Search results

Result: there are 35742 entries in the selection

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format

We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.

Searching journal of publication like 'J. Am. Chem. Soc.'

First | Previous 500 | of 72 | Next 500 | Last | Display 5 20 50 100 200 300 500 1000 entries per page

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