Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000436 | CIF | La0.597 Li0.21 O3 Ti | P 4/m m m | 3.8714; 3.8714; 7.7789 90; 90; 90 | 116.6 | Fourquet, J L; Duroy, H; Crosnier-Lopez, M P Structural and microstructural studies of the series La2/3-x Li3x ( )1/3-2x Ti O3 Journal of Solid State Chemistry, 1996, 127, 283-294 |
| 1000437 | CIF | La0.557 Li0.33 O3 Ti | P 4/m m m | 3.8741; 3.8741; 7.7459 90; 90; 90 | 116.3 | Fourquet, J L; Duroy, H; Crosnier-Lopez, M P Structural and microstructural studies of the series La2/3-x Li3x ( )1/3-2x Ti O3 Journal of Solid State Chemistry, 1996, 127, 283-294 |
| 1000438 | CIF | La0.587 Li0.24 O3 Ti | P 4/m m m | 3.87; 3.87; 7.78 90; 90; 90 | 116.5 | Fourquet, J L; Duroy, H; Crosnier-Lopez, M P Structural and microstructural studies of the series La2/3-x Li3x ( )1/3-2x Ti O3 Journal of Solid State Chemistry, 1996, 127, 283-294 |
| 1001733 | CIF | K6.595 Mo2.34 O31 P4 W3.66 | R -3 :H | 17.545; 17.545; 15.714 90; 90; 120 | 4189.1 | Leclaire, A; Borel, M M; Chardon, J; Raveau, B A molybdenotungsten monophosphate with an opened structure K6.6 Mo2.36 W3.64 O15 (P O4)4 Journal of Solid State Chemistry, 1996, 127, 1-8 |
| 1001734 | CIF | Mn Nd0.7 O3 Sr0.3 | P n m a | 5.4599; 7.711; 5.466 90; 90; 90 | 230.1 | Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering Journal of Solid State Chemistry, 1996, 127, 131-135 |
| 1001735 | CIF | Ca0.22 Mn Nd0.7 O3 Sr0.08 | P n m a | 5.4708; 7.6708; 5.4254 90; 90; 90 | 227.7 | Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering Journal of Solid State Chemistry, 1996, 127, 131-135 |
| 1001736 | CIF | Ca0.3 Mn Nd0.7 O3 | P n m a | 5.482; 7.6475; 5.4096 90; 90; 90 | 226.8 | Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering Journal of Solid State Chemistry, 1996, 127, 131-135 |
| 1001737 | CIF | Mn Nd0.7 O3 Sr0.3 | P n m a | 5.4494; 7.6964; 5.4547 90; 90; 90 | 228.8 | Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering Journal of Solid State Chemistry, 1996, 127, 131-135 |
| 1001738 | CIF | Ca0.22 Mn Nd0.7 O3 Sr0.08 | P n m a | 5.4734; 7.6583; 5.4139 90; 90; 90 | 226.9 | Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering Journal of Solid State Chemistry, 1996, 127, 131-135 |
| 1001739 | CIF | Ca0.3 Mn Nd0.7 O3 | P 1 21/m 1 | 5.4881; 7.6337; 5.3968 90; 90.2; 90 | 226.1 | Millange, F; Caignaert, V; Mather, G; Suard, E; Raveau, B Low temperature orthorhombic to monoclinic transition due to size effect in Nd0.7 Ca0.3-x Srx Mn O3 : evidence for a new type of charge ordering Journal of Solid State Chemistry, 1996, 127, 131-135 |
| 1001747 | CIF | Ca3.8 Cl3.84 Cu3 Gd2.2 O8.16 | I 4/m m m | 3.8865; 3.8865; 41.827 90; 90; 90 | 631.8 | Pelloquin, D; Sundaresan, A; Hervieu, M; Michel, C; Raveau, B New copper oxychlorides Ca4 Ln2 Cu3 O8 Cl4, first members of the intergrowth series (Ca2 Cu O2 Cl2)m (Ln2 Ca2 Cu2 O6 Cl2)n (Ln = Gd,Sm) Journal of Solid State Chemistry, 1996, 127, 315-324 |
| 1001748 | CIF | O9 P2 Sr V2 | P n m a | 14.22; 6.5138; 7.5166 90; 90; 90 | 696.2 | Boudin, S; Grandin, A; Labbe, Ph; Provost, J; Raveau, B The V(III) monophosphate series A V2 O (P O4)2 with A = Cd, Ca, Sr: structure and magnetism Journal of Solid State Chemistry, 1996, 127, 325-330 |
| 1001749 | CIF | Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y | C m m m | 5.386; 5.4195; 15.72 90; 90; 90 | 458.9 | Seshadri, R; Maignan, A; Hervieu, M; Martin, C; Raveau, B; Rao, C N R Substitution of chromium for univalent copper in superconducting Pb2 Sr2 (Ca, Y) Cu3 O8+d Journal of Solid State Chemistry, 1996, 127, 64-71 |
| 1005029 | CIF | Ba Co S2 | P 4/n m m :2 | 4.568; 4.568; 8.942 90; 90; 90 | 186.6 | Gelabert, M C; Brese, N E; DiSalvo, F J; Jobic, S; Deniard, P; Brec, R Polymorphism and superstructure in Ba Co S2-d Journal of Solid State Chemistry, 1996, 127, 211-221 |
| 1005030 | CIF | Ba Co S1.84 | C m m a | 6.439; 6.4909; 8.9379 90; 90; 90 | 373.6 | Gelabert, M C; Brese, N E; DiSalvo, F J; Jobic, S; Deniard, P; Brec, R Polymorphism and superstructure in Ba Co S2-d Journal of Solid State Chemistry, 1996, 127, 211-221 |
| 1008574 | CIF | F4 H2 Mn O Tl | C 1 2/c 1 | 13.784; 6.631; 10.537 90; 103.66; 90 | 935.9 | Nunez, P; Tressaud, A; Hahn, F; Massa, W; Babel, D; Boireau, A; Soubeyroux, J L A new 1D-antiferromagnet: crystal and magnetic structures of TlMnF~4~.H~2~O Physica Status Solidi, Sectio A: Applied Research, 1991, 127, 505-517 |
| 1008575 | CIF | F4 H2 Mn O Tl | C 1 2/c 1 | 13.6775; 6.5865; 10.389 90; 103.176; 90 | 911.3 | Nunez, P; Tressaud, A; Hahn, F; Massa, W; Babel, D; Boireau, A; Soubeyroux, J L A new 1D-antiferromagnet: crystal and magnetic structures of TlMnF~4~.H~2~O Physica Status Solidi, Sectio A: Applied Research, 1991, 127, 505-517 |
| 1008576 | CIF | F4 H2 Mn O Rb | C 1 2/c 1 | 13.838; 6.429; 10.486 90; 103.97; 90 | 905.3 | Nunez, P; Tressaud, A; Hahn, F; Massa, W; Babel, D; Boireau, A; Soubeyroux, J L A new 1D-antiferromagnet: crystal and magnetic structures of TlMnF~4~.H~2~O Physica Status Solidi, Sectio A: Applied Research, 1991, 127, 505-517 |
| 1008972 | CIF | C5 H9 Ce2 O15.5 | P -1 | 6.329; 8.743; 13.004 105.59; 90.47; 105.13 | 666.7 | Romero, S; Mosset, A; Trombe, J C Two new families of lanthanide mixed-ligand complexes, oxalate- carbonate and oxalate-formate: synthesis and and structure of (Ce (H2 O))2 (C2 O4)2 (C O3) * 2.5 H2 O Journal of Solid State Chemistry, 1996, 127, 256-266 |
| 1008973 | CIF | C3 H Ce O6 | P n m a | 7.322; 10.825; 6.738 90; 90; 90 | 534.1 | Romero, S; Mosset, A; Trombe, J C Two new families of lanthanide mixed-ligand complexes, oxalate- carbonate and oxalate-formate: synthesis and and structure of (Ce (H2 O))2 (C2 O4)2 (C O3) * 2.5 H2 O Journal of Solid State Chemistry, 1996, 127, 256-266 |
| 1010274 | CIF | F H4 N | P 63 m c | 4.39; 4.39; 7.02 90; 90; 120 | 117.2 | Zachariasen, W H Die Kristallstruktur des Ammoniumfluorids. Zeitschrift fuer Physikalische Chemie (Leipzig), 1927, 127, 218-224 |
| 1010413 | CIF | Cr O3 | C c m m | 8.5; 4.73; 5.72 90; 90; 90 | 230 | Wooster, W A; Wooster, N Crystal Structure of Chromium Trioxide Nature (London), 1931, 127, 782-782 |
| 1010880 | CIF | Ca Se | F m -3 m | 5.912; 5.912; 5.912 90; 90; 90 | 206.6 | Oftedal, I Die Gitterkonstanten von Ca O, Ca S, Ca Se, Ca Te. Zeitschrift fuer Physikalische Chemie (Leipzig), 1927, 127, 154-158 |
| 1010881 | CIF | Ca Te | F m -3 m | 6.345; 6.345; 6.345 90; 90; 90 | 255.4 | Oftedal, I Die Gitterkonstanten von Ca O, Ca S, Ca Se, Ca Te. Zeitschrift fuer Physikalische Chemie (Leipzig), 1927, 127, 154-158 |
| 1010882 | CIF | Sb Tl | P m -3 m | 3.86; 3.86; 3.86 90; 90; 90 | 57.5 | Barth, T Ueber das System Thallium-Antimon Zeitschrift fuer Physikalische Chemie (Leipzig), 1927, 127, 113-120 |
| 1011116 | CIF | Mg O | F m -3 m | 4.216; 4.216; 4.216 90; 90; 90 | 74.9 | Broch, E. Crystal Structure Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main), 1927, 127, 446-454 |
| 1100375 | CIF | C26 H52 Li2 N6 O4 | P 1 21/c 1 | 9.058; 22.57; 8.392 90; 101.22; 90 | 1682.86 | Boche, Gernot; Langlotz, Ira; Marsch, Michael; Harms, Klaus X-Ray Crystal Structures of the Enolate oftert-Butyl α-Cyanoacetate with Li^+^ or Protonated 1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU-H^+^) as Gegenion. N‒H Hydrogen Bridge from DBU-H^+^ to the Enolate Oxygen Atom Chemische Berichte, 1994, 127, 2059-2064 |
| 1100376 | CIF | C16 H27 N3 O2 | P 1 21/n 1 | 11.687; 12.462; 12.853 90; 116.23; 90 | 1679.19 | Boche, Gernot; Langlotz, Ira; Marsch, Michael; Harms, Klaus X-Ray Crystal Structures of the Enolate oftert-Butyl α-Cyanoacetate with Li^+^ or Protonated 1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU-H^+^) as Gegenion. N‒H Hydrogen Bridge from DBU-H^+^ to the Enolate Oxygen Atom Chemische Berichte, 1994, 127, 2059-2064 |
| 1100395 | CIF | C68 H160 Li8 N18 O7 Si10 | C 1 2/m 1 | 23.356; 16.078; 15.402 90; 101.92; 90 | 5659.01 | Boche, Gernot; Harms, Klaus; Marsch, Michael; Schubert, Frank {6 Lithio(trimethylsilyl)diazomethane · 2 Lithio[4,5-bis(trimethylsilyl)triazene] · 7 Diethyl Ether}: The First X-Ray Structure Analysis of a Lithiated Diazoalkane Chemische Berichte, 1994, 127, 2193-2195 |
| 1509642 | CIF | Ag2 Al Sc | F m -3 m | 6.564; 6.564; 6.564 90; 90; 90 | 282.817 | Dwight, A.E.; Kimball, C.W. Sc T2 X and Ln T2 X compounds with the Mn Cu2 Al - type structure Journal of the Less-Common Metals, 1987, 127, 179-182 |
| 1509650 | CIF | Ag2 In Sc | F m -3 m | 6.72; 6.72; 6.72 90; 90; 90 | 303.464 | Kimball, C.W.; Dwight, A.E. Sc2 T X and Ln T2 X compounds with the Mn Cu2 Al-type structure Journal of the Less-Common Metals, 1987, 127, 179-182 |
| 1509783 | CIF | Ag2 As3 K5 Se9 | P n m a | 12.599; 12.607; 14.067 90; 90; 90 | 2234.34 | Chou Junhong; Kanatzidis, M.G. Isolation of beta-Ag3 As Se3, (Me3 N H) (Ag3 As2 Se5), K5 Ag2 As3 Se9, and K Ag3 As2 S5 : novel solid state silver thio- and selenoarsenates from solvento-thermal synthesis Journal of Solid State Chemistry, 1996, 127, 186-201 |
| 1509845 | CIF | Ag3 As Se3 | P n m a | 8.111; 11.344; 20.728 90; 90; 90 | 1907.21 | Chou Junhong; Kanatzidis, M.G. Isolation of beta-Ag3 As Se3, (Me3 N H) (Ag3 As2 Se5), K5 Ag2 As3 Se9, and K Ag3 As2 S5 : novel solid state silver thio- and selenoarsenates from solvento-thermal synthesis Journal of Solid State Chemistry, 1996, 127, 186-201 |
| 1509856 | CIF | Ag3 As2 K S5 | P n m a | 19.21; 16.867; 6.3491 90; 90; 90 | 2057.2 | Kanatzidis, M.G.; Chou Junhong Isolation of beta-Ag3 As Se3, (Me3 N H) (Ag3 As2 Se5), K5 Ag2 As3 Se9, and K Ag3 As2 S5 : novel solid state silver thio- and selenoarsenates from solvento-thermal synthesis Journal of Solid State Chemistry, 1996, 127, 186-201 |
| 1510427 | CIF | Au2 In Sc | F m -3 m | 6.692; 6.692; 6.692 90; 90; 90 | 299.687 | Dwight, A.E.; Kimball, C.W. Sc T2 X and Ln T2 X compounds with the Mn Cu2 Al-type structure Journal of the Less-Common Metals, 1987, 127, 179-182 |
| 1511015 | CIF | B0.024 O2 Ti | P 42/m n m | 4.6092; 4.6092; 2.9673 90; 90; 90 | 63.039 | Li, C.; Bursill, L.A.; Grey, I.E.; MacRae, C.M. Boron incorporation into rutile. Phase equilibria and structure considerations Journal of Solid State Chemistry, 1996, 127, 240-247 |
| 1511208 | CIF | B La Pt2 | P 62 2 2 | 5.5222; 5.5222; 7.8978 90; 90; 120 | 208.574 | Sologub, O.L.; Hiebl, K.; Salamakha, P.S. Crystal structure and physical properties of new ternary R Pt2 B compounds, R = La, Pr, Nd Solid State Communications, 2003, 127, 379-383 |
| 1511261 | CIF | B Nd Pt2 | P 62 2 2 | 5.4242; 5.4242; 7.8799 90; 90; 120 | 200.781 | Sologub, O.L.; Salamakha, P.S.; Hiebl, K. Crystal structure and physical properties of new ternary R Pt2 B compounds, R = La, Pr, Nd Solid State Communications, 2003, 127, 379-383 |
| 1522897 | CIF | Gd2 Zn17 | R -3 m :H | 8.9963; 8.9963; 13.1691 90; 90; 120 | 923.027 | Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals, 1987, 127, 189-197 |
| 1522898 | CIF | Yb2 Zn17 | R -3 m :H | 9.0336; 9.0336; 13.2135 90; 90; 120 | 933.835 | Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals, 1987, 127, 189-197 |
| 1522899 | CIF | Y2 Zn17 | R -3 m :H | 8.9719; 8.9719; 13.1414 90; 90; 120 | 916.096 | Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals, 1987, 127, 189-197 |
| 1522900 | CIF | La2 Zn17 | R -3 m :H | 9.1315; 9.1315; 13.334 90; 90; 120 | 962.887 | Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals, 1987, 127, 189-197 |
| 1522901 | CIF | Pr2 Zn17 | R -3 m :H | 9.0711; 9.0711; 13.2592 90; 90; 120 | 944.861 | Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals, 1987, 127, 189-197 |
| 1522902 | CIF | Nd2 Zn17 | R -3 m :H | 9.0497; 9.0497; 13.2334 90; 90; 120 | 938.578 | Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals, 1987, 127, 189-197 |
| 1522903 | CIF | Sm2 Zn17 | R -3 m :H | 9.0189; 9.0189; 13.1947 90; 90; 120 | 929.474 | Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals, 1987, 127, 189-197 |
| 1522904 | CIF | Tb2 Zn17 | R -3 m :H | 8.9787; 8.9787; 13.1482 90; 90; 120 | 917.96 | Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals, 1987, 127, 189-197 |
| 1522905 | CIF | Ho2 Zn17 | R -3 m :H | 8.9566; 8.9566; 13.1261 90; 90; 120 | 911.912 | Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals, 1987, 127, 189-197 |
| 1522906 | CIF | Tm2 Zn17 | R -3 m :H | 8.9374; 8.9374; 13.1089 90; 90; 120 | 906.816 | Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals, 1987, 127, 189-197 |
| 1522907 | CIF | Lu2 Zn17 | R -3 m :H | 8.9223; 8.9223; 13.1016 90; 90; 120 | 903.251 | Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals, 1987, 127, 189-197 |
| 1523488 | CIF | Pd2 Sn Tb | F m -3 m | 6.736; 6.736; 6.736 90; 90; 90 | 305.637 | Dwight, A.E.; Kimball, C.W. Sc T2 X and Ln T2 X compounds with thw Mn Cu2 Al-type structure Journal of the Less-Common Metals, 1987, 127, 179-182 |
| 1523489 | CIF | Pt2 Sc Sn | F m -3 m | 6.514; 6.514; 6.514 90; 90; 90 | 276.403 | Dwight, A.E.; Kimball, C.W. Sc T2 X and Ln T2 X compounds with the Mn Cu2 Al-type structure Journal of the Less-Common Metals, 1987, 127, 179-182 |
| 1523490 | CIF | Ga Ni2 Sc | F m -3 m | 6.025; 6.025; 6.025 90; 90; 90 | 218.711 | Dwight, A.E.; Kimball, C.W. Sc T2 X and Ln T2 X compounds with the Mn Cu2 Al-type structure Journal of the Less-Common Metals, 1987, 127, 179-182 |
| 1523491 | CIF | Ga Pd2 Sc | F m -3 m | 6.346; 6.346; 6.346 90; 90; 90 | 255.564 | Dwight, A.E.; Kimball, C.W. Sc T2 X and Ln T2 X compounds with the Mn Cu2 Al-type structure Journal of the Less-Common Metals, 1987, 127, 179-182 |
| 1523492 | CIF | Gd In Pd2 | F m -3 m | 6.756; 6.756; 6.756 90; 90; 90 | 308.368 | Dwight, A.E.; Kimball, C.W. Sc T2 X and Ln T2 X compounds with the Mn Cu2 Al-type structure Journal of the Less-Common Metals, 1987, 127, 179-182 |
| 1524283 | CIF | Cu2 Gd In | F m -3 m | 6.643; 6.643; 6.643 90; 90; 90 | 293.152 | Dwight, A.E.; Kimball, C.W. Sc T2 X and Ln T2 X compounds with the Mn Cu2 Al-type structure Journal of the Less-Common Metals, 1987, 127, 179-182 |
| 1524284 | CIF | Cu2 Ho In | F m -3 m | 6.576; 6.576; 6.576 90; 90; 90 | 284.371 | Dwight, A.W.; Kimball, C.W. Sc T2 X and Ln T2 X compounds with the Mn Cu2 Al-type structure Journal of the Less-Common Metals, 1987, 127, 179-182 |
| 1524285 | CIF | Dy In Pd2 | F m -3 m | 6.72; 6.72; 6.72 90; 90; 90 | 303.464 | Dwight, A.E.; Kimball, C.W. Sc T2 X and Ln T2 X compounds with the Mn Cu2 Al-type structure Journal of the Less-Common Metals, 1987, 127, 179-182 |
| 1524286 | CIF | Er In Pd2 | F m -3 m | 6.68; 6.68; 6.68 90; 90; 90 | 298.078 | Dwight, A.E.; Kimball, C.W. Sc T2 X and Ln T2 X compounds with the Mn Cu2 Al-type structure Journal of the Less-Common Metals, 1987, 127, 179-182 |
| 1524756 | CIF | Ce3 Zn22 | I 41/a m d :1 | 8.94; 8.94; 21.33 90; 90; 90 | 1704.77 | Kripyakevich, P.I.; Kuz'ma, Yu.B.; Ugrin, N.S. Crystal structures of the compounds Ce3 Zn22, La3 Zn22, and Pr3 Zn22 Journal of the Less-Common Metals, 1987, 127, 189-197 |
| 1525287 | CIF | Er2 Zn17 | R -3 m :H | 8.9465; 8.9465; 13.1199 90; 90; 120 | 909.426 | Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare earth-zinc phases Journal of the Less-Common Metals, 1987, 127, 189-197 |
| 1525288 | CIF | Dy2 Zn17 | R -3 m :H | 8.9658; 8.9658; 13.1339 90; 90; 120 | 914.329 | Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals, 1987, 127, 189-197 |
| 1525289 | CIF | Ce2 Zn17 | R -3 m :H | 9.0907; 9.0907; 13.2847 90; 90; 120 | 950.773 | Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare earth-zinc phases Journal of the Less-Common Metals, 1987, 127, 189-197 |
| 1525925 | CIF | Na2 O7 P2 Pb | P -1 | 5.533; 6.942; 9.44 105.58; 97.03; 108.32 | 322.975 | Dridi, N.; Boukhari, A.; Reau, J.M.; Holt, E.M.; Arbib, E. Crystal structure and ionic conductivity of crystalline and glassy Na2 Pb P2 O7 Solid State Ionics, 2000, 127, 141-149 |
| 1526682 | CIF | Ba Ce O3 | P m c n | 8.76035; 6.2214; 6.20939 90; 90; 90 | 338.422 | Knight, K.S. Powder neutron diffraction studies of Ba Ce0.9 Y0.1 O2.95 and Ba Ce O3 at 4.2 K: a possible structural site for the proton Solid State Ionics, 2000, 127, 43-48 |
| 1526684 | CIF | Ba Ce0.9 H0.14 O2.95 Y0.1 | P m c n | 8.75847; 6.22666; 6.21109 90; 90; 90 | 338.728 | Knight, K.S. Powder neutron diffraction studies of Ba Ce0.9 Y0.1 O2.95 and Ba Ce O3 at 4.2 K: a possible structural site for the proton Solid State Ionics, 2000, 127, 43-48 |
| 1530721 | CIF | Cl6 O Yb4 | P 63 m c | 9.146; 9.146; 6.894 90; 90; 120 | 499.418 | Schleid, T.; Meyer, G. An oxychloride of divalent ytterbium: Yb4 O Cl6 Journal of the Less-Common Metals, 1987, 127, 161-166 |
| 1533503 | CIF | As La | P 4/m m m | 3.625; 3.625; 3.06 90; 90; 90 | 40.21 | Shirotani, I.; Yamanashi, K.; Hayashi, J.; Ishimatsu, N.; Shimomura, O.; Kikegawa, T. Pressure-induced phase transitions of lanthanide monoarsenides La As and Lu As with a (Na Cl)-type structure Solid State Communications, 2003, 127, 573-576 |
| 1535366 | CIF | B3 H6 N3 | P 43 21 2 | 5.4626; 5.4626; 16.3149 90; 90; 90 | 486.837 | Boese, R.; Maulitz, A.H.; Stellberg, P. Solid-state borazine: does it deserve to be entitled "inorganic benzene"? Chemische Berichte, 1994, 127, 1887-1889 |
| 1536823 | CIF | O13 P4 Rb2 Si | P -1 | 4.857; 7.717; 15.089 83.69; 83.8; 81.95 | 554.123 | Koenigstein, K.; Jansen, M. Ein einfacher Weg zu Silicium in oktaedrischer Sauerstoffkoordination Chemische Berichte, 1994, 127, 1213-1218 |
| 1536826 | CIF | Cs2 H2 O14 P4 Si | P -1 | 9.157; 9.219; 9.509 94.99; 111.41; 113.2 | 661.452 | Koenigstein, K.; Jansen, M. Ein einfacher Weg zu Silicium in oktaedrischer Sauerstoffkoordination Chemische Berichte, 1994, 127, 1213-1218 |
| 1536829 | CIF | Ba H2 O14 P4 Si | P -1 | 4.61; 6.595; 8.975 75.34; 85.62; 75.76 | 255.843 | Koenigstein, K.; Jansen, M. Ein einfacher Weg zu Silicium in oktaedrischer Sauerstoffkoordination Chemische Berichte, 1994, 127, 1213-1218 |
| 1544347 | CIF | O5 P2 | F d d 2 | 16.314; 8.115; 5.265 90; 90; 90 | 697 | Arbib, E.H.; Elouadi, B.; Chaminade, J.P.; Darriet, J. New refinement of the crystal structure of o-P2O5 Journal of Solid State Chemistry, 1996, 127, 350-353 |
| 1547278 | CIF | C7 H3 N2 O9 Sm | P 1 21/n 1 | 9.361; 8.3498; 16.7159 90; 106.31; 90 | 1253.98 | KRANTHI KUMAR GANGU; ANIMA S DADHICH; SARATCHANDRA BABU MUKKAMALA Hydrothermal synthesis, crystal structure and luminescence property of a three dimensional Sm(III) coordination polymer with 2,5-pyridinedicarboxylic acid Journal of Chemical Sciences, 2015, 127, 2225-2230 |
| 1550463 | CIF | Cu Mg O5 V | C m c m | 5.7716; 8.7145; 6.3052 90; 90; 90 | 317.13 | Gake, T.; Matsushita, S.; Arai, M.; Obata, K. Electronic structures and optical properties of CuMgVO4 and AgMgVO4: a first-principles study Journal of the Ceramic Society of Japan, 2019, 127, 50-55 |
| 1550464 | CIF | Ag Mg O5 V | P n m a | 9.5314; 6.7696; 5.3618 90; 90; 90 | 345.964 | Gake, T.; Matsushita, S.; Arai, M.; Obata, K. Electronic structures and optical properties of CuMgVO4 and AgMgVO4: a first-principles study Journal of the Ceramic Society of Japan, 2019, 127, 50-55 |
| 1550747 | CIF | Al4.78 Na0.78 O12 Ti2.22 | P b a m | 9.0676; 15.524; 2.917 90; 90; 90 | 410.61 | Fukuda, K.; Hasegawa, S.; Hasegawa, E.; Urushihara, D.; Asaka, T. Grain-oriented polycrystalline sodium titanoaluminate formed by reactive diffusion between solid Al2TiO5 and liquid [25mol% Na2O and 75mol% TiO2] Journal of the Ceramic Society of Japan, 2019, 127, 150-157 |
| 1550748 | CIF | F0.2326 K0.8464 La9.113 O25.7674 Si5.895 | P 63/m | 9.7078; 9.7078; 7.2393 90; 90; 120 | 590.839 | Fukuda, K.; Tsunoda, Y.; Urushihara, D.; Asaka, T.; Yoshida, H. Flux growth of doped lanthanum silicate oxyapatite crystals with hexagonal tabular morphology Journal of the Ceramic Society of Japan, 2019, 127, 143-149 |
| 1551021 | CIF | Nd3 O7 Ta | C 2 2 21 | 10.825; 7.6099; 7.6814 90; 90; 90 | 632.77 | Hinatsu, Y.; Doi, Y. Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure Journal of the Ceramic Society of Japan, 2019, 127, 273-278 |
| 1551022 | CIF | Nd3 O7 Ta | P n m a | 7.6508; 10.9308; 7.5403 90; 90; 90 | 630.59 | Hinatsu, Y.; Doi, Y. Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure Journal of the Ceramic Society of Japan, 2019, 127, 273-278 |
| 1551023 | CIF | Nd3 O7 Ta | P n m a | 7.661; 10.9041; 7.5009 90; 90; 90 | 626.6 | Hinatsu, Y.; Doi, Y. Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure Journal of the Ceramic Society of Japan, 2019, 127, 273-278 |
| 1551024 | CIF | Eu0.9 O7 Sm2.1 Ta | P n m a | 7.6425; 10.8825; 7.5571 90; 90; 90 | 628.52 | Hinatsu, Y.; Doi, Y. Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure Journal of the Ceramic Society of Japan, 2019, 127, 273-278 |
| 1552152 | CIF | La3 Li6.2 O12 Ta0.8 Zr1.2 | I a -3 d | 12.9071; 12.9071; 12.9071 90; 90; 90 | 2150.24 | Kataoka, K.; Akimoto, J. Lithium-ion conductivity and crystal structure of garnet-type solid electrolyte Li7-xLa3Zr2-xTaxO12 using single-crystal : structure with x = 0.8 Journal of the Ceramic Society of Japan, 2019, 127, 521-526 |
| 1552153 | CIF | La3 Li6.5 O12 Ta0.5 Zr1.5 | I a -3 d | 12.9216; 12.9216; 12.9216 90; 90; 90 | 2157.49 | Kataoka, K.; Akimoto, J. Lithium-ion conductivity and crystal structure of garnet-type solid electrolyte Li7-xLa3Zr2-xTaxO12 using single-crystal : structure with x = 0.5 Journal of the Ceramic Society of Japan, 2019, 127, 521-526 |
| 1552154 | CIF | La3 Li6.8 O12 Ta0.2 Zr1.8 | I a -3 d | 12.9448; 12.9448; 12.9448 90; 90; 90 | 2169.13 | Kataoka, K.; Akimoto, J. Lithium-ion conductivity and crystal structure of garnet-type solid electrolyte Li7-xLa3Zr2-xTaxO12 using single-crystal : structure with x = 0.2 Journal of the Ceramic Society of Japan, 2019, 127, 521-526 |
| 1552155 | CIF | La3 Li6.6 O12 Ta0.4 Zr1.6 | I a -3 d | 12.9375; 12.9375; 12.9375 90; 90; 90 | 2165.46 | Kataoka, K.; Akimoto, J. Lithium-ion conductivity and crystal structure of garnet-type solid electrolyte Li7-xLa3Zr2-xTaxO12 using single-crystal : structure with x = 0.4 Journal of the Ceramic Society of Japan, 2019, 127, 521-526 |
| 1552156 | CIF | La3 Li6.4 O12 Ta0.6 Zr1.4 | I a -3 d | 12.9101; 12.9101; 12.9101 90; 90; 90 | 2151.74 | Kataoka, K.; Akimoto, J. Lithium-ion conductivity and crystal structure of garnet-type solid electrolyte Li7-xLa3Zr2-xTaxO12 using single-crystal : structure with x = 0.6 Journal of the Ceramic Society of Japan, 2019, 127, 521-526 |
| 1552367 | CIF | Cu0.6 Ni0.4 O4 Pr2 | F m m m | 5.429; 5.42; 12.582 90; 90; 90 | 370.2 | Wang, C.; Soga, H.; Yugi, T.; Sakai, M.; Okiba, T.; Hashimoto, T. Variation in crystal structure of Ln2Ni1-xCuxO4+delta (Ln: La, Pr, Nd, Sm, Eu, and their solid solution) based on type of Ln: Relationship between crystal structure and tolerance factor Journal of the Ceramic Society of Japan, 2019, 127, 678-687 |
| 1552368 | CIF | Cu O4 Pr2 | I 4/m m m | 3.962; 3.962; 12.238 90; 90; 90 | 192.1 | Wang, C.; Soga, H.; Yugi, T.; Sakai, M.; Okiba, T.; Hashimoto, T. Variation in crystal structure of Ln2Ni1-xCuxO4+delta (Ln: La, Pr, Nd, Sm, Eu, and their solid solution) based on type of Ln: Relationship between crystal structure and tolerance factor Journal of the Ceramic Society of Japan, 2019, 127, 678-687 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 4100348 | CIF | C62 H64 Cl4 N4 | C 1 2/c 1 | 28.0983; 12.0933; 19.9538 90; 128.477; 90 | 5308 | Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins Journal of the American Chemical Society, 2005, 127, 14540-14541 |
| 4100349 | CIF | C64 H74 N4 O2 | P -1 | 13.1254; 13.804; 16.7037 103.853; 96.6651; 108.434 | 2726.5 | Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins Journal of the American Chemical Society, 2005, 127, 14540-14541 |
| 4100350 | CIF | C76 H94 N4 O | I 41/a :2 | 18.048; 18.048; 25.862 90; 90; 90 | 8424 | Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins Journal of the American Chemical Society, 2005, 127, 14540-14541 |
| 4100364 | CIF | C24 H48 N8 Na2 | P c c n | 11.074; 14.812; 18.825 90; 90; 90 | 3087.8 | Mikhail Y. Redko; James E. Jackson; Rui H. Huang; James L. Dye Design and Synthesis of a Thermally Stable Organic Electride Journal of the American Chemical Society, 2005, 127, 12416-12422 |
| 4100365 | CIF | C24 H48 N8 Na | P c c n | 10.703; 14.608; 18.606 90; 90; 90 | 2909.1 | Mikhail Y. Redko; James E. Jackson; Rui H. Huang; James L. Dye Design and Synthesis of a Thermally Stable Organic Electride Journal of the American Chemical Society, 2005, 127, 12416-12422 |
| 4100531 | CIF | C21 H33 Au3 F6 N3 P S | C m c 21 | 14.636; 25.02; 15.322 90; 90; 90 | 5611 | Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L. A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~) Journal of the American Chemical Society, 2005, 127, 10838-10839 |
| 4100532 | CIF | C24 H39 Au3 F6 N3 S Sb | C m c 21 | 15.1136; 26.613; 15.988 90; 90; 90 | 6430.7 | Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L. A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~) Journal of the American Chemical Society, 2005, 127, 10838-10839 |
| 4100533 | CIF | C24 H39 Au3 F6 N3 S Sb | P 1 21 1 | 14.9353; 15.7717; 26.457 90; 91.1412; 90 | 6231 | Gussenhoven, Emily M.; Fettinger, James C.; Pham, David M.; Malwitz, Mark A.; Balch, Alan L. A Reversible Polymorphic Phase Change Which Affects the Luminescence and Aurophilic Interactions in the Gold(I) Cluster Complex, [μ~3~-S(AuCNC~7~H~13~)~3~](SbF~6~) Journal of the American Chemical Society, 2005, 127, 10838-10839 |
| 4100545 | CIF | C44 H32 Cl2 Ni P2 | P 43 21 2 | 11.647; 11.647; 26.381 90; 90; 90 | 3578.5 | Evans, David A.; Thomson, Regan J. Ni(II) Tol-BINAP-Catalyzed Enantioselective Orthoester Alkylations of N-Acylthiazolidinethiones Journal of the American Chemical Society, 2005, 127, 10506-10507 |
| 4100568 | CIF | C14 H24 F2 Ir P | P n m a | 16.115; 11.761; 8.482 90; 90; 90 | 1607.6 | Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium Journal of the American Chemical Society, 2005, 127, 15020-15021 |
| 4100569 | CIF | C15 H24 F4 Ir P | P -1 | 12.6958; 17.033; 17.415 109.33; 100.572; 90.329 | 3484.2 | Russell P. Hughes; Roman B. Laritchev; Jian Yuan; James A. Golen; Adam N. Rucker; Arnold L. Rheingold A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of Iridium Journal of the American Chemical Society, 2005, 127, 15020-15021 |
| 4100642 | CIF | C36 H29 N3 O6 U | P n a m | 9.6034; 13.323; 23.3439 90; 90; 90 | 2986.76 | Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions Journal of the American Chemical Society, 2005, 127, 3831-3837 |
| 4100643 | CIF | C59 H52 Cl Cs N6 O12 U2 | C 1 2/c 1 | 32.4597; 15.9145; 26.1849 90; 120.983; 90 | 11596.6 | Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions Journal of the American Chemical Society, 2005, 127, 3831-3837 |
| 4100644 | CIF | C38 H32 Cs F N4 O6 U | P 1 21/n 1 | 16.3779; 13.9653; 16.6928 90; 107.568; 90 | 3639.9 | Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions Journal of the American Chemical Society, 2005, 127, 3831-3837 |
| 4100645 | CIF | C38 H32 Cl Cs N4 O6 U | P -1 | 12.0338; 12.362; 14.5835 108.135; 97.069; 108.179 | 1899.66 | Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions Journal of the American Chemical Society, 2005, 127, 3831-3837 |
| 4100646 | CIF | C70 H60 Cl K N4 O14 U2 | P -1 | 14.3905; 15.2086; 15.5041 93.2582; 107.142; 100.843 | 3161.7 | Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions Journal of the American Chemical Society, 2005, 127, 3831-3837 |
| 4100647 | CIF | C38 H32.5 Cl N4 O6.25 Rb U | P -1 | 11.8754; 12.2205; 14.6154 107.79; 96.735; 108.296 | 1863.44 | Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions Journal of the American Chemical Society, 2005, 127, 3831-3837 |
| 4100648 | CIF | C43 H37 Cl3 N4 O11 U2 | P -1 | 12.5316; 13.5637; 13.9037 99.611; 101.62; 91.385 | 2278.26 | Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions Journal of the American Chemical Society, 2005, 127, 3831-3837 |
| 4100649 | CIF | C22 H17 N3 O4 U | C c m 21 | 12.5727; 16.8834; 9.4789 90; 90; 90 | 2012.09 | Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions Journal of the American Chemical Society, 2005, 127, 3831-3837 |
| 4100664 | CIF | C158 H134 Cl6 N6 O18 | P -1 | 12.7464; 15.0932; 18.6957 95.3241; 95.2033; 108.001 | 3378.78 | Scherer, Lukas J.; Merz, Leo; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Hermann, B. A. Conformational Analysis of Self-Organized Monolayers with Scanning Tunneling Microscopy at Near-Atomic Resolution Journal of the American Chemical Society, 2005, 127, 4033-4041 |
| 4100884 | CIF | C71 H99.5 F9 N1.5 O20 Ru3 S3 | P 1 21/c 1 | 16.672; 31.875; 16.47 90; 105.04; 90 | 8453 | Fairchild, Robert M.; Holman, K. Travis Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior. Journal of the American Chemical Society, 2005, 127, 16364-16365 |
| 4100885 | CIF | C0.69 H0.38 F0.07 N0.03 O0.12 Ru0.02 S0.02 | P 1 21/c 1 | 16.672; 31.875; 16.47 90; 105.04; 90 | 8453 | Fairchild, Robert M.; Holman, K. Travis Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior. Journal of the American Chemical Society, 2005, 127, 16364-16365 |
| 4100886 | CIF | C142.67 H227 F36 N25.67 O63.33 Ru6 Sb6 | R -3 :H | 19.3059; 19.3059; 47.475 90; 90; 120 | 15324 | Fairchild, Robert M.; Holman, K. Travis Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior. Journal of the American Chemical Society, 2005, 127, 16364-16365 |
| 4100887 | CIF | C142.67 H227 F36 N25.67 O63.33 Ru6 Sb6 | R -3 :H | 19.3059; 19.3059; 47.475 90; 90; 120 | 15324 | Fairchild, Robert M.; Holman, K. Travis Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior. Journal of the American Chemical Society, 2005, 127, 16364-16365 |
| 4100888 | CIF | C22 H30 Cl F3 N2 O3 Ru S | P 1 21/n 1 | 16.2016; 8.6614; 17.9532 90; 98.067; 90 | 2494.4 | Arduengo, 3rd, Anthony J.; Tapu, Daniela; Marshall, William J. A bimetallic complex containing a cyclopentadienyl-annulated imidazol-2-ylidene. Journal of the American Chemical Society, 2005, 127, 16400-16401 |
| 4100889 | CIF | C58 H60 Cl F3 N2 O3 P2 Pd Ru S | P 1 21/n 1 | 23.064; 10.408; 24.166 90; 104.88; 90 | 5606.5 | Arduengo, 3rd, Anthony J.; Tapu, Daniela; Marshall, William J. A bimetallic complex containing a cyclopentadienyl-annulated imidazol-2-ylidene. Journal of the American Chemical Society, 2005, 127, 16400-16401 |
| 4100941 | CIF | C10 H10 Cu3 Mo2 N2 O10 | P -1 | 5.5199; 5.6912; 13.456 83.015; 85.442; 79.488 | 411.82 | Shores, M. P.; Bartlett, B. M.; Nocera, D. G. Spin-Frustrated Organic-Inorganic Hybrids of Lindgrenite Journal of the American Chemical Society, 2005, 127, 17986-17987 |
| 4100942 | CIF | C4 H12 Cu3 Mo2 N2 O10 | P -1 | 5.6757; 5.7121; 9.447 95.284; 91.557; 100.248 | 299.82 | Shores, M. P.; Bartlett, B. M.; Nocera, D. G. Spin-Frustrated Organic-Inorganic Hybrids of Lindgrenite Journal of the American Chemical Society, 2005, 127, 17986-17987 |
| 4100943 | CIF | C36 H56.4 Cl N24 O21.7 | P 1 21 1 | 12.434; 16.122; 12.667 90; 104.923; 90 | 2453.6 | Isaacs, Lyle; Park, Sang-Kyu; Liu, Simin; Ko, Young Ho; Selvapalam, Narayanan; Kim, Youngkook; Kim, Hyunuk; Zavalij, Peter Y.; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon The Inverted Cucurbit[n]uril Family Journal of the American Chemical Society, 2005, 127, 18000-18001 |
| 4100944 | CIF | C46 H78 N28 O29 | R -3 :H | 32.2; 32.2; 32.581 90; 90; 120 | 29255 | Isaacs, Lyle; Park, Sang-Kyu; Liu, Simin; Ko, Young Ho; Selvapalam, Narayanan; Kim, Youngkook; Kim, Hyunuk; Zavalij, Peter Y.; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon The Inverted Cucurbit[n]uril Family Journal of the American Chemical Society, 2005, 127, 18000-18001 |
| 4100971 | CIF | C9 H15 F3 N2 O3 S | P 1 21/n 1 | 10.222; 12.534; 22.541 90; 93.281; 90 | 2883.2 | Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A. In situ crystallization of low-melting ionic liquids. Journal of the American Chemical Society, 2005, 127, 16792-16793 |
| 4100972 | CIF | C8 H15 F6 N2 P | P -1 | 8.774; 8.944; 9.032 95.949; 114.93; 103.01 | 610.2 | Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A. In situ crystallization of low-melting ionic liquids. Journal of the American Chemical Society, 2005, 127, 16792-16793 |
| 4100973 | CIF | C11 H20 F6 N2 O4 S2 | P 21 21 21 | 8.3947; 13.0106; 16.582 90; 90; 90 | 1811.1 | Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A. In situ crystallization of low-melting ionic liquids. Journal of the American Chemical Society, 2005, 127, 16792-16793 |
| 4100974 | CIF | C6 H11 B F4 N2 | P 1 21/n 1 | 8.7618; 9.3961; 11.4246 90; 98.72; 90 | 929.68 | Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A. In situ crystallization of low-melting ionic liquids. Journal of the American Chemical Society, 2005, 127, 16792-16793 |
| 4100975 | CIF | C13 H18 F6 N2 O4 S2 | P -1 | 8.7916; 12.911; 18.341 71.969; 83.335; 88.815 | 1966 | Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A. In situ crystallization of low-melting ionic liquids. Journal of the American Chemical Society, 2005, 127, 16792-16793 |
| 4100976 | CIF | C94 H167.87 I4 N54 O54.94 | P n n m | 19.476; 20.192; 18.567 90; 90; 90 | 7302 | Liu, Simin; Zavalij, Peter Y.; Isaacs, Lyle Cucurbit[10]uril. Journal of the American Chemical Society, 2005, 127, 16798-16799 |
| 4111377 | CIF | C34 H58 Ce F | P 1 21/n 1 | 9.2297; 34.078; 10.9325 90; 109.864; 90 | 3234 | 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 |
| 4111378 | CIF | C26 H49 Sc Si3 | P -1 | 9.1426; 10.4602; 17.096 94.074; 105.507; 103.56 | 1515.83 | Aaron D. Sadow; T. Don Tilley Synthesis and Characterization of Scandium Silyl Complexes of the Type Cp*2ScSiHRR'. σ-Bond Metathesis Reactions and Catalytic Dehydrogenative Silation of Hydrocarbons Journal of the American Chemical Society, 2005, 127, 643-656 |
| 4111379 | CIF | C38 H37 Sc Si2 | P 1 21/n 1 | 9.9125; 20.937; 16.232 90; 95.289; 90 | 3354.4 | Aaron D. Sadow; T. Don Tilley Synthesis and Characterization of Scandium Silyl Complexes of the Type Cp*2ScSiHRR'. σ-Bond Metathesis Reactions and Catalytic Dehydrogenative Silation of Hydrocarbons Journal of the American Chemical Society, 2005, 127, 643-656 |
| 4111380 | CIF | C34 H52 O | P 1 21 1 | 16.2746; 9.462; 18.9247 90; 95.45; 90 | 2901 | David A. Powell; Toshihide Maki; Gregory C. Fu Stille Cross-Couplings of Unactivated Secondary Alkyl Halides Using Monoorganotin Reagents Journal of the American Chemical Society, 2005, 127, 510-511 |
| 4111381 | CIF | C24 H37 N3 P Si2 Ta | P -1 | 11.34; 11.984; 12.27 101.22; 111.66; 108.49 | 1375 | Michael P. Shaver; Michael D. Fryzuk Cleavage of Hydrazine and 1,1-Dimethylhydrazine by Dinuclear Tantalum Hydrides: Formation of Imides, Nitrides, and N,N-Dimethylamine Journal of the American Chemical Society, 2005, 127, 500-501 |
| 4111382 | CIF | C48 H62 N6 P2 Si4 Ta2 | P 1 21/n 1 | 11.6976; 19.494; 23.2595 90; 90.216; 90 | 5303.9 | Michael P. Shaver; Michael D. Fryzuk Cleavage of Hydrazine and 1,1-Dimethylhydrazine by Dinuclear Tantalum Hydrides: Formation of Imides, Nitrides, and N,N-Dimethylamine Journal of the American Chemical Society, 2005, 127, 500-501 |
| 4111383 | CIF | C54 H61 B N2 P2 Ru | P 1 21 1 | 14.75; 10.849; 16.712 90; 114.29; 90 | 2437.6 | Rongwei Guo; Robert H. Morris; Datong Song Enantioselective Tandem Michael Addition/H2-Hydrogenation Catalyzed by Ruthenium Hydride Borohydride Complexes Containing β-aminophosphine Ligands1 Journal of the American Chemical Society, 2005, 127, 516-517 |
| 4111384 | CIF | C57 H79 F12 N3 O11 P2 | P -1 | 9.9809; 14.584; 25.324 93.629; 93.227; 104.668 | 3548.9 | Feihe Huang; Devdatt S. Nagvekar; Carla Slebodnick; Harry W. Gibson A Supramolecular Triarm Star Polymer from a Homotritopic Tris(Crown Ether) Host and a Complementary Monotopic Paraquat-Terminated Polystyrene Guest by a Supramolecular Coupling Method Journal of the American Chemical Society, 2005, 127, 484-485 |
| 4111385 | CIF | C32 H20 O8 Re2 Sn2 | P -1 | 9.5962; 12.6495; 14.5038 104.342; 90.559; 105.38 | 1639.25 | Richard D. Adams; Burjor Captain; Mikael Johansson; Jack L. Smith New Rhenium-Tin Cluster Adds Palladium Phosphine Groups across Re-Sn Bonds Journal of the American Chemical Society, 2005, 127, 488-489 |
| 4111386 | CIF | C56 H74 O8 P2 Pd2 Re2 Sn2 | P -1 | 10.8119; 12.4429; 12.9946 80.117; 68.988; 71.927 | 1547.82 | Richard D. Adams; Burjor Captain; Mikael Johansson; Jack L. Smith New Rhenium-Tin Cluster Adds Palladium Phosphine Groups across Re-Sn Bonds Journal of the American Chemical Society, 2005, 127, 488-489 |
| 4111387 | CIF | C116.35 H112.7 B Cl0.7 Cu F4 N12 O2 | P 1 2/n 1 | 26.157; 15.602; 27.03 90; 115.301; 90 | 9973 | Shoko Kume; Masaki Murata; Tomoji Ozeki; Hiroshi Nishihara Reversible Photoelectronic Signal Conversion Based on Photoisomerization-Controlled Coordination Change of Azobenzene-bipyridine Ligands to Copper Journal of the American Chemical Society, 2005, 127, 490-491 |
| 4111388 | CIF | C84 H80 B Cl2 Cu F4 N4 | P 1 21/c 1 | 14.242; 19.819; 25.943 90; 93.533; 90 | 7309 | Shoko Kume; Masaki Murata; Tomoji Ozeki; Hiroshi Nishihara Reversible Photoelectronic Signal Conversion Based on Photoisomerization-Controlled Coordination Change of Azobenzene-bipyridine Ligands to Copper Journal of the American Chemical Society, 2005, 127, 490-491 |
| 4111389 | CIF | C17 H17 N O4 | P 1 21/c 1 | 7.9051; 10.8742; 17.6443 90; 98.954; 90 | 1498.25 | Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles Journal of the American Chemical Society, 2005, 127, 605-613 |
| 4111390 | CIF | C19 H19 N O4 S | P n a 21 | 10.6133; 11.0274; 29.423 90; 90; 90 | 3443.6 | Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles Journal of the American Chemical Society, 2005, 127, 605-613 |
| 4111391 | CIF | C13 H15 N O3 | P n a 21 | 8.0072; 21.705; 6.8803 90; 90; 90 | 1195.8 | Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles Journal of the American Chemical Society, 2005, 127, 605-613 |
| 4111392 | CIF | C15 H11 N O3 | P 1 21/n 1 | 9.9267; 6.2157; 19.2178 90; 94.75; 90 | 1181.69 | Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles Journal of the American Chemical Society, 2005, 127, 605-613 |
| 4111393 | CIF | C17 H18 N2 O2 | P -1 | 5.5895; 11.4355; 12.0083 72.662; 85.015; 83.838 | 727.23 | Yoshihiko Yamamoto; Keisuke Kinpara; Tomoaki Saigoku; Hideyuki Takagishi; Satoshi Okuda; Hisao Nishiyama; Kenji Itoh Cp*RuCl-Catalyzed [2 + 2 + 2] Cycloadditions of α,ω-Diynes with Electron-Deficient Carbon-Heteroatom Multiple Bonds Leading to Heterocycles Journal of the American Chemical Society, 2005, 127, 605-613 |
| 4111394 | CIF | C48 H26 N4 Zn | P n a 21 | 7.1219; 20.2661; 22.218 90; 90; 90 | 3206.8 | Mahendra Nath; Maren Pink; Jeffrey M. Zaleski Controlling Both Ground- and Excited-State Thermal Barriers to Bergman Cyclization with Alkyne Termini Substitution Journal of the American Chemical Society, 2005, 127, 478-479 |
| 4111395 | CIF | C60 H38 N4 | C 1 2/c 1 | 13.021; 18.238; 19.036 90; 104.93; 90 | 4368 | Mahendra Nath; Maren Pink; Jeffrey M. Zaleski Controlling Both Ground- and Excited-State Thermal Barriers to Bergman Cyclization with Alkyne Termini Substitution Journal of the American Chemical Society, 2005, 127, 478-479 |
| 4111396 | CIF | C33 H46 O21 | P 1 21 1 | 8.841; 17.598; 12.876 90; 98.67; 90 | 1980.4 | Yvan Guindon; Mohammed Bencheqroun; Abderrahim Bouzide Synthesis of Postulated Molecular Probes: Stereoselective Free-Radical-MediatedC-Glycosylation in Tandem with Hydrogen Transfer Journal of the American Chemical Society, 2005, 127, 554-558 |
| 4111397 | CIF | C13 H32 Br2 N2 O2 | P 1 | 6.8915; 7.0243; 10.7781 103.58; 93.139; 111.337 | 466.7 | Jared L. Anderson; Rongfang Ding; Arkady Ellern; Daniel W. Armstrong Structure and Properties of High Stability Geminal Dicationic Ionic Liquids Journal of the American Chemical Society, 2005, 127, 593-604 |
| 4111398 | CIF | C11 H18 Br2 N4 | P -1 | 5.0921; 11.1143; 13.5598 76.565; 80.455; 84.162 | 734.48 | Jared L. Anderson; Rongfang Ding; Arkady Ellern; Daniel W. Armstrong Structure and Properties of High Stability Geminal Dicationic Ionic Liquids Journal of the American Chemical Society, 2005, 127, 593-604 |
| 4111399 | CIF | C13 H28 Br2 N2 | P b c a | 21.367; 19.888; 23.787 90; 90; 90 | 10108 | Jared L. Anderson; Rongfang Ding; Arkady Ellern; Daniel W. Armstrong Structure and Properties of High Stability Geminal Dicationic Ionic Liquids Journal of the American Chemical Society, 2005, 127, 593-604 |
| 4111400 | CIF | C30 H34 Ca Cl2 N4 O20 Zn2 | C 1 2/c 1 | 10.824; 15.726; 22.462 90; 92.693; 90 | 3819 | Shigehisa Akine; Takanori Taniguchi; Toshiyuki Saiki; Tatsuya Nabeshima Ca2± and Ba2±Selective Receptors Based on Site-Selective Transmetalation of Multinuclear Polyoxime-Zinc(II) Complexes Journal of the American Chemical Society, 2005, 127, 540-541 |
| 4111401 | CIF | C43.5 H61 B Br Fe2 O2 P Pd | P -1 | 10.5992; 12.4799; 16.162 96.715; 92.452; 93.815 | 2115.7 | Holger Braunschweig; Krzysztof Radacki; Daniela Rais; Fabian Seeler; Katharina Uttinger Heterodinuclear Bridged Borylene Complexes Journal of the American Chemical Society, 2005, 127, 1386-1387 |
| 4111402 | CIF | C H K N2 O2 | I -4 2 d | 9.2329; 9.2329; 9.3868 90; 90; 90 | 800.19 | Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding Journal of the American Chemical Society, 2005, 127, 1360-1361 |
| 4111403 | CIF | C13 H25 K N2 O8 | P 1 c 1 | 8.2137; 14.215; 7.9909 90; 99.816; 90 | 919.3 | Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding Journal of the American Chemical Society, 2005, 127, 1360-1361 |
| 4111404 | CIF | C H Cs N2 O2 | P 1 21/c 1 | 4.6921; 12.7144; 7.849 90; 99.2655; 90 | 462.14 | Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding Journal of the American Chemical Society, 2005, 127, 1360-1361 |
| 4111405 | CIF | C53 H40 O3 | P 21 21 21 | 10.3095; 10.4553; 35.754 90; 90; 90 | 3853.9 | Aditya K. Unni; Norito Takenaka; Hisashi Yamamoto; Viresh H. Rawal Axially Chiral Biaryl Diols Catalyze Highly Enantioselective Hetero-Diels-Alder Reactions through Hydrogen Bonding Journal of the American Chemical Society, 2005, 127, 1336-1337 |
| 4111406 | CIF | C28 H41 N O Th | P 1 21/n 1 | 12.379; 15.315; 13.674 90; 91.05; 90 | 2591.9 | Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes Journal of the American Chemical Society, 2005, 127, 1338-1339 |
| 4111407 | CIF | C34 H45 N O Th | P 1 21 1 | 9.812; 15.279; 10.093 90; 96.897; 90 | 1502.2 | Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes Journal of the American Chemical Society, 2005, 127, 1338-1339 |
| 4111408 | CIF | C32 H41 N O U | P 1 21/n 1 | 10.4834; 23.4188; 11.3589 90; 94.019; 90 | 2781.9 | Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes Journal of the American Chemical Society, 2005, 127, 1338-1339 |
| 4111409 | CIF | C32 H41 N O Th | P 1 21/n 1 | 10.4583; 23.2441; 11.4942 90; 93.672; 90 | 2788.43 | Jaime A. Pool; Brian L. Scott; Jaqueline L. Kiplinger A New Mode of Reactivity for Pyridine N-Oxide: C-H Activation with Uranium(IV) and Thorium(IV) Bis(alkyl) Complexes Journal of the American Chemical Society, 2005, 127, 1338-1339 |
| 4111410 | CIF | C26 H32 N2 O12 Zn3 | P 1 21/n 1 | 17.664; 14.848; 18.129 90; 112.14; 90 | 4404.2 | Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units Journal of the American Chemical Society, 2005, 127, 1504-1518 |
| 4111411 | CIF | C24 H28 Co N2 O7 | C 1 2/c 1 | 29.6774; 9.6295; 7.9812 90; 97.69; 90 | 2260.3 | Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units Journal of the American Chemical Society, 2005, 127, 1504-1518 |
| 4111412 | CIF | C46 H43 Cd2 N O10 | P -1 | 10.1023; 14.412; 14.9635 70.59; 72.752; 87.142 | 1959.5 | Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units Journal of the American Chemical Society, 2005, 127, 1504-1518 |
| 4111413 | CIF | C33 H30 N2 O10 Tb | P -1 | 9.8294; 12.1098; 14.6279 109.75; 103.613; 100.14 | 1529.29 | Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units Journal of the American Chemical Society, 2005, 127, 1504-1518 |
| 4111414 | CIF | C12 H16 O6 Pb | P 1 21/n 1 | 8.3639; 17.9914; 9.9617 90; 102.687; 90 | 1462.42 | Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units Journal of the American Chemical Society, 2005, 127, 1504-1518 |
| 4111415 | CIF | C2.75 H Co0.25 N0.25 O1.25 | I m m a | 19.2301; 7.2386; 8.8481 90; 90; 90 | 1231.65 | Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units Journal of the American Chemical Society, 2005, 127, 1504-1518 |
| 4111416 | CIF | C18 H8 Cd1.5 N O8 | C 1 2/c 1 | 13.686; 18.252; 14.906 90; 101.07; 90 | 3654.2 | Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units Journal of the American Chemical Society, 2005, 127, 1504-1518 |
| 4111417 | CIF | C17 H17 Mn1.5 N O7 | C 1 2/c 1 | 24.7821; 10.5842; 17.4219 90; 129.932; 90 | 3504.1 | Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units Journal of the American Chemical Society, 2005, 127, 1504-1518 |
| 4111418 | CIF | C14 H20 N2 O10 Zn2 | R -3 :H | 25.9322; 25.9322; 6.8365 90; 90; 120 | 3981.5 | Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units Journal of the American Chemical Society, 2005, 127, 1504-1518 |
| 4111419 | CIF | C12 H16 N3 O9 S Tb | P 1 21/n 1 | 10.6926; 10.6727; 15.7533 90; 95.865; 90 | 1788.3 | Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units Journal of the American Chemical Society, 2005, 127, 1504-1518 |
| 4111420 | CIF | C12 H13 N O8.5 Tb | P 43 2 2 | 10.2792; 10.2792; 14.5376 90; 90; 90 | 1536.1 | Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units Journal of the American Chemical Society, 2005, 127, 1504-1518 |
| 4111421 | CIF | C7 H6 O4 Zn | I 41/a :2 | 7.261; 7.261; 25.471 90; 90; 90 | 1342.9 | Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units Journal of the American Chemical Society, 2005, 127, 1504-1518 |
| 4111422 | CIF | C14 H46 Ga2 N4 Si4 | P 1 21/n 1 | 6.7657; 16.3874; 12.2285 90; 90.023; 90 | 1355.8 | Bethany L. Kormos; Jolin A. Jegier; Paul C. Ewbank; Udo Pernisz; Victor G. Young; Christopher J. Cramer; Wayne L. Gladfelter Oligomeric Rods of Alkyl- and Hydridogallium Imides Journal of the American Chemical Society, 2005, 127, 1493-1503 |
| 4111423 | CIF | C24 H25 Br O5 | P 1 21 1 | 6.3815; 16.4835; 10.9674 90; 106.542; 90 | 1105.91 | Liang Deng; Anthony J. Giessert; Oksana O. Gerlitz; Xing Dai; Steven T. Diver; Huw M. L. Davies Metal Carbene-Promoted Sequential Transformations for the Enantioselective Synthesis of Highly Functionalized Cycloheptadienes Journal of the American Chemical Society, 2005, 127, 1342-1343 |
| 4111424 | CIF | C54 H57 Cl N2 P2 Ru | P 1 | 10.8185; 13.0054; 16.0637 83.061; 77.156; 81.597 | 2170.78 | Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst? Journal of the American Chemical Society, 2005, 127, 1870-1882 |
| 4111425 | CIF | C38 H39 Cl N2 P2 Ru | P -1 | 13.3032; 14.062; 18.4444 81.56; 81.239; 89.956 | 3372.4 | Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst? Journal of the American Chemical Society, 2005, 127, 1870-1882 |
| 4111426 | CIF | C54 H55 N2 O2 P3 Ru | P 1 | 11.0741; 13.71; 16.8074 84.21; 82.089; 67.678 | 2334.82 | Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst? Journal of the American Chemical Society, 2005, 127, 1870-1882 |
| 4111427 | CIF | C92 H85 N2 P4 Ru2 | P -1 | 10.4107; 14.1121; 27.0744 97.828; 97.705; 101.796 | 3803.25 | Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst? Journal of the American Chemical Society, 2005, 127, 1870-1882 |
| 4111428 | CIF | C32 H29 Cl P2 Pt S | P 1 21/n 1 | 11.84; 14.971; 16.114 90; 90.842; 90 | 2856 | P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase Journal of the American Chemical Society, 2005, 127, 1933-1945 |
| 4111429 | CIF | C25 H48 N2 Pd S3 | P 1 21/c 1 | 19.899; 9.5261; 15.329 90; 94.378; 90 | 2897.3 | P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase Journal of the American Chemical Society, 2005, 127, 1933-1945 |
| 4111430 | CIF | C11 H24 Cl2 Fe N2 Ni S2 | P 21 21 21 | 8.8102; 12.479; 16.025 90; 90; 90 | 1761.8 | P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase Journal of the American Chemical Society, 2005, 127, 1933-1945 |
| 4111431 | CIF | C58 H78 Cl6 N4 Ni5 P2 S4 | P 1 21/n 1 | 9.5118; 15.7143; 21.7253 90; 93.42; 90 | 3241.5 | P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase Journal of the American Chemical Society, 2005, 127, 1933-1945 |
| 4111432 | CIF | C29 H39 Cl F6 N2 Ni P2 Pd S2 | P -1 | 8.537; 14.338; 15.089 98.508; 101.711; 106.176 | 1695.3 | P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase Journal of the American Chemical Society, 2005, 127, 1933-1945 |
| 4111433 | CIF | C29 H39 Cl F6 N2 Ni P2 Pt S2 | P -1 | 8.521; 14.353; 15.153 98.851; 101.594; 106.111 | 1700.3 | P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase Journal of the American Chemical Society, 2005, 127, 1933-1945 |
| 4111434 | CIF | C25 H38 F6 N2 Ni2 P2 S3 | P -1 | 9.888; 10.803; 15.035 95.877; 96.162; 95.472 | 1579.2 | P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase Journal of the American Chemical Society, 2005, 127, 1933-1945 |
| 4111435 | CIF | C25 H38 F6 N2 Ni P2 Pd S3 | P -1 | 9.8976; 10.9346; 15.043 94.906; 96.752; 94.115 | 1605.3 | P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase Journal of the American Chemical Society, 2005, 127, 1933-1945 |
| 4111436 | CIF | C25 H38 F6 N2 Ni P2 Pt S3 | P -1 | 9.731; 10.97; 15.1 94.878; 96.693; 93.495 | 1591 | P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase Journal of the American Chemical Society, 2005, 127, 1933-1945 |
| 4111437 | CIF | C44 H42 Cl2 N2 Ni O2 P2 Pt S2 | P 21 21 21 | 11.4615; 14.999; 24.035 90; 90; 90 | 4131.9 | P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase Journal of the American Chemical Society, 2005, 127, 1933-1945 |
| 4111438 | CIF | C83 H119.5 Fe4 N4.5 Ni O0.5 S15 | C 1 c 1 | 21.0484; 30.319; 31.941 90; 91.844; 90 | 20373 | P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase Journal of the American Chemical Society, 2005, 127, 1933-1945 |
| 4111439 | CIF | C160 H215 Fe8 N7 S27 | P -1 | 23.596; 24.803; 40.915 86.471; 80.242; 64.576 | 21312 | P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase Journal of the American Chemical Society, 2005, 127, 1933-1945 |
| 4111440 | CIF | C56 H46 O2 Si2 | P 1 21/c 1 | 11.9103; 15.6951; 12.4372 90; 105.863; 90 | 2236.4 | Chaihong Xu; Atsushi Wakamiya; Shigehiro Yamaguchi Ladder Oligo(p-phenylenevinylene)s with Silicon and Carbon Bridges Journal of the American Chemical Society, 2005, 127, 1638-1639 |
| 4111441 | CIF | C138 H136 Si4 | P 1 21/n 1 | 10.488; 23.117; 23.601 90; 91.0748; 90 | 5721 | Chaihong Xu; Atsushi Wakamiya; Shigehiro Yamaguchi Ladder Oligo(p-phenylenevinylene)s with Silicon and Carbon Bridges Journal of the American Chemical Society, 2005, 127, 1638-1639 |
| 4111442 | CIF | C32 H31 N3 O8 S | P -1 | 9.3478; 12.7131; 13.9069 97.349; 109.127; 97.243 | 1523.5 | Mu-Hyun Baik; Erich W. Baum; Matthew C. Burland; P. Andrew Evans Diastereoselective Intermolecular Rhodium-Catalyzed [4 + 2 + 2] Carbocyclization Reactions: Computational and Experimental Evidence for the Intermediacy of an Alternative Metallacycle Intermediate Journal of the American Chemical Society, 2005, 127, 1602-1603 |
| 4111443 | CIF | C81 H91 B2 Ir N6 O3 | P -1 | 14.4595; 15.121; 19.5755 86.599; 68.876; 61.576 | 3478.1 | Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin IrII(ethene): Metal or Carbon Radical? Journal of the American Chemical Society, 2005, 127, 1895-1905 |
| 4111444 | CIF | C23 H28 F6 Ir N4 P | P 1 21/c 1 | 9.1802; 11.5828; 23.581 90; 101.193; 90 | 2459.7 | Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin IrII(ethene): Metal or Carbon Radical? Journal of the American Chemical Society, 2005, 127, 1895-1905 |
| 4111445 | CIF | C23 H28 F12 Ir N4 P2 | P 1 21/a 1 | 13.072; 12.454; 18.86 90; 109.734; 90 | 2890.1 | Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin IrII(ethene): Metal or Carbon Radical? Journal of the American Chemical Society, 2005, 127, 1895-1905 |
| 4111446 | CIF | C22 H26 F6 Ir N4 P | P 1 21/c 1 | 13.9423; 13.2295; 14.7294 90; 116.392; 90 | 2433.7 | Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin IrII(ethene): Metal or Carbon Radical? Journal of the American Chemical Society, 2005, 127, 1895-1905 |
| 4111447 | CIF | C50 H61 F24 Ir2 N11 P4 | P -1 | 12.1371; 14.9716; 19.096 73.115; 80.005; 73.965 | 3174.7 | Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin IrII(ethene): Metal or Carbon Radical? Journal of the American Chemical Society, 2005, 127, 1895-1905 |
| 4111448 | CIF | C25 H33 F12 Ir N5 O P2 S | P -1 | 12.5; 12.837; 13.093 61.49; 75.105; 68.503 | 1709 | Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin IrII(ethene): Metal or Carbon Radical? Journal of the American Chemical Society, 2005, 127, 1895-1905 |
| 4111449 | CIF | C21 H24 Cl F6 Ir N4 P | P 1 21/n 1 | 10.5432; 16.3409; 13.4964 90; 94.8074; 90 | 2317.05 | Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin IrII(ethene): Metal or Carbon Radical? Journal of the American Chemical Society, 2005, 127, 1895-1905 |
| 4111450 | CIF | C72 H70 B2 Ir N5 O2 | P 1 21/c 1 | 17.6536; 12.464; 27.7263 90; 90.002; 90 | 6100.7 | Dennis G. H. Hetterscheid; Jasper Kaiser; Eduard Reijerse; Theo P. J. Peters; Simone Thewissen; Arno N. J. Blok; Jan M. M. Smits; René de Gelder; Bas de Bruin IrII(ethene): Metal or Carbon Radical? Journal of the American Chemical Society, 2005, 127, 1895-1905 |
| 4111451 | CIF | C26 H40 K N2 O10 | P b c a | 16.027; 14.913; 23.619 90; 90; 90 | 5645 | Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi "Separated" versus "Contact" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion Journal of the American Chemical Society, 2005, 127, 1797-1809 |
| 4111452 | CIF | C34 H44 K N2 O14 | P -1 | 12.1156; 12.8981; 12.9427 111.682; 91.833; 110.057 | 1736.03 | Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi "Separated" versus "Contact" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion Journal of the American Chemical Society, 2005, 127, 1797-1809 |
| 4111453 | CIF | C24 H40 K N4 O10 | P 1 21/c 1 | 18.232; 11.6937; 13.9494 90; 107.036; 90 | 2843.5 | Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi "Separated" versus "Contact" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion Journal of the American Chemical Society, 2005, 127, 1797-1809 |
| 4111454 | CIF | C30 H52 K2 N2 O16 | P 1 21/c 1 | 20.411; 8.3205; 22.718 90; 103.938; 90 | 3744.6 | Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi "Separated" versus "Contact" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion Journal of the American Chemical Society, 2005, 127, 1797-1809 |
| 4111455 | CIF | C44 H64 B F3 K N O7.5 | P -1 | 8.551; 10.112; 26.361 91.776; 98.641; 99.773 | 2217.1 | Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes Journal of the American Chemical Society, 2005, 127, 1854-1869 |
| 4111456 | CIF | C30.5 H45.5 N3 O Pd | P -1 | 13.9617; 14.0737; 17.2592 93.22; 110.871; 98.433 | 3112.9 | Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes Journal of the American Chemical Society, 2005, 127, 1854-1869 |
| 4111457 | CIF | C26.22 H36.44 Cl0.44 N2 O Pd | P b c n | 23.574; 14.38; 31.49 90; 90; 90 | 10675 | Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes Journal of the American Chemical Society, 2005, 127, 1854-1869 |
| 4111458 | CIF | C42 H69.5 B F3 K N2.5 O7 P Pd | P -1 | 14.004; 16.841; 21.172 85.573; 80.042; 88.58 | 4903 | Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes Journal of the American Chemical Society, 2005, 127, 1854-1869 |
| 4111459 | CIF | C92 H132 Cl4 N9 O3 Pd3 | P 1 21/c 1 | 23.5116; 17.1359; 27.4042 90; 113.717; 90 | 10108.5 | Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes Journal of the American Chemical Society, 2005, 127, 1854-1869 |
| 4111460 | CIF | C21 H24 N2 O4 | P n m a | 9.5911; 38.692; 5.0505 90; 90; 90 | 1874.23 | Hegui Gong; Michael J. Krische Duplex Molecular Strands Based on the 3,6-Diaminopyridazine Hydrogen Bonding Motif: Amplifying Small-Molecule Self-Assembly Preferences through Preorganization and Iterative Arrangement of Binding Residues Journal of the American Chemical Society, 2005, 127, 1719-1725 |
| 4111461 | CIF | C70 H84 N16 O4 | P 1 21/c 1 | 20.6093; 9.6923; 16.071 90; 97.685; 90 | 3181.4 | Hegui Gong; Michael J. Krische Duplex Molecular Strands Based on the 3,6-Diaminopyridazine Hydrogen Bonding Motif: Amplifying Small-Molecule Self-Assembly Preferences through Preorganization and Iterative Arrangement of Binding Residues Journal of the American Chemical Society, 2005, 127, 1719-1725 |
| 4111462 | CIF | C4 H6 N4 | C 1 2/c 1 | 7.8166; 14.6283; 9.1974 90; 107.032; 90 | 1005.54 | Hegui Gong; Michael J. Krische Duplex Molecular Strands Based on the 3,6-Diaminopyridazine Hydrogen Bonding Motif: Amplifying Small-Molecule Self-Assembly Preferences through Preorganization and Iterative Arrangement of Binding Residues Journal of the American Chemical Society, 2005, 127, 1719-1725 |
| 4111463 | CIF | C55 H56 B Fe N P3 | P 1 21/n 1 | 16.4143; 14.1225; 20.7686 90; 109.186; 90 | 4547 | Steven D. Brown; Jonas C. Peters Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers Journal of the American Chemical Society, 2005, 127, 1913-1923 |
| 4111464 | CIF | C51 H47 B Fe N3 P3 | P -1 | 13.0738; 14.2209; 14.6878 118.227; 95.229; 111.09 | 2128.4 | Steven D. Brown; Jonas C. Peters Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers Journal of the American Chemical Society, 2005, 127, 1913-1923 |
| 4111465 | CIF | C75 H100 B Fe N2 O P3 | P -1 | 12.173; 14.051; 22.131 71.61; 79.79; 68.373 | 3331.2 | Steven D. Brown; Jonas C. Peters Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers Journal of the American Chemical Society, 2005, 127, 1913-1923 |
| 4111466 | CIF | C114 H130 B2 Fe2 N Na O6 P6 | P 1 21/c 1 | 16.791; 13.7352; 43.299 90; 93.653; 90 | 9965.7 | Steven D. Brown; Jonas C. Peters Ground-State Singlet L3Fe-(μ-N)-FeL3 and L3Fe(NR) Complexes Featuring Pseudotetrahedral Fe(II) Centers Journal of the American Chemical Society, 2005, 127, 1913-1923 |
| 4111467 | CIF | C29 H26 Fe Ni2 Si | P c a 21 | 14.277; 9.3405; 17.8241 90; 90; 90 | 2376.92 | Wing Yan Chan; Scott B. Clendenning; Andrea Berenbaum; Alan J. Lough; Stephane Aouba; Harry E. Ruda; Ian Manners Highly Metallized Polymers: Synthesis, Characterization, and Lithographic Patterning of Polyferrocenylsilanes with Pendant Cobalt, Molybdenum, and Nickel Cluster Substituents Journal of the American Chemical Society, 2005, 127, 1765-1772 |
| 4111468 | CIF | C37 H39 N Zr | P b c a | 14.4356; 15.5402; 25.6347 90; 90; 90 | 5750.7 | Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes Journal of the American Chemical Society, 2005, 127, 1752-1764 |
| 4111469 | CIF | C27 H33 N Zr | P 1 21/c 1 | 16.713; 7.98; 16.138 90; 92.41; 90 | 2150 | Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes Journal of the American Chemical Society, 2005, 127, 1752-1764 |
| 4111470 | CIF | C36 H41 N Sn Zr | P -1 | 9.1388; 13.1102; 16.0211 66.542; 78.127; 82.211 | 1720.12 | Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes Journal of the American Chemical Society, 2005, 127, 1752-1764 |
| 4111471 | CIF | C31 H39 N Zr | P 1 21/c 1 | 9.846; 18.663; 14.673 90; 106.62; 90 | 2583.6 | Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes Journal of the American Chemical Society, 2005, 127, 1752-1764 |
| 4111472 | CIF | C15.5 H33 Cl F6 Fe N4 P S | P -3 c 1 | 15.037; 15.037; 17.395 90; 90; 120 | 3406.3 | Adam T. Fiedler; Heather L. Halfen; Jason A. Halfen; Thomas C. Brunold Synthesis, Structure Determination, and Spectroscopic/Computational Characterization of a Series of Fe(II)-Thiolate Model Complexes: Implications for Fe-S Bonding in Superoxide Reductases Journal of the American Chemical Society, 2005, 127, 1675-1689 |
| 4111473 | CIF | C22 H39 F3 Fe N4 O4 S2 | P n a 21 | 17.952; 16.829; 17.932 90; 90; 90 | 5417.5 | Adam T. Fiedler; Heather L. Halfen; Jason A. Halfen; Thomas C. Brunold Synthesis, Structure Determination, and Spectroscopic/Computational Characterization of a Series of Fe(II)-Thiolate Model Complexes: Implications for Fe-S Bonding in Superoxide Reductases Journal of the American Chemical Society, 2005, 127, 1675-1689 |
| 4111474 | CIF | C15 H12 O2 | P 1 21/c 1 | 12.061; 15.232; 12.918 90; 102.32; 90 | 2318.6 | Wender, Paul A.; Gamber, Gabriel G.; Hubbard, Robert D.; Pham, Son M.; Zhang, Lei Multicomponent Cycloadditions: The Four-Component [5+1+2+1] Cycloaddition of Vinylcyclopropanes, Alkynes, and CO Journal of the American Chemical Society, 2005, 127, 2836-2837 |
| 4111475 | CIF | C59 H50 Cl2 Os P2 | P b c a | 11.154; 24.671; 35.434 90; 90; 90 | 9751 | Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia Syntheses of Metallabenzynes from an Allenylcarbene Complex Journal of the American Chemical Society, 2005, 127, 2856-2857 |
| 4111476 | CIF | C61 H50 Cl4 Os P2 | P -1 | 12.7467; 14.0114; 17.2587 77.178; 70.503; 78.564 | 2807.2 | Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia Syntheses of Metallabenzynes from an Allenylcarbene Complex Journal of the American Chemical Society, 2005, 127, 2856-2857 |
| 4111477 | CIF | C62 H52 Cl4 Os P2 | P -1 | 12.5348; 13.5531; 17.753 95.84; 100.034; 116.607 | 2599.4 | Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia Syntheses of Metallabenzynes from an Allenylcarbene Complex Journal of the American Chemical Society, 2005, 127, 2856-2857 |
| 4111478 | CIF | C60 H56 Cl6 Os P2 | P -1 | 12.6117; 13.9967; 16.439 76.998; 73.868; 78.661 | 2688.1 | Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia Syntheses of Metallabenzynes from an Allenylcarbene Complex Journal of the American Chemical Society, 2005, 127, 2856-2857 |
| 4111479 | CIF | C30.5 H49 Cl1.5 F6 N2 O11 Pd S2 | P 1 21/n 1 | 13.0714; 19.7126; 17.3751 90; 95.9628; 90 | 4452.84 | Candace N. Cornell; Matthew S. Sigman Discovery of and Mechanistic Insight into a Ligand-Modulated Palladium-Catalyzed Wacker Oxidation of Styrenes Using TBHP Journal of the American Chemical Society, 2005, 127, 2796-2797 |
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