 12.683; 16.599; 90; 71.26; 90;  

COD ID: 1516254
CIF file Formula: - C6 H3 F N3 S4 -
Comments: 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 136(22) (2014) 8050
Space group: P 1 21/n 1
Cell volume: 1841.8
Cell parameters: 17.301; 4.0582; 26.249; 90; 92.074; 90;  

COD ID: 1516255
CIF file Formula: - C12 H6 F2 N6 S8 -
Comments: 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 136(22) (2014) 8050
Space group: P 1 21/c 1
Cell volume: 914.8
Cell parameters: 4.6011; 12.7317; 15.9122; 90; 78.949; 90;  

COD ID: 1516256
CIF file Formula: - C12 H6 F2 N6 S8 -
Comments: 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 136(22) (2014) 8050
Space group: P 1 21/c 1
Cell volume: 808.83
Cell parameters: 4.12168; 13.2722; 14.8586; 90; 84.318; 90;  

COD ID: 1516257
CIF file Formula: - C6 H3 F N3 S4 -
Comments: 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 136(22) (2014) 8050
Space group: P 1 21/c 1
Cell volume: 954.7
Cell parameters: 4.789; 12.683; 16.281; 90; 74.89; 90;  

COD ID: 1516258
CIF file Formula: - C12 H6 F2 N6 S8 -
Comments: 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 136(22) (2014) 8050
Space group: P 1 21/c 1
Cell volume: 753.42
Cell parameters: 3.86543; 13.4994; 14.4694; 90; 86.261; 90;  

COD ID: 1520022
CIF file Formula: - C12 H13 Cl O2 -
Comments: 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 137(22) (2015) 7091-7094
Space group: P 21 21 21
Cell volume: 1124.6
Cell parameters: 5.8119; 10.51; 18.411; 90; 90; 90;  

COD ID: 2000026
CIF file Formula: - C84 H156 P6 S8 W6 -
Comments: 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 124(31) (2002) 9229-9240
Space group: P -1
Cell volume: 4728.23
Cell parameters: 15.0562; 16.2762; 20.488; 88.98; 74.256; 78.297;  

COD ID: 2000043
CIF file Formula: - C69 H98 N5 P S8 W6 -
Comments: 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 124(31) (2002) 9229-9240
Space group: P 1 21/c 1
Cell volume: 7593.56
Cell parameters: 16.1816; 15.9178; 29.4907; 90; 91.4768; 90;  

COD ID: 2000044
CIF file Formula: - C42 H86 N2 P4 S8 W6 -
Comments: 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 124 (2002) 9229-9240
Space group: P 1 21/n 1
Cell volume: 6169.27
Cell parameters: 15.8389; 19.4806; 20.0882; 90; 95.542; 90;  

COD ID: 2000045
CIF file Formula: - C40 H83 N2 P5 S8 W6 -
Comments: 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 124 (2002) 9229-9240
Space group: P -1
Cell volume: 5952.08
Cell parameters: 12.024; 21.356; 25.107; 112.39; 92.58; 90.68;  

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

COD ID: 4060000
CIF file Formula: - C42 H52 O6 -
Comments: Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai Total Synthesis of Absinthin Journal of the American Chemical Society 127 (2005) 18-19
Space group: P 21 21 21
Cell volume: 3727.6
Cell parameters: 8.574; 15.235; 28.536; 90; 90; 90;  

COD ID: 4060001
CIF file Formula: - C34 H44 O8 -
Comments: Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai Total Synthesis of Absinthin Journal of the American Chemical Society 127 (2005) 18-19
Space group: P 21 21 21
Cell volume: 3235.8
Cell parameters: 9.9596; 11.4051; 28.487; 90; 90; 90;  

COD ID: 4060002
CIF file Formula: - C28 H18 F4 N6 Pt2 -
Comments: 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 127 (2005) 28-29
Space group: P -1
Cell volume: 1272.2
Cell parameters: 9.081; 12.134; 13.362; 73.149; 71.641; 68.191;  

COD ID: 4060003
CIF file Formula: - C32 H26 F4 N6 Pt2 -
Comments: 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 127 (2005) 28-29
Space group: P -1
Cell volume: 1495.6
Cell parameters: 10.157; 10.574; 15.057; 103.412; 100.633; 101.514;  

COD ID: 4060004
CIF file Formula: - C38 H38 F4 N6 Pt2 -
Comments: 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 127 (2005) 28-29
Space group: P 1 21/n 1
Cell volume: 3558.9
Cell parameters: 10.0382; 20.024; 17.864; 90; 97.633; 90;  

COD ID: 4060005
CIF file Formula: - C44 H50 F4 N6 Pt2 -
Comments: 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 127 (2005) 28-29
Space group: P 1 21/n 1
Cell volume: 4088.7
Cell parameters: 18.549; 10.512; 21.43; 90; 101.912; 90;  

COD ID: 4060006
CIF file Formula: - C21 H22 B F2 N5 Pt -
Comments: 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 127 (2005) 28-29
Space group: P -1
Cell volume: 1028.37
Cell parameters: 8.5663; 9.4344; 12.8913; 90.838; 95.492; 97.262;  

COD ID: 4060007
CIF file Formula: - C17 H21 F6 N3 S -
Comments: 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 127 (2005) 119-125
Space group: P c c n
Cell volume: 3818.5
Cell parameters: 17.8302; 23.4425; 9.1356; 90; 90; 90;  

COD ID: 4060008
CIF file Formula: - C16 H19 N O5 -
Comments: 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 127 (2005) 119-125
Space group: P 1 21 1
Cell volume: 760
Cell parameters: 8.34; 11.15; 8.538; 90; 106.8; 90;  

COD ID: 4060009
CIF file Formula: - C20 H19 N O5 -
Comments: 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 127 (2005) 119-125
Space group: P 1 21 1
Cell volume: 3511
Cell parameters: 11.367; 11.559; 26.73; 90; 90.02; 90;  

COD ID: 4060010
CIF file Formula: - C21 H19 Br Cl3 N O5 -
Comments: 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 127 (2005) 119-125
Space group: P 21 21 21
Cell volume: 2228
Cell parameters: 8.509; 11.225; 23.33; 90; 90; 90;  

COD ID: 4060011
CIF file Formula: - C69 H67 Cl O18 -
Comments: Taizoon Canteenwala; Prashant A. Padmawar; Long Y. Chiang Intense Near-Infrared Optical Absorbing Emerald Green [60]Fullerenes Journal of the American Chemical Society 127 (2005) 26-27
Space group: P -1
Cell volume: 3656.88
Cell parameters: 14.09; 15.066; 18.405; 70.22; 87.22; 84.14;  

COD ID: 4060012
CIF file Formula: - C34 H16 B2 F24 O4 -
Comments: 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 127 (2005) 46-47
Space group: P -1
Cell volume: 1798.1
Cell parameters: 9.796; 12.566; 15.497; 71.611; 86.79; 83.47;  

COD ID: 4060013
CIF file Formula: - C24 H27 N O6 -
Comments: 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 127 (2005) 50-51
Space group: P 1 21 1
Cell volume: 1081
Cell parameters: 11.615; 6.6412; 14.076; 90; 95.389; 90;  

COD ID: 4060014
CIF file Formula: - C34 H59 Ce -
Comments: 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 127 (2005) 279-292
Space group: P 1 21/n 1
Cell volume: 3235.5
Cell parameters: 9.2454; 34.141; 10.872; 90; 109.476; 90;  

COD ID: 4060015
CIF file Formula: - C40 H58 Ce F5 -
Comments: 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 127 (2005) 279-292
Space group: P -1
Cell volume: 1871.7
Cell parameters: 10.14; 12.213; 15.632; 85.86; 81.146; 78.336;  

COD ID: 4060016
CIF file Formula: - C25 H55 Hf P Si6 -
Comments: Roland Fischer; Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner Synthesis of a Hafnocene Disilene Complex Journal of the American Chemical Society 127 (2005) 70-71
Space group: P b c n
Cell volume: 6978
Cell parameters: 16.487; 22.667; 18.672; 90; 90; 90;  

COD ID: 4060017
CIF file Formula: - C10.17 H11 Cl0.25 N O P2 -
Comments: 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 127(1) (2005) 331-336
Space group: R -3 :H
Cell volume: 5687.2
Cell parameters: 21.5254; 21.5254; 14.173; 90; 90; 120;  

COD ID: 4060018
CIF file Formula: - C14 H15 N O5 P2 W -
Comments: 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 127(1) (2005) 331-336
Space group: P b c a
Cell volume: 3469.3
Cell parameters: 8.6521; 17.2931; 23.187; 90; 90; 90;  

COD ID: 4060019
CIF file Formula: - C13 H15 Br N O4 P2 Re -
Comments: 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 127(1) (2005) 331-336
Space group: P 21 21 21
Cell volume: 1761.5
Cell parameters: 6.5297; 13.6202; 19.8064; 90; 90; 90;  

COD ID: 4060020
CIF file Formula: - Gd5 Ge1.95 Si2.05 -
Comments: 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 127 (2005) 317-324
Space group: P n m a
Cell volume: 875.9
Cell parameters: 7.5359; 14.847; 7.8287; 90; 90; 90;  

COD ID: 4060021
CIF file Formula: - Gd5 Ge1.99 Si2.02 -
Comments: 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 127 (2005) 317-324
Space group: P 1 1 21/a
Cell volume: 873.26
Cell parameters: 7.5856; 14.81; 7.7855; 90; 90; 93.223;  

COD ID: 4060193
CIF file Formula: - C30 H22 N6 O2 -
Comments: 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 126 (2004) 223-236
Space group: P 1 21/n 1
Cell volume: 2349.3
Cell parameters: 16.046; 7.434; 20.025; 90; 100.42; 90;  

COD ID: 4060194
CIF file Formula: - C30 H20 N6 Ni O2 -
Comments: 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 126 (2004) 223-236
Space group: P n m a
Cell volume: 5823
Cell parameters: 17.985; 26.557; 12.191; 90; 90; 90;  

COD ID: 4060195
CIF file Formula: - C32 H24 N6 Ni O4 -
Comments: 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 126 (2004) 223-236
Space group: P -1
Cell volume: 1266
Cell parameters: 8.082; 11.956; 13.813; 84.49; 89.44; 72.38;  

COD ID: 4060196
CIF file Formula: - C96 H78 Cl6 N12 Ni2 O9 -
Comments: 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 126 (2004) 223-236
Space group: P -1
Cell volume: 4270.1
Cell parameters: 14.017; 15.085; 21.778; 99.55; 108.7; 93.39;  

COD ID: 4060197
CIF file Formula: - C23 H30 Co4 O14 Yb -
Comments: 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 126 (2004) 204-213
Space group: P b c a
Cell volume: 6371.1
Cell parameters: 16.3884; 19.5173; 19.9185; 90; 90; 90;  

COD ID: 4060198
CIF file Formula: - C23 H30 Co4 Eu O14 -
Comments: 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 126 (2004) 204-213
Space group: P b c a
Cell volume: 6491.3
Cell parameters: 16.3813; 19.7197; 20.0949; 90; 90; 90;  

COD ID: 4060199
CIF file Formula: - C23 H28 Co4 O14 Yb -
Comments: 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 126 (2004) 204-213
Space group: P 1 21/n 1
Cell volume: 3159.3
Cell parameters: 11.1607; 16.3616; 17.4351; 90; 97.108; 90;  

COD ID: 4060200
CIF file Formula: - C31 H40 Co4 Eu O16 -
Comments: 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 126 (2004) 204-213
Space group: C 2 2 21
Cell volume: 3881.4
Cell parameters: 12.4723; 17.2458; 18.0452; 90; 90; 90;  

COD ID: 4060201
CIF file Formula: - C31 H29 N4 O2 -
Comments: 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 126 (2004) 58-59
Space group: C 1 2/c 1
Cell volume: 5106.8
Cell parameters: 37.16; 6.127; 24.091; 90; 111.392; 90;  

COD ID: 4060202
CIF file Formula: - C32 H31 Cl3 N4 O6 -
Comments: 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 126 (2004) 58-59
Space group: P -1
Cell volume: 1577.2
Cell parameters: 10.2817; 11.2323; 15.539; 80.704; 77.666; 64.483;  

COD ID: 4060203
CIF file Formula: - C27 H27 F5 I N O -
Comments: 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 126 (2004) 16-17
Space group: P -1
Cell volume: 1248.6
Cell parameters: 5.477; 11.963; 19.287; 95.137; 93.217; 96.157;  

COD ID: 4060204
CIF file Formula: - C7 H14 Cl N3 O4 -
Comments: 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 126(1) (2004) 379-384
Space group: P 21 21 21
Cell volume: 1044.42
Cell parameters: 5.2258; 8.7007; 22.97; 90; 90; 90;  

COD ID: 4060205
CIF file Formula: - C9 H18 Cl N3 O4 -
Comments: 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 126(1) (2004) 379-384
Space group: P 21 21 21
Cell volume: 1261.8
Cell parameters: 6.989; 8.2684; 21.834; 90; 90; 90;  

COD ID: 4060206
CIF file Formula: - C33 H44 N6 O19 S4 -
Comments: 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 126 (2004) 2-3
Space group: P -1
Cell volume: 4325.9
Cell parameters: 13.6343; 14.1508; 23.889; 86.844; 82.792; 71.115;  

COD ID: 4060207
CIF file Formula: - C24 H19 N8 -
Comments: 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 126 (2004) 291-294
Space group: P -1
Cell volume: 1023.6
Cell parameters: 7.7607; 10.097; 13.895; 89; 84.063; 70.988;  

COD ID: 4060208
CIF file Formula: - C24 H19 N8 -
Comments: 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 126 (2004) 291-294
Space group: P -1
Cell volume: 1060
Cell parameters: 7.8164; 10.3585; 14.02; 88; 83.944; 69.911;  

COD ID: 4060209
CIF file Formula: - C24 H19 N8 -
Comments: 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 126 (2004) 291-294
Space group: P -1
Cell volume: 1047.51
Cell parameters: 7.8153; 10.186; 14.02; 89; 84.021; 70.743;  

COD ID: 4060210
CIF file Formula: - C24 H19 N8 -
Comments: 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 126 (2004) 291-294
Space group: P -1
Cell volume: 1075.8
Cell parameters: 7.851; 10.454; 14.074; 88; 83.455; 69.668;  

COD ID: 4060211
CIF file Formula: - C28 H44 Cl2 P2 Zr -
Comments: 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 126 (2004) 42-43
Space group: P 1 21/c 1
Cell volume: 2986.2
Cell parameters: 9.1306; 13.241; 24.7714; 90; 94.356; 90;  

COD ID: 4060212
CIF file Formula: - C60.5 H56 Si Zr -
Comments: 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 126 (2004) 42-43
Space group: P -1
Cell volume: 2321.16
Cell parameters: 12.3585; 12.4741; 16.6548; 95.175; 95.375; 113.504;  

COD ID: 4060213
CIF file Formula: - C22 H30 Zr -
Comments: 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 126 (2004) 60-61
Space group: P 1 21/n 1
Cell volume: 1895.64
Cell parameters: 26.7687; 8.7564; 8.0887; 90; 91.063; 90;  

COD ID: 4060214
CIF file Formula: - C27 H33 P Zr2 -
Comments: 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 126 (2004) 60-61
Space group: P 1 21/c 1
Cell volume: 2758.28
Cell parameters: 10.5259; 33.0858; 8.2256; 90; 105.661; 90;  

COD ID: 4060215
CIF file Formula: - C3.33 H4.67 Mn O4.67 -
Comments: 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 126 (2004) 32-33
Space group: P 1 21/n 1
Cell volume: 1819
Cell parameters: 11.715; 10.248; 15.159; 90; 91.81; 90;  

COD ID: 4060216
CIF file Formula: - C2 H2 Mn O4 -
Comments: 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 126 (2004) 32-33
Space group: P 1 21/n 1
Cell volume: 1788.6
Cell parameters: 11.7203; 10.207; 14.9556; 90; 91.439; 90;  

COD ID: 4060217
CIF file Formula: - C2 H2 Mn O4 -
Comments: 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 126 (2004) 32-33
Space group: P n a 21
Cell volume: 1259.7
Cell parameters: 12.8962; 8.3888; 11.6442; 90; 90; 90;  

COD ID: 4062739
CIF file Formula: - C28 H30 F12 Fe4 O2 P2 -
Comments: 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 126 (2004) 4104-4105
Space group: P n m a
Cell volume: 3129
Cell parameters: 14.903; 10.168; 20.654; 89; 89; 90;  

COD ID: 4062742
CIF file Formula: - C56 H60 Fe8 O4 -
Comments: 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 126 (2004) 4104-4105
Space group: P 1 21/c 1
Cell volume: 4746
Cell parameters: 9.353; 15.634; 32.792; 90; 98.174; 90;  

COD ID: 4062792
CIF file Formula: - C38 H36 N P2 Rh -
Comments: 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 126(9) (2004) 2694-2695
Space group: P -1
Cell volume: 1593.3
Cell parameters: 11.128; 11.1646; 13.098; 84.261; 84.977; 80.62;  

COD ID: 4062793
CIF file Formula: - C61 H59 N2 O2 P2 Rh -
Comments: 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 126(9) (2004) 2694-2695
Space group: P 1 21/c 1
Cell volume: 5176.4
Cell parameters: 20.443; 13.454; 20.069; 90; 110.31; 90;  

COD ID: 4062795
CIF file Formula: - C48 H44 N O P2 Rh -
Comments: 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 126(9) (2004) 2694-2695
Space group: C 1 2/c 1
Cell volume: 8010
Cell parameters: 14.72; 29.946; 18.379; 90; 98.62; 90;  

COD ID: 4062964
CIF file Formula: - C20 H25 B F3 Mo N9 O4 S -
Comments: 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 126 (2004) 6806-6815
Space group: P 1 21/n 1
Cell volume: 5345.7
Cell parameters: 19.2002; 12.8053; 23.2887; 90; 110.996; 90;  

COD ID: 4100000
CIF file Formula: - C30 H36 N2 Ni O3 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/n 1
Cell volume: 5823
Cell parameters: 18.0757; 16.097; 20.6888; 90; 104.687; 90;  

COD ID: 4100001
CIF file Formula: - C14 H25 Cl N2 Ni -
Comments: Journal of the American Chemical Society (2005)
Space group: P n a 21
Cell volume: 1522.8
Cell parameters: 11.0032; 9.6385; 14.3586; 90; 90; 90;  

COD ID: 4100002
CIF file Formula: - C14 H25 Br N2 Ni -
Comments: Journal of the American Chemical Society (2005)
Space group: P n a 21
Cell volume: 1624.2
Cell parameters: 11.2997; 9.7379; 14.7603; 90; 90; 90;  

COD ID: 4100003
CIF file Formula: - C24 H24 N2 Ni O3 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1148.8
Cell parameters: 7.7145; 8.3682; 19.411; 78.551; 88.502; 69.455;  

COD ID: 4100004
CIF file Formula: - C24 H26 N2 Ni O3 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/n 1
Cell volume: 9342.8
Cell parameters: 18.275; 16.387; 31.1987; 90; 90.476; 90;  

COD ID: 4100005
CIF file Formula: - C30 H38 N2 Ni O3 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 2841.3
Cell parameters: 8.94; 20.5564; 16.0631; 90; 105.736; 90;  

COD ID: 4100006
CIF file Formula: - C86 H86 Fe2 N8 O10 P2 -
Comments: Journal of the American Chemical Society (2005)
Space group: C 1 2/c 1
Cell volume: 7779
Cell parameters: 13.649; 25.077; 22.742; 90; 91.952; 90;  

COD ID: 4100007
CIF file Formula: - C97 H98 F3 Fe2 N8 O13.5 P2 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 4431.4
Cell parameters: 14.084; 15.38; 24.082; 97.723; 100.09; 117.146;  

COD ID: 4100008
CIF file Formula: - C22 H41 B2 O4 Rh -
Comments: 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)
Space group: P -1
Cell volume: 2488.8
Cell parameters: 7.3844; 15.64; 22.541; 105.37; 96.51; 91.82;  

COD ID: 4100009
CIF file Formula: - C28 H52 B3 O6 Rh -
Comments: 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)
Space group: P -1
Cell volume: 3268.1
Cell parameters: 13.798; 14.718; 17.139; 73.3; 89.38; 78.95;  

COD ID: 4100010
CIF file Formula: - C39.5 H55 B O2 P Rh -
Comments: 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)
Space group: P -1
Cell volume: 1883.6
Cell parameters: 10.43; 11.785; 17.455; 74.18; 87.53; 66.22;  

COD ID: 4100011
CIF file Formula: - C28 H54 B2 O4 P Rh -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 6399
Cell parameters: 18.496; 20.128; 19.179; 90; 116.33; 90;  

COD ID: 4100012
CIF file Formula: - C26 H42 Si2 -
Comments: 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)
Space group: P -1
Cell volume: 674.7
Cell parameters: 7.2615; 8.7028; 11.485; 104.878; 100.648; 98.4852;  

COD ID: 4100013
CIF file Formula: - C28 H42 Si2 -
Comments: 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)
Space group: C 1 2/c 1
Cell volume: 2764
Cell parameters: 21.699; 7.8425; 16.242; 90; 90.184; 90;  

COD ID: 4100014
CIF file Formula: - C30 H42 Si2 -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 1537.4
Cell parameters: 8.2757; 13.4444; 13.9444; 90; 97.7225; 90;  

COD ID: 4100015
CIF file Formula: - C34 H42 Si2 -
Comments: 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)
Space group: P -1
Cell volume: 1620.9
Cell parameters: 7.6441; 12.485; 18.3; 70.701; 82.758; 80.5;  

COD ID: 4100016
CIF file Formula: - C27 H24 N O2 P -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/n 1
Cell volume: 2123.5
Cell parameters: 9.7619; 10.3789; 21.056; 90; 95.506; 90;  

COD ID: 4100017
CIF file Formula: - C18 H24 O3 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1543.7
Cell parameters: 9.932; 18.201; 8.7778; 99.675; 90.281; 99.129;  

COD ID: 4100018
CIF file Formula: - C23 H31 N O3 -
Comments: Xia, Wujiong; Yang, Chao; Patrick, Brian O.; Scheffer, John R.; Scott, Carl Journal of the American Chemical Society (2005)
Space group: P 21 21 21
Cell volume: 2060.3
Cell parameters: 6.0537; 17.481; 19.469; 90; 90; 90;  

COD ID: 4100019
CIF file Formula: - C22 H17 Fe N3 O -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 1909.38
Cell parameters: 10.437; 18.322; 11.697; 90; 121.391; 90;  

COD ID: 4100020
CIF file Formula: - C30 H25 Cl4 Fe N3 O S -
Comments: 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)
Space group: P -1
Cell volume: 1536.82
Cell parameters: 10.003; 11.271; 14.935; 70.166; 89.948; 76.818;  

COD ID: 4100021
CIF file Formula: - C27.2 H16.39 Cl0.39 F3 Fe N3 O -
Comments: 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)
Space group: P -1
Cell volume: 2322.4
Cell parameters: 13.47; 14.161; 14.661; 73.342; 64.348; 68.832;  

COD ID: 4100022
CIF file Formula: - C34 H22 Cl2 F3 Fe N3 O S -
Comments: 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)
Space group: C 1 2/c 1
Cell volume: 6161.9
Cell parameters: 28.041; 15.294; 19.322; 90; 131.96; 90;  

COD ID: 4100023
CIF file Formula: - C23 H33 B2 Cl2 F3 N4 O3 S -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21 1
Cell volume: 1455.1
Cell parameters: 8.257; 8.37; 21.383; 90; 100.054; 90;  

COD ID: 4100024
CIF file Formula: - C40 H52 B2 N4 O5 W -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/n 1
Cell volume: 3987.3
Cell parameters: 12.506; 20.434; 16.308; 90; 106.907; 90;  

COD ID: 4100025
CIF file Formula: - C29 H46 B2 N4 -
Comments: Journal of the American Chemical Society (2005)
Space group: F d d 2
Cell volume: 5895.2
Cell parameters: 17.75; 41.914; 7.9239; 90; 90; 90;  

COD ID: 4100026
CIF file Formula: - C29 H47 N O4 -
Comments: 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)
Space group: C 1 2 1
Cell volume: 2816.4
Cell parameters: 15.856; 9.4706; 20.2922; 90; 112.441; 90;  

COD ID: 4100027
CIF file Formula: - C50 H78 Sm2 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 4674.8
Cell parameters: 11.3456; 21.6734; 19.3685; 90; 101.026; 90;  

COD ID: 4100028
CIF file Formula: - C35 H36 Co O2 P S Si -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/n 1
Cell volume: 3216.3
Cell parameters: 9.978; 17.896; 18.049; 90; 93.665; 90;  

COD ID: 4100029
CIF file Formula: - C24 H24 Co2 S2 -
Comments: Journal of the American Chemical Society (2005)
Space group: C 1 2 1
Cell volume: 1061.2
Cell parameters: 17.381; 5.8345; 11.3055; 90; 112.239; 90;  

COD ID: 4100030
CIF file Formula: - C35 H36 Co O P S Si -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1629.8
Cell parameters: 9.0966; 10.7124; 17.936; 74.952; 89.251; 75.278;  

COD ID: 4100031
CIF file Formula: - C66 H86 N6 O10 S2 -
Comments: Journal of the American Chemical Society (2005)
Space group: C 1 c 1
Cell volume: 6358.8
Cell parameters: 20.4171; 16.487; 18.8953; 90; 91.321; 90;  

COD ID: 4100032
CIF file Formula: - C32 H39 Cl2 N3 O4 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/n 1
Cell volume: 2986.35
Cell parameters: 9.537; 26.9572; 12.3589; 90; 109.968; 90;  

COD ID: 4100033
CIF file Formula: - C17 H10 Cl F4 N3 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/n 1
Cell volume: 1461.4
Cell parameters: 13.958; 7.5579; 15.236; 90; 114.6; 90;  

COD ID: 4100034
CIF file Formula: - C17 H10 Cl F4 N3 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 755.8
Cell parameters: 6.8075; 9.0631; 13.4888; 70.863; 78.833; 75.604;  

COD ID: 4100035
CIF file Formula: - C19 H13 F4 N -
Comments: Journal of the American Chemical Society (2005)
Space group: P n m a
Cell volume: 1458.7
Cell parameters: 7.5926; 12.408; 15.483; 90; 90; 90;  

COD ID: 4100036
CIF file Formula: - C18 H12 F4 N2 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1439.1
Cell parameters: 7.711; 11.939; 15.819; 91.697; 90.421; 98.628;  

COD ID: 4100037
CIF file Formula: - C17 H13 F3 O5 S -
Comments: 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 127(12) (2005) 4354-4371
Space group: P -1
Cell volume: 846.6
Cell parameters: 8.546; 9.43; 11.165; 73.016; 82.571; 81.014;  

COD ID: 4100038
CIF file Formula: - C20 H23 O6 P -
Comments: 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 127(12) (2005) 4354-4371
Space group: P 21 21 21
Cell volume: 1954.2
Cell parameters: 10.033; 11.953; 16.295; 90; 90; 90;  

COD ID: 4100039
CIF file Formula: - C15 H12 Br2 O -
Comments: 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 127(12) (2005) 4354-4371
Space group: P n m a
Cell volume: 1301.7
Cell parameters: 7.334; 19.543; 9.082; 90; 90; 90;  

COD ID: 4100040
CIF file Formula: - C29 H31 F6 K O8 -
Comments: 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 127(12) (2005) 4354-4371
Space group: P b c a
Cell volume: 6289.4
Cell parameters: 13.91; 19.228; 23.515; 90; 90; 90;  

COD ID: 4100041
CIF file Formula: - C24 H23 B N2 O2 -
Comments: 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 127(12) (2005) 4354-4371
Space group: P 1 21/n 1
Cell volume: 2004.1
Cell parameters: 16.378; 7.467; 16.966; 90; 105.007; 90;  

COD ID: 4100042
CIF file Formula: - C20 H25 B N2 -
Comments: 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 127(12) (2005) 4354-4371
Space group: P 1 21/n 1
Cell volume: 1759.04
Cell parameters: 10.726; 12.542; 13.08; 90; 91.437; 90;  

COD ID: 4100043
CIF file Formula: - C18 H19 B Cl2 N2 -
Comments: 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 127(12) (2005) 4354-4371
Space group: P 1 21/n 1
Cell volume: 1719
Cell parameters: 12.777; 12.551; 10.72; 90; 90.546; 90;  

COD ID: 4100044
CIF file Formula: - C22 H17 B O4 -
Comments: 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 127(12) (2005) 4354-4371
Space group: P 1 21/a 1
Cell volume: 1724.21
Cell parameters: 11.962; 7.228; 20.281; 90; 100.49; 90;  

COD ID: 4100045
CIF file Formula: - C23 H19 B O5 -
Comments: 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 127(12) (2005) 4354-4371
Space group: P c a 21
Cell volume: 1985.7
Cell parameters: 9.867; 14.292; 14.081; 90; 90; 90;  

COD ID: 4100046
CIF file Formula: - C22 H17 B O2 S2 -
Comments: 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 127(12) (2005) 4354-4371
Space group: P n m a
Cell volume: 1939.4
Cell parameters: 8.493; 14.313; 15.954; 90; 90; 90;  

COD ID: 4100047
CIF file Formula: - C18 H19 B O4 -
Comments: 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 127(12) (2005) 4354-4371
Space group: P 1 21/n 1
Cell volume: 5020.7
Cell parameters: 18.729; 13.177; 21.8; 90; 111.059; 90;  

COD ID: 4100048
CIF file Formula: - C16 H13 B F2 O2 -
Comments: 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 127(12) (2005) 4354-4371
Space group: P n a 21
Cell volume: 2704.4
Cell parameters: 12.187; 6.823; 32.524; 90; 90; 90;  

COD ID: 4100049
CIF file Formula: - C16 H13 B Cl2 O2 -
Comments: 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 127(12) (2005) 4354-4371
Space group: P m n 21
Cell volume: 714.55
Cell parameters: 6.95; 9.08; 11.323; 90; 90; 90;  

COD ID: 4100050
CIF file Formula: - C16 H14 O2 -
Comments: 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 127(12) (2005) 4354-4371
Space group: P 1 21/c 1
Cell volume: 1221.3
Cell parameters: 6.642; 12.169; 15.118; 90; 91.913; 90;  

COD ID: 4100051
CIF file Formula: - C14 H7 Br3 -
Comments: 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 127(12) (2005) 4354-4371
Space group: P 1 21/c 1
Cell volume: 1227.48
Cell parameters: 10.153; 7.248; 17.358; 90; 106.064; 90;  

COD ID: 4100052
CIF file Formula: - C17 H13 N O2 -
Comments: 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 127(12) (2005) 4354-4371
Space group: I 41/a :2
Cell volume: 5255.8
Cell parameters: 25.057; 25.057; 8.371; 90; 90; 90;  

COD ID: 4100053
CIF file Formula: - C19 H20 B2 F7 O4 -
Comments: 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 127(12) (2005) 4354-4371
Space group: P 1 21/c 1
Cell volume: 2064.2
Cell parameters: 10.981; 14.701; 13.43; 90; 107.81; 90;  

COD ID: 4100054
CIF file Formula: - C18 H42 Ni Si4 -
Comments: Journal of the American Chemical Society (2005)
Space group: C 1 2/c 1
Cell volume: 2617
Cell parameters: 16.537; 12.438; 12.723; 90; 90.155; 90;  

COD ID: 4100055
CIF file Formula: - C18 H42 Ni Si4 -
Comments: Journal of the American Chemical Society (2005)
Space group: C 1 2/c 1
Cell volume: 2554.1
Cell parameters: 10.969; 19.144; 12.491; 90; 103.151; 90;  

COD ID: 4100056
CIF file Formula: - C18 H42 Ni Si4 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 2631.3
Cell parameters: 12.364; 10.2697; 21.0044; 90; 99.389; 90;  

COD ID: 4100057
CIF file Formula: - C18 H42 Br2 Ni2 Si4 -
Comments: Journal of the American Chemical Society (2005)
Space group: C 1 2/c 1
Cell volume: 2976
Cell parameters: 14.819; 23.37; 11.251; 90; 130.197; 90;  

COD ID: 4100058
CIF file Formula: - C18 H42 I2 Ni2 Si4 -
Comments: Journal of the American Chemical Society (2005)
Space group: C 2 2 21
Cell volume: 6159
Cell parameters: 16.448; 19.038; 19.669; 90; 90; 90;  

COD ID: 4100059
CIF file Formula: - C24 H36 Cs Ni O9 S10 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1832.9
Cell parameters: 10.7634; 12.8715; 13.466; 84.967; 87.007; 80.751;  

COD ID: 4100060
CIF file Formula: - C24 H36 Cs Ni O9 S10 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1841
Cell parameters: 10.774; 12.901; 13.481; 84.828; 86.932; 80.859;  

COD ID: 4100061
CIF file Formula: - C24 H36 Cs Ni O9 S10 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1844.9
Cell parameters: 10.7902; 12.9099; 13.4876; 84.719; 86.876; 80.733;  

COD ID: 4100062
CIF file Formula: - C24 H36 Cs Ni O9 S10 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1850.9
Cell parameters: 10.8075; 12.9228; 13.4987; 84.676; 86.905; 80.678;  

COD ID: 4100063
CIF file Formula: - C24 H36 Cs N3 Ni O9 S10 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1854.5
Cell parameters: 10.81; 12.929; 13.526; 84.43; 86.974; 80.52;  

COD ID: 4100064
CIF file Formula: - C24 H36 Cs Ni O9 S10 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1862.6
Cell parameters: 10.821; 12.935; 13.566; 84.37; 87.094; 80.51;  

COD ID: 4100065
CIF file Formula: - C24 H36 Cs Ni O9 S10 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1856.5
Cell parameters: 10.804; 12.906; 13.573; 84.226; 87.3; 80.552;  

COD ID: 4100066
CIF file Formula: - C24 H36 Cs Ni O9 S10 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1867.2
Cell parameters: 10.798; 12.928; 13.642; 84.02; 87.631; 80.447;  

COD ID: 4100067
CIF file Formula: - C24 H36 Cs Ni O9 S10 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1881.8
Cell parameters: 10.802; 12.956; 13.709; 83.92; 87.898; 80.611;  

COD ID: 4100068
CIF file Formula: - C24 H36 Cs Ni O9 S10 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1886.3
Cell parameters: 10.774; 12.977; 13.751; 84.03; 88.06; 80.62;  

COD ID: 4100069
CIF file Formula: - C24 H36 Cs Ni O9 S10 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1907.3
Cell parameters: 10.782; 13.05; 13.818; 84.03; 87.93; 80.58;  

COD ID: 4100070
CIF file Formula: - C24 H36 Cs Ni O9 S10 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1908.4
Cell parameters: 10.787; 13.061; 13.808; 83.94; 88.09; 80.613;  

COD ID: 4100071
CIF file Formula: - C24 H40 Fe N2 S4 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/n 1
Cell volume: 1322.7
Cell parameters: 7.3798; 13.422; 13.582; 90; 100.51; 90;  

COD ID: 4100072
CIF file Formula: - C47 H58 As Co S4 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 4637.1
Cell parameters: 11.4045; 13.0763; 31.143; 90; 93.2; 90;  

COD ID: 4100073
CIF file Formula: - C35 H36 Co O P S Si -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/n 1
Cell volume: 3139.1
Cell parameters: 9.9942; 9.5495; 33.038; 90; 95.405; 90;  

COD ID: 4100074
CIF file Formula: - C1.65 H10 N0.82 O5.24 Se U0.59 -
Comments: Journal of the American Chemical Society (2005)
Space group: I 2 m m
Cell volume: 15251.5
Cell parameters: 10.8864; 29.532; 47.439; 90; 90; 90;  

COD ID: 4100075
CIF file Formula: - C12 H14 Br N O2 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21 1
Cell volume: 583.8
Cell parameters: 7.7697; 5.6329; 13.56; 90; 100.345; 90;  

COD ID: 4100076
CIF file Formula: - C61 H58 B Cr F24 N2 O Si -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 6405.4
Cell parameters: 13.628; 25.586; 18.371; 90; 90.579; 90;  

COD ID: 4100077
CIF file Formula: - C22 H8 Cr2 Fe N2 O10 -
Comments: Siemeling, Ulrich; Rother, Dag; Fink, Heinrich Journal of the American Chemical Society (2005)
Space group: P 1 21/n 1
Cell volume: 2337
Cell parameters: 6.6386; 18.4782; 19.224; 90; 97.679; 90;  

COD ID: 4100078
CIF file Formula: - C12 H8 Au2 Cl2 Fe N2 -
Comments: Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens Journal of the American Chemical Society (2005)
Space group: P 1 21/n 1
Cell volume: 1402.7
Cell parameters: 6.48; 9.274; 23.403; 90; 94.18; 90;  

COD ID: 4100079
CIF file Formula: - C4 H3 F N2 O2 -
Comments: Hulme, Ashley T.; Tocher, Derek A. Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 966.4
Cell parameters: 8.6329; 9.156; 12.5796; 99.119; 100.021; 90.017;  

COD ID: 4100080
CIF file Formula: - C4 H3 F N2 O2 -
Comments: Hulme, Ashley T.; Tocher, Derek A. Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 482.4
Cell parameters: 5.154; 15.001; 6.654; 90; 110.336; 90;  

COD ID: 4100081
CIF file Formula: - C4 H3 F N2 O2 -
Comments: Hulme, Ashley T.; Tocher, Derek A. Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 470.72
Cell parameters: 5.0433; 14.935; 6.6049; 90; 108.884; 90;  

COD ID: 4100082
CIF file Formula: - C32 H62 Li N2 O2 Pr S2 Si4 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 2211.4
Cell parameters: 8.693; 11.595; 22.719; 103.694; 95.94; 90.653;  

COD ID: 4100083
CIF file Formula: - C78 H118 Cl Li N4 Nd4 S8 Si8 -
Comments: Journal of the American Chemical Society (2005)
Space group: C 1 2/c 1
Cell volume: 10669.3
Cell parameters: 18.305; 24.227; 24.326; 90; 98.52; 90;  

COD ID: 4100084
CIF file Formula: - C52 H100 Cl5 Li N4 O S4 Si8 Sm4 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 4401.8
Cell parameters: 13.7062; 17.0964; 19.882; 75.817; 83.698; 77.496;  

COD ID: 4100085
CIF file Formula: - C48 H120 Cl4 Li2 N4 O6 Pr2 Si8 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1948.8
Cell parameters: 12.201; 13.088; 15.082; 101.45; 106.858; 114.631;  

COD ID: 4100086
CIF file Formula: - C40 H104 Cl4 Li2 N4 O4 Si8 Sm2 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/n 1
Cell volume: 3514.5
Cell parameters: 13.1658; 19.81; 13.5111; 90; 94.19; 90;  

COD ID: 4100087
CIF file Formula: - C64 H124 Cl Co N13 O31 P -
Comments: Journal of the American Chemical Society (2005)
Space group: P 21 21 21
Cell volume: 33057
Cell parameters: 29.486; 29.833; 37.579; 90; 90; 90;  

COD ID: 4100088
CIF file Formula: - C64 H127 Co N13 O32 P -
Comments: 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)
Space group: P 21 21 21
Cell volume: 8999
Cell parameters: 15.806; 22.471; 25.338; 90; 90; 90;  

COD ID: 4100089
CIF file Formula: - C9 H18 O6 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 1160.1
Cell parameters: 13.788; 10.664; 7.894; 90; 91.77; 90;  

COD ID: 4100090
CIF file Formula: - C25 H36 N14 O13 Pt S -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21 1
Cell volume: 3769
Cell parameters: 10.838; 31.965; 11.817; 90; 112.987; 90;  

COD ID: 4100091
CIF file Formula: - C25 H44 N14 O14 Pt S -
Comments: 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)
Space group: P -1
Cell volume: 1911.2
Cell parameters: 10.3067; 13.3068; 15.1285; 78.244; 82.033; 70.672;  

COD ID: 4100092
CIF file Formula: - C40 H52 N4 Ni -
Comments: 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 127(4) (2005) 1179-1192
Space group: P -1
Cell volume: 6677.7
Cell parameters: 16.812; 20.01; 21.378; 94.557; 97.004; 109.382;  

COD ID: 4100093
CIF file Formula: - C40 H52 N4 Ni -
Comments: 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 127(4) (2005) 1179-1192
Space group: P -1
Cell volume: 1678.3
Cell parameters: 8.4141; 13.293; 15.281; 82.965; 81.68; 88.189;  

COD ID: 4100094
CIF file Formula: - C14 H16 O3 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/n 1
Cell volume: 2177.8
Cell parameters: 14.931; 9.77; 14.931; 90; 90.94; 90;  

COD ID: 4100095
CIF file Formula: - C14 H16 O3 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 21 21 21
Cell volume: 1101.4
Cell parameters: 7.0339; 9.7592; 16.0454; 90; 90; 90;  

COD ID: 4100096
CIF file Formula: - C14 H16 O2 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 1086.6
Cell parameters: 8.1004; 10.1648; 13.3393; 90; 98.399; 90;  

COD ID: 4100097
CIF file Formula: - C14 H20 O3 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 1214.9
Cell parameters: 12.7483; 8.5538; 11.2196; 90; 96.766; 90;  

COD ID: 4100098
CIF file Formula: - C21 H22 N2 O9 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 2000.7
Cell parameters: 6.5607; 12.2817; 25.088; 88.583; 87.417; 82.263;  

COD ID: 4100099
CIF file Formula: - C15 H19 N O3 S -
Comments: Journal of the American Chemical Society (2005)
Space group: P 21 21 21
Cell volume: 1572
Cell parameters: 8.3728; 10.2615; 18.297; 90; 90; 90;  

COD ID: 4100100
CIF file Formula: - C17 H21 N O3 -
Comments: Journal of the American Chemical Society (2005)
Space group: C 1 c 1
Cell volume: 1618.5
Cell parameters: 14.856; 9.209; 12.593; 90; 110.039; 90;  

COD ID: 4100101
CIF file Formula: - C15 H26 Cl N O -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21 1
Cell volume: 819.5
Cell parameters: 7.8777; 7.7795; 13.672; 90; 102.036; 90;  

COD ID: 4100102
CIF file Formula: - C58 H70 Cl8 Fe2 P2 Pd2 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21 1
Cell volume: 2926.7
Cell parameters: 13.5209; 15.1921; 15.0232; 90; 108.483; 90;  

COD ID: 4100103
CIF file Formula: - C184 H150 Cl10 N44 O46 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 18065.4
Cell parameters: 27.8066; 14.6508; 44.3633; 90; 91.67; 90;  

COD ID: 4100104
CIF file Formula: - C17 H19 S -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 1344.8
Cell parameters: 31.075; 7.395; 5.866; 90; 93.97; 90;  

COD ID: 4100105
CIF file Formula: - C22 H14 S2 -
Comments: Journal of the American Chemical Society (2005)
Space group: P c c n
Cell volume: 1566.7
Cell parameters: 34.243; 7.5118; 6.0908; 90; 90; 90;  

COD ID: 4100106
CIF file Formula: - C17 H17 Cl N2 O2 -
Comments: Hideko Koshima Journal of the American Chemical Society (2005)
Space group: P 21 21 21
Cell volume: 1585.2
Cell parameters: 15.141; 16.7; 6.269; 90; 90; 90;  

COD ID: 4100107
CIF file Formula: - C70 H90 N4 -
Comments: Jeremiah A Marsden; MIke M. Haley; Fusen Han Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 1494.92
Cell parameters: 11.2352; 11.5362; 13.4393; 65.127; 71.281; 79.797;  

COD ID: 4100108
CIF file Formula: - C54 H54 N4 O4 -
Comments: Jeremiah A Marsden; MIke M. Haley; Fusen Han Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 2334.1
Cell parameters: 13.001; 13.594; 14.847; 112.913; 90.637; 103.57;  

COD ID: 4100109
CIF file Formula: - C33 H36 N3 Rh -
Comments: Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J. Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 2789.9
Cell parameters: 11.4645; 17.7575; 13.7191; 90; 92.69; 90;  

COD ID: 4100110
CIF file Formula: - C68 H75 Ag2 B2 F8 N7 Rh2 -
Comments: Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J. Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 3209.8
Cell parameters: 13.552; 16.2471; 16.6517; 77.66; 68.107; 71.664;  

COD ID: 4100111
CIF file Formula: - C38 H39 Ag3 F9 N4 O9 Rh S3 -
Comments: Custer, Paul D.; Garrison, Jered C.; Tessier, Claire A.; Youngs, Wiley J. Journal of the American Chemical Society (2005)
Space group: P 1 21/c 1
Cell volume: 4699.9
Cell parameters: 21.9776; 10.6829; 21.8444; 90; 113.597; 90;  

COD ID: 4100112
CIF file Formula: - C22 H35 N O3 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 21 21 21
Cell volume: 2295.8
Cell parameters: 6.6718; 12.839; 26.802; 90; 90; 90;  

COD ID: 4100113
CIF file Formula: - C80 H104 F6 N10 O15 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 21 21 21
Cell volume: 8943.3
Cell parameters: 9.639; 23.908; 38.807; 90; 90; 90;  

COD ID: 4100114
CIF file Formula: - C24 H22 As F6 N2 O2 S12 -
Comments: Journal of the American Chemical Society (2005)
Space group: P -1
Cell volume: 856.03
Cell parameters: 6.4102; 7.5058; 17.987; 83.523; 86.529; 85.458;  

COD ID: 4100115
CIF file Formula: - C24 H22 As F6 N2 O2 S12 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1
Cell volume: 850.6
Cell parameters: 6.3918; 7.502; 17.941; 83.197; 86.638; 85.548;  

COD ID: 4100116
CIF file Formula: - C24 H22 As F6 N2 O2 S12 -
Comments: Journal of the American Chemical Society (2005)
Space group: P 1
Cell volume: 849.41
Cell parameters: 6.3962; 7.4884; 17.94; 83.13; 86.579; 85.52;  


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