Crystallography Open Database

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Searching volume of publication is 127

COD ID: 1000436
CIF file	Formula: - La0.597 Li0.21 O3 Ti - Comments: 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 127 (1996) 283-294 Space group: P 4/m m m Cell volume: 116.6 Cell parameters: 3.8714; 3.8714; 7.7789; 90; 90; 90;

COD ID: 1000437
CIF file	Formula: - La0.557 Li0.33 O3 Ti - Comments: 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 127 (1996) 283-294 Space group: P 4/m m m Cell volume: 116.3 Cell parameters: 3.8741; 3.8741; 7.7459; 90; 90; 90;

COD ID: 1000438
CIF file	Formula: - La0.587 Li0.24 O3 Ti - Comments: 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 127 (1996) 283-294 Space group: P 4/m m m Cell volume: 116.5 Cell parameters: 3.87; 3.87; 7.78; 90; 90; 90;

COD ID: 1001733
CIF file	Formula: - K6.595 Mo2.34 O31 P4 W3.66 - Comments: 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 127 (1996) 1-8 Space group: R -3 :H Cell volume: 4189.1 Cell parameters: 17.545; 17.545; 15.714; 90; 90; 120;

COD ID: 1001734

CIF file

Formula: - Mn Nd0.7 O3 Sr0.3 -
Comments: 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 127 (1996) 131-135
Space group: P n m a
Cell volume: 230.1
Cell parameters: 5.4599; 7.711; 5.466; 90; 90; 90;

COD ID: 1001735

CIF file

Formula: - Ca0.22 Mn Nd0.7 O3 Sr0.08 -
Comments: 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 127 (1996) 131-135
Space group: P n m a
Cell volume: 227.7
Cell parameters: 5.4708; 7.6708; 5.4254; 90; 90; 90;

COD ID: 1001736

CIF file

Formula: - Ca0.3 Mn Nd0.7 O3 -
Comments: 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 127 (1996) 131-135
Space group: P n m a
Cell volume: 226.8
Cell parameters: 5.482; 7.6475; 5.4096; 90; 90; 90;

COD ID: 1001737

CIF file

Formula: - Mn Nd0.7 O3 Sr0.3 -
Comments: 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 127 (1996) 131-135
Space group: P n m a
Cell volume: 228.8
Cell parameters: 5.4494; 7.6964; 5.4547; 90; 90; 90;

COD ID: 1001738

CIF file

Formula: - Ca0.22 Mn Nd0.7 O3 Sr0.08 -
Comments: 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 127 (1996) 131-135
Space group: P n m a
Cell volume: 226.9
Cell parameters: 5.4734; 7.6583; 5.4139; 90; 90; 90;

COD ID: 1001739

CIF file

Formula: - Ca0.3 Mn Nd0.7 O3 -
Comments: 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 127 (1996) 131-135
Space group: P 1 21/m 1
Cell volume: 226.1
Cell parameters: 5.4881; 7.6337; 5.3968; 90; 90.2; 90;

COD ID: 1001747

CIF file

Formula: - Ca3.8 Cl3.84 Cu3 Gd2.2 O8.16 -
Comments: 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 127 (1996) 315-324
Space group: I 4/m m m
Cell volume: 631.8
Cell parameters: 3.8865; 3.8865; 41.827; 90; 90; 90;

COD ID: 1001748
CIF file	Formula: - O9 P2 Sr V2 - Comments: 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 127 (1996) 325-330 Space group: P n m a Cell volume: 696.2 Cell parameters: 14.22; 6.5138; 7.5166; 90; 90; 90;

COD ID: 1001749
CIF file	Formula: - Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y - Comments: 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 127 (1996) 64-71 Space group: C m m m Cell volume: 458.9 Cell parameters: 5.386; 5.4195; 15.72; 90; 90; 90;

COD ID: 1005029
CIF file	Formula: - Ba Co S2 - Comments: 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 127 (1996) 211-221 Space group: P 4/n m m :2 Cell volume: 186.6 Cell parameters: 4.568; 4.568; 8.942; 90; 90; 90;

COD ID: 1005030
CIF file	Formula: - Ba Co S1.84 - Comments: 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 127 (1996) 211-221 Space group: C m m a Cell volume: 373.6 Cell parameters: 6.439; 6.4909; 8.9379; 90; 90; 90;

COD ID: 1008574
CIF file	Formula: - F4 H2 Mn O Tl - Comments: 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 127 (1991) 505-517 Space group: C 1 2/c 1 Cell volume: 935.9 Cell parameters: 13.784; 6.631; 10.537; 90; 103.66; 90;

COD ID: 1008575
CIF file	Formula: - F4 H2 Mn O Tl - Comments: 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 127 (1991) 505-517 Space group: C 1 2/c 1 Cell volume: 911.3 Cell parameters: 13.6775; 6.5865; 10.389; 90; 103.176; 90;

COD ID: 1008576
CIF file	Formula: - F4 H2 Mn O Rb - Comments: 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 127 (1991) 505-517 Space group: C 1 2/c 1 Cell volume: 905.3 Cell parameters: 13.838; 6.429; 10.486; 90; 103.97; 90;

COD ID: 1008972

CIF file

Formula: - C5 H9 Ce2 O15.5 -
Comments: 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 127 (1996) 256-266
Space group: P -1
Cell volume: 666.7
Cell parameters: 6.329; 8.743; 13.004; 105.59; 90.47; 105.13;

COD ID: 1008973
CIF file	Formula: - C3 H Ce O6 - Comments: 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 127 (1996) 256-266 Space group: P n m a Cell volume: 534.1 Cell parameters: 7.322; 10.825; 6.738; 90; 90; 90;

COD ID: 1010274
CIF file	Formula: - F H4 N - Comments: Zachariasen, W H Die Kristallstruktur des Ammoniumfluorids. Zeitschrift fuer Physikalische Chemie (Leipzig) 127 (1927) 218-224 Space group: P 63 m c Cell volume: 117.2 Cell parameters: 4.39; 4.39; 7.02; 90; 90; 120;

COD ID: 1010413
CIF file	Formula: - Cr O3 - Comments: Wooster, W A; Wooster, N Crystal Structure of Chromium Trioxide Nature (London) 127 (1931) 782-782 Space group: C c m m Cell volume: 230 Cell parameters: 8.5; 4.73; 5.72; 90; 90; 90;

COD ID: 1010880
CIF file	Formula: - Ca Se - Comments: Oftedal, I Die Gitterkonstanten von Ca O, Ca S, Ca Se, Ca Te. Zeitschrift fuer Physikalische Chemie (Leipzig) 127 (1927) 154-158 Space group: F m -3 m Cell volume: 206.6 Cell parameters: 5.912; 5.912; 5.912; 90; 90; 90;

COD ID: 1010881
CIF file	Formula: - Ca Te - Comments: Oftedal, I Die Gitterkonstanten von Ca O, Ca S, Ca Se, Ca Te. Zeitschrift fuer Physikalische Chemie (Leipzig) 127 (1927) 154-158 Space group: F m -3 m Cell volume: 255.4 Cell parameters: 6.345; 6.345; 6.345; 90; 90; 90;

COD ID: 1010882
CIF file	Formula: - Sb Tl - Comments: Barth, T Ueber das System Thallium-Antimon Zeitschrift fuer Physikalische Chemie (Leipzig) 127 (1927) 113-120 Space group: P m -3 m Cell volume: 57.5 Cell parameters: 3.86; 3.86; 3.86; 90; 90; 90;

COD ID: 1011116
CIF file	Formula: - Mg O - Comments: Broch, E. Crystal Structure Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main) 127 (1927) 446-454 Space group: F m -3 m Cell volume: 74.9 Cell parameters: 4.216; 4.216; 4.216; 90; 90; 90;

COD ID: 1100375

CIF file

Formula: - C26 H52 Li2 N6 O4 -
Comments: 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 127(10) (1994) 2059-2064
Space group: P 1 21/c 1
Cell volume: 1682.86
Cell parameters: 9.058; 22.57; 8.392; 90; 101.22; 90;

COD ID: 1100376

CIF file

Formula: - C16 H27 N3 O2 -
Comments: 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 127(10) (1994) 2059-2064
Space group: P 1 21/n 1
Cell volume: 1679.19
Cell parameters: 11.687; 12.462; 12.853; 90; 116.23; 90;

COD ID: 1100395

CIF file

Formula: - C68 H160 Li8 N18 O7 Si10 -
Comments: 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 127(11) (1994) 2193-2195
Space group: C 1 2/m 1
Cell volume: 5659.01
Cell parameters: 23.356; 16.078; 15.402; 90; 101.92; 90;

COD ID: 1509642
CIF file	Formula: - Ag2 Al Sc - Comments: 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 127 (1987) 179-182 Space group: F m -3 m Cell volume: 282.817 Cell parameters: 6.564; 6.564; 6.564; 90; 90; 90;

COD ID: 1509650
CIF file	Formula: - Ag2 In Sc - Comments: 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 127 (1987) 179-182 Space group: F m -3 m Cell volume: 303.464 Cell parameters: 6.72; 6.72; 6.72; 90; 90; 90;

COD ID: 1509783

CIF file

Formula: - Ag2 As3 K5 Se9 -
Comments: 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 127 (1996) 186-201
Space group: P n m a
Cell volume: 2234.34
Cell parameters: 12.599; 12.607; 14.067; 90; 90; 90;

COD ID: 1509845

CIF file

Formula: - Ag3 As Se3 -
Comments: 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 127 (1996) 186-201
Space group: P n m a
Cell volume: 1907.21
Cell parameters: 8.111; 11.344; 20.728; 90; 90; 90;

COD ID: 1509856

CIF file

Formula: - Ag3 As2 K S5 -
Comments: 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 127 (1996) 186-201
Space group: P n m a
Cell volume: 2057.2
Cell parameters: 19.21; 16.867; 6.3491; 90; 90; 90;

COD ID: 1510427
CIF file	Formula: - Au2 In Sc - Comments: 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 127 (1987) 179-182 Space group: F m -3 m Cell volume: 299.687 Cell parameters: 6.692; 6.692; 6.692; 90; 90; 90;

COD ID: 1511015
CIF file	Formula: - B0.024 O2 Ti - Comments: 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 127 (1996) 240-247 Space group: P 42/m n m Cell volume: 63.039 Cell parameters: 4.6092; 4.6092; 2.9673; 90; 90; 90;

COD ID: 1511208
CIF file	Formula: - B La Pt2 - Comments: 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 127 (2003) 379-383 Space group: P 62 2 2 Cell volume: 208.574 Cell parameters: 5.5222; 5.5222; 7.8978; 90; 90; 120;

COD ID: 1511261
CIF file	Formula: - B Nd Pt2 - Comments: 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 127 (2003) 379-383 Space group: P 62 2 2 Cell volume: 200.781 Cell parameters: 5.4242; 5.4242; 7.8799; 90; 90; 120;

COD ID: 1522897
CIF file	Formula: - Gd2 Zn17 - Comments: Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals 127 (1987) 189-197 Space group: R -3 m :H Cell volume: 923.027 Cell parameters: 8.9963; 8.9963; 13.1691; 90; 90; 120;

COD ID: 1522898
CIF file	Formula: - Yb2 Zn17 - Comments: Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals 127 (1987) 189-197 Space group: R -3 m :H Cell volume: 933.835 Cell parameters: 9.0336; 9.0336; 13.2135; 90; 90; 120;

COD ID: 1522899
CIF file	Formula: - Y2 Zn17 - Comments: Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals 127 (1987) 189-197 Space group: R -3 m :H Cell volume: 916.096 Cell parameters: 8.9719; 8.9719; 13.1414; 90; 90; 120;

COD ID: 1522900
CIF file	Formula: - La2 Zn17 - Comments: Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals 127 (1987) 189-197 Space group: R -3 m :H Cell volume: 962.887 Cell parameters: 9.1315; 9.1315; 13.334; 90; 90; 120;

COD ID: 1522901
CIF file	Formula: - Pr2 Zn17 - Comments: Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals 127 (1987) 189-197 Space group: R -3 m :H Cell volume: 944.861 Cell parameters: 9.0711; 9.0711; 13.2592; 90; 90; 120;

COD ID: 1522902
CIF file	Formula: - Nd2 Zn17 - Comments: Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals 127 (1987) 189-197 Space group: R -3 m :H Cell volume: 938.578 Cell parameters: 9.0497; 9.0497; 13.2334; 90; 90; 120;

COD ID: 1522903
CIF file	Formula: - Sm2 Zn17 - Comments: Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals 127 (1987) 189-197 Space group: R -3 m :H Cell volume: 929.474 Cell parameters: 9.0189; 9.0189; 13.1947; 90; 90; 120;

COD ID: 1522904
CIF file	Formula: - Tb2 Zn17 - Comments: Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals 127 (1987) 189-197 Space group: R -3 m :H Cell volume: 917.96 Cell parameters: 8.9787; 8.9787; 13.1482; 90; 90; 120;

COD ID: 1522905
CIF file	Formula: - Ho2 Zn17 - Comments: Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals 127 (1987) 189-197 Space group: R -3 m :H Cell volume: 911.912 Cell parameters: 8.9566; 8.9566; 13.1261; 90; 90; 120;

COD ID: 1522906
CIF file	Formula: - Tm2 Zn17 - Comments: Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals 127 (1987) 189-197 Space group: R -3 m :H Cell volume: 906.816 Cell parameters: 8.9374; 8.9374; 13.1089; 90; 90; 120;

COD ID: 1522907
CIF file	Formula: - Lu2 Zn17 - Comments: Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals 127 (1987) 189-197 Space group: R -3 m :H Cell volume: 903.251 Cell parameters: 8.9223; 8.9223; 13.1016; 90; 90; 120;

COD ID: 1523488
CIF file	Formula: - Pd2 Sn Tb - Comments: 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 127 (1987) 179-182 Space group: F m -3 m Cell volume: 305.637 Cell parameters: 6.736; 6.736; 6.736; 90; 90; 90;

COD ID: 1523489
CIF file	Formula: - Pt2 Sc Sn - Comments: 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 127 (1987) 179-182 Space group: F m -3 m Cell volume: 276.403 Cell parameters: 6.514; 6.514; 6.514; 90; 90; 90;

COD ID: 1523490
CIF file	Formula: - Ga Ni2 Sc - Comments: 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 127 (1987) 179-182 Space group: F m -3 m Cell volume: 218.711 Cell parameters: 6.025; 6.025; 6.025; 90; 90; 90;

COD ID: 1523491
CIF file	Formula: - Ga Pd2 Sc - Comments: 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 127 (1987) 179-182 Space group: F m -3 m Cell volume: 255.564 Cell parameters: 6.346; 6.346; 6.346; 90; 90; 90;

COD ID: 1523492
CIF file	Formula: - Gd In Pd2 - Comments: 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 127 (1987) 179-182 Space group: F m -3 m Cell volume: 308.368 Cell parameters: 6.756; 6.756; 6.756; 90; 90; 90;

COD ID: 1524283
CIF file	Formula: - Cu2 Gd In - Comments: 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 127 (1987) 179-182 Space group: F m -3 m Cell volume: 293.152 Cell parameters: 6.643; 6.643; 6.643; 90; 90; 90;

COD ID: 1524284
CIF file	Formula: - Cu2 Ho In - Comments: 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 127 (1987) 179-182 Space group: F m -3 m Cell volume: 284.371 Cell parameters: 6.576; 6.576; 6.576; 90; 90; 90;

COD ID: 1524285
CIF file	Formula: - Dy In Pd2 - Comments: 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 127 (1987) 179-182 Space group: F m -3 m Cell volume: 303.464 Cell parameters: 6.72; 6.72; 6.72; 90; 90; 90;

COD ID: 1524286
CIF file	Formula: - Er In Pd2 - Comments: 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 127 (1987) 179-182 Space group: F m -3 m Cell volume: 298.078 Cell parameters: 6.68; 6.68; 6.68; 90; 90; 90;

COD ID: 1524756
CIF file	Formula: - Ce3 Zn22 - Comments: 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 127 (1987) 189-197 Space group: I 41/a m d :1 Cell volume: 1704.77 Cell parameters: 8.94; 8.94; 21.33; 90; 90; 90;

COD ID: 1525287
CIF file	Formula: - Er2 Zn17 - Comments: Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare earth-zinc phases Journal of the Less-Common Metals 127 (1987) 189-197 Space group: R -3 m :H Cell volume: 909.426 Cell parameters: 8.9465; 8.9465; 13.1199; 90; 90; 120;

COD ID: 1525288
CIF file	Formula: - Dy2 Zn17 - Comments: Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases Journal of the Less-Common Metals 127 (1987) 189-197 Space group: R -3 m :H Cell volume: 914.329 Cell parameters: 8.9658; 8.9658; 13.1339; 90; 90; 120;

COD ID: 1525289
CIF file	Formula: - Ce2 Zn17 - Comments: Siegrist, T.; le Page, Y. Crystal chemistry of some Th2 Zn17-type rare earth-zinc phases Journal of the Less-Common Metals 127 (1987) 189-197 Space group: R -3 m :H Cell volume: 950.773 Cell parameters: 9.0907; 9.0907; 13.2847; 90; 90; 120;

COD ID: 1525925
CIF file	Formula: - Na2 O7 P2 Pb - Comments: 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 127 (2000) 141-149 Space group: P -1 Cell volume: 322.975 Cell parameters: 5.533; 6.942; 9.44; 105.58; 97.03; 108.32;

COD ID: 1526682
CIF file	Formula: - Ba Ce O3 - Comments: 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 127 (2000) 43-48 Space group: P m c n Cell volume: 338.422 Cell parameters: 8.76035; 6.2214; 6.20939; 90; 90; 90;

COD ID: 1526684
CIF file	Formula: - Ba Ce0.9 H0.14 O2.95 Y0.1 - Comments: 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 127 (2000) 43-48 Space group: P m c n Cell volume: 338.728 Cell parameters: 8.75847; 6.22666; 6.21109; 90; 90; 90;

COD ID: 1530721
CIF file	Formula: - Cl6 O Yb4 - Comments: Schleid, T.; Meyer, G. An oxychloride of divalent ytterbium: Yb4 O Cl6 Journal of the Less-Common Metals 127 (1987) 161-166 Space group: P 63 m c Cell volume: 499.418 Cell parameters: 9.146; 9.146; 6.894; 90; 90; 120;

COD ID: 1533503
CIF file	Formula: - As La - Comments: 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 127 (2003) 573-576 Space group: P 4/m m m Cell volume: 40.21 Cell parameters: 3.625; 3.625; 3.06; 90; 90; 90;

COD ID: 1535366
CIF file	Formula: - B3 H6 N3 - Comments: Boese, R.; Maulitz, A.H.; Stellberg, P. Solid-state borazine: does it deserve to be entitled "inorganic benzene"? Chemische Berichte 127 (1994) 1887-1889 Space group: P 43 21 2 Cell volume: 486.837 Cell parameters: 5.4626; 5.4626; 16.3149; 90; 90; 90;

COD ID: 1536823
CIF file	Formula: - O13 P4 Rb2 Si - Comments: Koenigstein, K.; Jansen, M. Ein einfacher Weg zu Silicium in oktaedrischer Sauerstoffkoordination Chemische Berichte 127 (1994) 1213-1218 Space group: P -1 Cell volume: 554.123 Cell parameters: 4.857; 7.717; 15.089; 83.69; 83.8; 81.95;

COD ID: 1536826
CIF file	Formula: - Cs2 H2 O14 P4 Si - Comments: Koenigstein, K.; Jansen, M. Ein einfacher Weg zu Silicium in oktaedrischer Sauerstoffkoordination Chemische Berichte 127 (1994) 1213-1218 Space group: P -1 Cell volume: 661.452 Cell parameters: 9.157; 9.219; 9.509; 94.99; 111.41; 113.2;

COD ID: 1536829
CIF file	Formula: - Ba H2 O14 P4 Si - Comments: Koenigstein, K.; Jansen, M. Ein einfacher Weg zu Silicium in oktaedrischer Sauerstoffkoordination Chemische Berichte 127 (1994) 1213-1218 Space group: P -1 Cell volume: 255.843 Cell parameters: 4.61; 6.595; 8.975; 75.34; 85.62; 75.76;

COD ID: 1544347
CIF file	Formula: - O5 P2 - Comments: Arbib, E.H.; Elouadi, B.; Chaminade, J.P.; Darriet, J. New refinement of the crystal structure of o-P2O5 Journal of Solid State Chemistry 127 (1996) 350-353 Space group: F d d 2 Cell volume: 697 Cell parameters: 16.314; 8.115; 5.265; 90; 90; 90;

COD ID: 1547278

CIF file

Formula: - C7 H3 N2 O9 Sm -
Comments: 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 127 (2015) 2225-2230
Space group: P 1 21/n 1
Cell volume: 1253.98
Cell parameters: 9.361; 8.3498; 16.7159; 90; 106.31; 90;

COD ID: 1550463
CIF file	Formula: - Cu Mg O5 V - Comments: 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 127 (2019) 50-55 Space group: C m c m Cell volume: 317.13 Cell parameters: 5.7716; 8.7145; 6.3052; 90; 90; 90;

COD ID: 1550464
CIF file	Formula: - Ag Mg O5 V - Comments: 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 127 (2019) 50-55 Space group: P n m a Cell volume: 345.964 Cell parameters: 9.5314; 6.7696; 5.3618; 90; 90; 90;

COD ID: 1550747

CIF file

Formula: - Al4.78 Na0.78 O12 Ti2.22 -
Comments: 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 127 (2019) 150-157
Space group: P b a m
Cell volume: 410.61
Cell parameters: 9.0676; 15.524; 2.917; 90; 90; 90;

COD ID: 1550748
CIF file	Formula: - F0.2326 K0.8464 La9.113 O25.7674 Si5.895 - Comments: 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 127 (2019) 143-149 Space group: P 63/m Cell volume: 590.839 Cell parameters: 9.7078; 9.7078; 7.2393; 90; 90; 120;

COD ID: 1551021
CIF file	Formula: - Nd3 O7 Ta - Comments: 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 127 (2019) 273-278 Space group: C 2 2 21 Cell volume: 632.77 Cell parameters: 10.825; 7.6099; 7.6814; 90; 90; 90;

COD ID: 1551022
CIF file	Formula: - Nd3 O7 Ta - Comments: 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 127 (2019) 273-278 Space group: P n m a Cell volume: 630.59 Cell parameters: 7.6508; 10.9308; 7.5403; 90; 90; 90;

COD ID: 1551023
CIF file	Formula: - Nd3 O7 Ta - Comments: 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 127 (2019) 273-278 Space group: P n m a Cell volume: 626.6 Cell parameters: 7.661; 10.9041; 7.5009; 90; 90; 90;

COD ID: 1551024
CIF file	Formula: - Eu0.9 O7 Sm2.1 Ta - Comments: 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 127 (2019) 273-278 Space group: P n m a Cell volume: 628.52 Cell parameters: 7.6425; 10.8825; 7.5571; 90; 90; 90;

COD ID: 1552152
CIF file	Formula: - La3 Li6.2 O12 Ta0.8 Zr1.2 - Comments: 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 127 (2019) 521-526 Space group: I a -3 d Cell volume: 2150.24 Cell parameters: 12.9071; 12.9071; 12.9071; 90; 90; 90;

COD ID: 1552153
CIF file	Formula: - La3 Li6.5 O12 Ta0.5 Zr1.5 - Comments: 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 127 (2019) 521-526 Space group: I a -3 d Cell volume: 2157.49 Cell parameters: 12.9216; 12.9216; 12.9216; 90; 90; 90;

COD ID: 1552154
CIF file	Formula: - La3 Li6.8 O12 Ta0.2 Zr1.8 - Comments: 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 127 (2019) 521-526 Space group: I a -3 d Cell volume: 2169.13 Cell parameters: 12.9448; 12.9448; 12.9448; 90; 90; 90;

COD ID: 1552155
CIF file	Formula: - La3 Li6.6 O12 Ta0.4 Zr1.6 - Comments: 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 127 (2019) 521-526 Space group: I a -3 d Cell volume: 2165.46 Cell parameters: 12.9375; 12.9375; 12.9375; 90; 90; 90;

COD ID: 1552156
CIF file	Formula: - La3 Li6.4 O12 Ta0.6 Zr1.4 - Comments: 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 127 (2019) 521-526 Space group: I a -3 d Cell volume: 2151.74 Cell parameters: 12.9101; 12.9101; 12.9101; 90; 90; 90;

COD ID: 1552367

CIF file

Formula: - Cu0.6 Ni0.4 O4 Pr2 -
Comments: 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 127 (2019) 678-687
Space group: F m m m
Cell volume: 370.2
Cell parameters: 5.429; 5.42; 12.582; 90; 90; 90;

COD ID: 1552368

CIF file

Formula: - Cu O4 Pr2 -
Comments: 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 127 (2019) 678-687
Space group: I 4/m m m
Cell volume: 192.1
Cell parameters: 3.962; 3.962; 12.238; 90; 90; 90;

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

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

COD ID: 4060002
CIF file	Formula: - C28 H18 F4 N6 Pt2 - Comments: Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society 127 (2005) 28-29 Space group: P -1 Cell volume: 1272.2 Cell parameters: 9.081; 12.134; 13.362; 73.149; 71.641; 68.191;

COD ID: 4060003

CIF file

Formula: - C32 H26 F4 N6 Pt2 -
Comments: Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society 127 (2005) 28-29
Space group: P -1
Cell volume: 1495.6
Cell parameters: 10.157; 10.574; 15.057; 103.412; 100.633; 101.514;

COD ID: 4060004
CIF file	Formula: - C38 H38 F4 N6 Pt2 - Comments: Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society 127 (2005) 28-29 Space group: P 1 21/n 1 Cell volume: 3558.9 Cell parameters: 10.0382; 20.024; 17.864; 90; 97.633; 90;

COD ID: 4060005
CIF file	Formula: - C44 H50 F4 N6 Pt2 - Comments: Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society 127 (2005) 28-29 Space group: P 1 21/n 1 Cell volume: 4088.7 Cell parameters: 18.549; 10.512; 21.43; 90; 101.912; 90;

COD ID: 4060006

CIF file

Formula: - C21 H22 B F2 N5 Pt -
Comments: Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society 127 (2005) 28-29
Space group: P -1
Cell volume: 1028.37
Cell parameters: 8.5663; 9.4344; 12.8913; 90.838; 95.492; 97.262;

COD ID: 4060007

CIF file

Formula: - C17 H21 F6 N3 S -
Comments: Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society 127 (2005) 119-125
Space group: P c c n
Cell volume: 3818.5
Cell parameters: 17.8302; 23.4425; 9.1356; 90; 90; 90;

COD ID: 4060008

CIF file

Formula: - C16 H19 N O5 -
Comments: Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society 127 (2005) 119-125
Space group: P 1 21 1
Cell volume: 760
Cell parameters: 8.34; 11.15; 8.538; 90; 106.8; 90;

COD ID: 4060009

CIF file

Formula: - C20 H19 N O5 -
Comments: Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society 127 (2005) 119-125
Space group: P 1 21 1
Cell volume: 3511
Cell parameters: 11.367; 11.559; 26.73; 90; 90.02; 90;

COD ID: 4060010

CIF file

Formula: - C21 H19 Br Cl3 N O5 -
Comments: Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society 127 (2005) 119-125
Space group: P 21 21 21
Cell volume: 2228
Cell parameters: 8.509; 11.225; 23.33; 90; 90; 90;

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

COD ID: 4060012
CIF file	Formula: - C34 H16 B2 F24 O4 - Comments: Stewart P. Lewis; Lee D. Henderson; Brett D. Chandler; Masood Parvez; Warren E. Piers; Scott Collins Aqueous Suspension Polymerization of Isobutene Initiated by 1,2-C6F4[B(C6F5)2]2 Journal of the American Chemical Society 127 (2005) 46-47 Space group: P -1 Cell volume: 1798.1 Cell parameters: 9.796; 12.566; 15.497; 71.611; 86.79; 83.47;

COD ID: 4060013
CIF file	Formula: - C24 H27 N O6 - Comments: Jian Huang; Richard P. Hsung Chiral Lewis Acid-Catalyzed Highly Enantioselective [4 + 3] Cycloaddition Reactions of Nitrogen-Stabilized Oxyallyl Cations Derived from Allenamides Journal of the American Chemical Society 127 (2005) 50-51 Space group: P 1 21 1 Cell volume: 1081 Cell parameters: 11.615; 6.6412; 14.076; 90; 95.389; 90;

COD ID: 4060014

CIF file

Formula: - C34 H59 Ce -
Comments: Laurent Maron; Evan L. Werkema; Lionel Perrin; Odile Eisenstein; Richard A. Andersen Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies Journal of the American Chemical Society 127 (2005) 279-292
Space group: P 1 21/n 1
Cell volume: 3235.5
Cell parameters: 9.2454; 34.141; 10.872; 90; 109.476; 90;

COD ID: 4060015

CIF file

Formula: - C40 H58 Ce F5 -
Comments: Maron, Laurent; Werkema, Evan L.; Perrin, Lionel; Eisenstein, Odile; Andersen, Richard A. Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies Journal of the American Chemical Society 127 (2005) 279-292
Space group: P -1
Cell volume: 1871.7
Cell parameters: 10.14; 12.213; 15.632; 85.86; 81.146; 78.336;

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

COD ID: 4060017

CIF file

Formula: - C10.17 H11 Cl0.25 N O P2 -
Comments: Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V. Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^ Journal of the American Chemical Society 127(1) (2005) 331-336
Space group: R -3 :H
Cell volume: 5687.2
Cell parameters: 21.5254; 21.5254; 14.173; 90; 90; 120;

COD ID: 4060018
CIF file	Formula: - C14 H15 N O5 P2 W - Comments: Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V. Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^ Journal of the American Chemical Society 127(1) (2005) 331-336 Space group: P b c a Cell volume: 3469.3 Cell parameters: 8.6521; 17.2931; 23.187; 90; 90; 90;

COD ID: 4060019
CIF file	Formula: - C13 H15 Br N O4 P2 Re - Comments: Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V. Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^ Journal of the American Chemical Society 127(1) (2005) 331-336 Space group: P 21 21 21 Cell volume: 1761.5 Cell parameters: 6.5297; 13.6202; 19.8064; 90; 90; 90;

COD ID: 4060020
CIF file	Formula: - Gd5 Ge1.95 Si2.05 - Comments: Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller On the High-Temperature Phase Transition of Gd5Si2Ge2 Journal of the American Chemical Society 127 (2005) 317-324 Space group: P n m a Cell volume: 875.9 Cell parameters: 7.5359; 14.847; 7.8287; 90; 90; 90;

COD ID: 4060021
CIF file	Formula: - Gd5 Ge1.99 Si2.02 - Comments: Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller On the High-Temperature Phase Transition of Gd5Si2Ge2 Journal of the American Chemical Society 127 (2005) 317-324 Space group: P 1 1 21/a Cell volume: 873.26 Cell parameters: 7.5856; 14.81; 7.7855; 90; 90; 93.223;

COD ID: 4100037

CIF file

Formula: - C17 H13 F3 O5 S -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P -1
Cell volume: 846.6
Cell parameters: 8.546; 9.43; 11.165; 73.016; 82.571; 81.014;

COD ID: 4100038

CIF file

Formula: - C20 H23 O6 P -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P 21 21 21
Cell volume: 1954.2
Cell parameters: 10.033; 11.953; 16.295; 90; 90; 90;

COD ID: 4100039

CIF file

Formula: - C15 H12 Br2 O -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P n m a
Cell volume: 1301.7
Cell parameters: 7.334; 19.543; 9.082; 90; 90; 90;

COD ID: 4100040

CIF file

Formula: - C29 H31 F6 K O8 -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P b c a
Cell volume: 6289.4
Cell parameters: 13.91; 19.228; 23.515; 90; 90; 90;

COD ID: 4100041

CIF file

Formula: - C24 H23 B N2 O2 -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P 1 21/n 1
Cell volume: 2004.1
Cell parameters: 16.378; 7.467; 16.966; 90; 105.007; 90;

COD ID: 4100042

CIF file

Formula: - C20 H25 B N2 -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P 1 21/n 1
Cell volume: 1759.04
Cell parameters: 10.726; 12.542; 13.08; 90; 91.437; 90;

COD ID: 4100043

CIF file

Formula: - C18 H19 B Cl2 N2 -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P 1 21/n 1
Cell volume: 1719
Cell parameters: 12.777; 12.551; 10.72; 90; 90.546; 90;

COD ID: 4100044

CIF file

Formula: - C22 H17 B O4 -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P 1 21/a 1
Cell volume: 1724.21
Cell parameters: 11.962; 7.228; 20.281; 90; 100.49; 90;

COD ID: 4100045

CIF file

Formula: - C23 H19 B O5 -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P c a 21
Cell volume: 1985.7
Cell parameters: 9.867; 14.292; 14.081; 90; 90; 90;

COD ID: 4100046

CIF file

Formula: - C22 H17 B O2 S2 -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P n m a
Cell volume: 1939.4
Cell parameters: 8.493; 14.313; 15.954; 90; 90; 90;

COD ID: 4100047

CIF file

Formula: - C18 H19 B O4 -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P 1 21/n 1
Cell volume: 5020.7
Cell parameters: 18.729; 13.177; 21.8; 90; 111.059; 90;

COD ID: 4100048

CIF file

Formula: - C16 H13 B F2 O2 -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P n a 21
Cell volume: 2704.4
Cell parameters: 12.187; 6.823; 32.524; 90; 90; 90;

COD ID: 4100049

CIF file

Formula: - C16 H13 B Cl2 O2 -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P m n 21
Cell volume: 714.55
Cell parameters: 6.95; 9.08; 11.323; 90; 90; 90;

COD ID: 4100050

CIF file

Formula: - C16 H14 O2 -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P 1 21/c 1
Cell volume: 1221.3
Cell parameters: 6.642; 12.169; 15.118; 90; 91.913; 90;

COD ID: 4100051

CIF file

Formula: - C14 H7 Br3 -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P 1 21/c 1
Cell volume: 1227.48
Cell parameters: 10.153; 7.248; 17.358; 90; 106.064; 90;

COD ID: 4100052

CIF file

Formula: - C17 H13 N O2 -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: I 41/a :2
Cell volume: 5255.8
Cell parameters: 25.057; 25.057; 8.371; 90; 90; 90;

COD ID: 4100053

CIF file

Formula: - C19 H20 B2 F7 O4 -
Comments: Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation Journal of the American Chemical Society 127(12) (2005) 4354-4371
Space group: P 1 21/c 1
Cell volume: 2064.2
Cell parameters: 10.981; 14.701; 13.43; 90; 107.81; 90;

COD ID: 4100092

CIF file

Formula: - C40 H52 N4 Ni -
Comments: Song, Yujiang; Haddad, Raid E.; Jia, Song-Ling; Hok, Saphon; Olmstead, Marilyn M.; Nurco, Daniel J.; Schore, Neal E.; Zhang, Jun; Ma, Jian-Guo; Smith, Kevin M.; Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude; Medforth, Craig J.; Shelnutt, John A. Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins Journal of the American Chemical Society 127(4) (2005) 1179-1192
Space group: P -1
Cell volume: 6677.7
Cell parameters: 16.812; 20.01; 21.378; 94.557; 97.004; 109.382;

COD ID: 4100093

CIF file

Formula: - C40 H52 N4 Ni -
Comments: Song, Yujiang; Haddad, Raid E.; Jia, Song-Ling; Hok, Saphon; Olmstead, Marilyn M.; Nurco, Daniel J.; Schore, Neal E.; Zhang, Jun; Ma, Jian-Guo; Smith, Kevin M.; Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude; Medforth, Craig J.; Shelnutt, John A. Energetics and Structural Consequences of Axial Ligand Coordination in Nonplanar Nickel Porphyrins Journal of the American Chemical Society 127(4) (2005) 1179-1192
Space group: P -1
Cell volume: 1678.3
Cell parameters: 8.4141; 13.293; 15.281; 82.965; 81.68; 88.189;

COD ID: 4100124

CIF file

Formula: ?
Comments: 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 127(16) (2005) 5893-5901
Space group: P 1 21/n 1
Cell volume: 3085.2
Cell parameters: 14.459; 11.522; 19.651; 90; 109.542; 90;

COD ID: 4100125

CIF file

Formula: ?
Comments: 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 127(16) (2005) 5893-5901
Space group: P b c n
Cell volume: 2992.9
Cell parameters: 11.89; 14.086; 17.87; 90; 90; 90;

COD ID: 4100126

CIF file

Formula: ?
Comments: 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 127(16) (2005) 5893-5901
Space group: P -1
Cell volume: 3109.6
Cell parameters: 11.514; 15.328; 18.531; 78.168; 78.935; 79.867;

COD ID: 4100127

CIF file

Formula: ?
Comments: 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 127(16) (2005) 5893-5901
Space group: P -1
Cell volume: 1507.1
Cell parameters: 11.335; 11.064; 13.066; 101.128; 102.83; 102.734;

COD ID: 4100128

CIF file

Formula: - C35 H31 Cl O8 -
Comments: 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 127(16) (2005) 5893-5901
Space group: C 1 2/c 1
Cell volume: 3146.2
Cell parameters: 15.062; 20.078; 11.413; 90; 114.277; 90;

COD ID: 4100129

CIF file

Formula: - C29 F8 O4 P -
Comments: 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 127(16) (2005) 5893-5901
Space group: P b c n
Cell volume: 3289.7
Cell parameters: 12.73; 14.609; 17.689; 90; 90; 90;

COD ID: 4100130

CIF file

Formula: - C37 H35 F6 O6 P -
Comments: 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 127(16) (2005) 5893-5901
Space group: P 1 21/n 1
Cell volume: 3524.4
Cell parameters: 13.507; 17.866; 14.609; 90; 91.321; 90;

COD ID: 4100131

CIF file

Formula: - C35 H29 Cl3 O6 -
Comments: 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 127(16) (2005) 5893-5901
Space group: P n a 21
Cell volume: 3166.9
Cell parameters: 18.461; 13.905; 12.337; 90; 90; 90;

COD ID: 4100164
CIF file	Formula: - C107 H110 N4 Pd - Comments: 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 127(20) (2005) 7294-7295 Space group: P 1 21/a 1 Cell volume: 8778 Cell parameters: 15.31; 19.927; 28.867; 90; 94.6626; 90;

COD ID: 4100165
CIF file	Formula: - C102 H102 Cl2 N4 O4 Pd - Comments: 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 127(20) (2005) 7294-7295 Space group: C 1 2/c 1 Cell volume: 8929 Cell parameters: 32.121; 13.23; 25.781; 90; 125.41; 90;

COD ID: 4100166
CIF file	Formula: - C100 H102 N4 O3 Pd - Comments: 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 127(20) (2005) 7294-7295 Space group: C 1 2/c 1 Cell volume: 16605 Cell parameters: 34.854; 17.0305; 30.778; 90; 114.649; 90;

COD ID: 4100276

CIF file

Formula: - C46 H53 Cl2 Co N3 O -
Comments: 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 127(40) (2005) 13955-13968
Space group: P 1 21 1
Cell volume: 2137.1
Cell parameters: 9.439; 25.767; 9.547; 90; 113.02; 90;

COD ID: 4100277

CIF file

Formula: - C43 H47 Cl Co N3 -
Comments: 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 127(40) (2005) 13955-13968
Space group: P 1 21/n 1
Cell volume: 3766.1
Cell parameters: 9.872; 27.669; 13.89; 90; 96.96; 90;

COD ID: 4100278

CIF file

Formula: - C33 H43 Cl Co N3 -
Comments: 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 127(40) (2005) 13955-13968
Space group: P 1 21/n 1
Cell volume: 3091.3
Cell parameters: 8.775; 22.971; 15.634; 90; 101.2; 90;

COD ID: 4100279

CIF file

Formula: - C68 H53 B Br Co F20 N4 -
Comments: 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 127(40) (2005) 13955-13968
Space group: P 1 21/c 1
Cell volume: 6334.6
Cell parameters: 20.027; 12.241; 25.895; 90; 93.75; 90;

COD ID: 4100280

CIF file

Formula: - C43 H47 N3 -
Comments: 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 127(40) (2005) 13955-13968
Space group: P 1 21/c 1
Cell volume: 3649.4
Cell parameters: 19.736; 11.967; 16.077; 90; 106.03; 90;

COD ID: 4100281

CIF file

Formula: - C46.5 H51 Cl2 Fe N3 -
Comments: 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 127(40) (2005) 13955-13968
Space group: P 1 21/c 1
Cell volume: 4206.4
Cell parameters: 13.521; 16.29; 19.298; 90; 98.26; 90;

COD ID: 4100282

CIF file

Formula: - C33 H43 N3 O2 -
Comments: 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 127(40) (2005) 13955-13968
Space group: I -4
Cell volume: 6052.7
Cell parameters: 27.0925; 27.0925; 8.2461; 90; 90; 90;

COD ID: 4100283

CIF file

Formula: - C40 H51 Cl2 Fe N3 O2 -
Comments: 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 127(40) (2005) 13955-13968
Space group: P b c a
Cell volume: 7613.3
Cell parameters: 11.5856; 18.9039; 34.762; 90; 90; 90;

COD ID: 4100284

CIF file

Formula: - C39 H55 Cl2 Co N3 O3.5 -
Comments: 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 127(40) (2005) 13955-13968
Space group: P b c n
Cell volume: 7697.6
Cell parameters: 35.52; 11.5844; 18.7071; 90; 90; 90;

COD ID: 4100285

CIF file

Formula: - C34 H46 Co N3 O2 -
Comments: 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 127(40) (2005) 13955-13968
Space group: P 1 21/n 1
Cell volume: 3192.6
Cell parameters: 11.7149; 13.5659; 20.8201; 90; 105.229; 90;

COD ID: 4100286

CIF file

Formula: - C52 H46 B Co F15 N3 O2 -
Comments: 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 127(40) (2005) 13955-13968
Space group: P 1 21/c 1
Cell volume: 4769.5
Cell parameters: 18.2816; 13.9935; 18.7573; 90; 96.312; 90;

COD ID: 4100287

CIF file

Formula: - C24 H60 O19 V6 -
Comments: 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 127(40) (2005) 13978-13987
Space group: P 1 21/n 1
Cell volume: 1937.7
Cell parameters: 10.338; 17.76; 11.002; 90; 106.408; 90;

COD ID: 4100288

CIF file

Formula: - C24 H60 O19 V6 -
Comments: 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 127(40) (2005) 13978-13987
Space group: R -3 m :H
Cell volume: 2988.2
Cell parameters: 17.5332; 17.5332; 11.224; 90; 90; 120;

COD ID: 4100289

CIF file

Formula: - C24 H60 Cl6 O19 Sb V6 -
Comments: 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 127(40) (2005) 13978-13987
Space group: P -1
Cell volume: 1167.8
Cell parameters: 10.4567; 10.5469; 10.6194; 88.751; 86.169; 88.269;

COD ID: 4100290

CIF file

Formula: - C26 H64 Cl16 O19 Sb2 V6 -
Comments: 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 127(40) (2005) 13978-13987
Space group: P -1
Cell volume: 1509.3
Cell parameters: 11.1503; 11.584; 12.829; 109.445; 102.351; 93.771;

COD ID: 4100291

CIF file

Formula: - C12 H36 O19 V6 -
Comments: 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 127(40) (2005) 13978-13987
Space group: P n a 21
Cell volume: 2837.3
Cell parameters: 20.8343; 10.083; 13.5064; 90; 90; 90;

COD ID: 4100292

CIF file

Formula: - C12 H36 Cl6 O19 Sb V6 -
Comments: 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 127(40) (2005) 13978-13987
Space group: R -3 :H
Cell volume: 2823.8
Cell parameters: 13.943; 13.943; 16.773; 90; 90; 120;

COD ID: 4100296

CIF file

Formula: - C64 H60 Er4 Hg2 N8 Se10 -
Comments: 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 127 (2005) 14008-14014
Space group: P 1 21/c 1
Cell volume: 3568.8
Cell parameters: 12.9478; 17.5133; 16.9599; 90; 111.879; 90;

COD ID: 4100297
CIF file	Formula: - C58 H59 Cl0.5 Cr0.5 N5 O3 P2 - Comments: 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 127 (2005) 14026-14038 Space group: P 1 21/c 1 Cell volume: 10425 Cell parameters: 27.264; 21.61; 17.695; 90; 90.546; 90;

COD ID: 4100298
CIF file	Formula: - C40 H40 Cr N7 O2 - Comments: 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 127 (2005) 14026-14038 Space group: P 1 21 1 Cell volume: 2810.3 Cell parameters: 14.41; 11.391; 17.611; 90; 103.542; 90;

COD ID: 4100306

CIF file

HKL data

Formula: - Cu2 La4 Mo O12 Zn -
Comments: 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 127(40) (2005) 14094-14099
Space group: P -1
Cell volume: 600.46
Cell parameters: 11.7114; 11.7098; 7.9329; 80.255; 99.759; 39.5969;

COD ID: 4100348

CIF file

Formula: - C62 H64 Cl4 N4 -
Comments: 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 127(42) (2005) 14540-14541
Space group: C 1 2/c 1
Cell volume: 5308
Cell parameters: 28.0983; 12.0933; 19.9538; 90; 128.477; 90;

COD ID: 4100349

CIF file

Formula: - C64 H74 N4 O2 -
Comments: 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 127(42) (2005) 14540-14541
Space group: P -1
Cell volume: 2726.5
Cell parameters: 13.1254; 13.804; 16.7037; 103.853; 96.6651; 108.434;

COD ID: 4100350

CIF file

Formula: - C76 H94 N4 O -
Comments: 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 127(42) (2005) 14540-14541
Space group: I 41/a :2
Cell volume: 8424
Cell parameters: 18.048; 18.048; 25.862; 90; 90; 90;

COD ID: 4100364
CIF file	Formula: - C24 H48 N8 Na2 - Comments: 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 127 (2005) 12416-12422 Space group: P c c n Cell volume: 3087.8 Cell parameters: 11.074; 14.812; 18.825; 90; 90; 90;

COD ID: 4100365
CIF file	Formula: - C24 H48 N8 Na - Comments: 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 127 (2005) 12416-12422 Space group: P c c n Cell volume: 2909.1 Cell parameters: 10.703; 14.608; 18.606; 90; 90; 90;

COD ID: 4100531

CIF file

Formula: - C21 H33 Au3 F6 N3 P S -
Comments: 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 127(31) (2005) 10838-10839
Space group: C m c 21
Cell volume: 5611
Cell parameters: 14.636; 25.02; 15.322; 90; 90; 90;

COD ID: 4100532

CIF file

Formula: - C24 H39 Au3 F6 N3 S Sb -
Comments: 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 127(31) (2005) 10838-10839
Space group: C m c 21
Cell volume: 6430.7
Cell parameters: 15.1136; 26.613; 15.988; 90; 90; 90;

COD ID: 4100533

CIF file

Formula: - C24 H39 Au3 F6 N3 S Sb -
Comments: 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 127(31) (2005) 10838-10839
Space group: P 1 21 1
Cell volume: 6231
Cell parameters: 14.9353; 15.7717; 26.457; 90; 91.1412; 90;

COD ID: 4100545
CIF file	Formula: - C44 H32 Cl2 Ni P2 - Comments: Evans, David A.; Thomson, Regan J. Ni(II) Tol-BINAP-Catalyzed Enantioselective Orthoester Alkylations of N-Acylthiazolidinethiones Journal of the American Chemical Society 127(30) (2005) 10506-10507 Space group: P 43 21 2 Cell volume: 3578.5 Cell parameters: 11.647; 11.647; 26.381; 90; 90; 90;

COD ID: 4100568
CIF file	Formula: - C14 H24 F2 Ir P - Comments: 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 127 (2005) 15020-15021 Space group: P n m a Cell volume: 1607.6 Cell parameters: 16.115; 11.761; 8.482; 90; 90; 90;

COD ID: 4100569

CIF file

Formula: - C15 H24 F4 Ir P -
Comments: 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 127 (2005) 15020-15021
Space group: P -1
Cell volume: 3484.2
Cell parameters: 12.6958; 17.033; 17.415; 109.33; 100.572; 90.329;

COD ID: 4100642

CIF file

Formula: - C36 H29 N3 O6 U -
Comments: 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 127(11) (2005) 3831-3837
Space group: P n a m
Cell volume: 2986.76
Cell parameters: 9.6034; 13.323; 23.3439; 90; 90; 90;

COD ID: 4100643

CIF file

Formula: - C59 H52 Cl Cs N6 O12 U2 -
Comments: 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 127(11) (2005) 3831-3837
Space group: C 1 2/c 1
Cell volume: 11596.6
Cell parameters: 32.4597; 15.9145; 26.1849; 90; 120.983; 90;

COD ID: 4100644

CIF file

Formula: - C38 H32 Cs F N4 O6 U -
Comments: 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 127(11) (2005) 3831-3837
Space group: P 1 21/n 1
Cell volume: 3639.9
Cell parameters: 16.3779; 13.9653; 16.6928; 90; 107.568; 90;

COD ID: 4100645

CIF file

Formula: - C38 H32 Cl Cs N4 O6 U -
Comments: 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 127(11) (2005) 3831-3837
Space group: P -1
Cell volume: 1899.66
Cell parameters: 12.0338; 12.362; 14.5835; 108.135; 97.069; 108.179;

COD ID: 4100646

CIF file

Formula: - C70 H60 Cl K N4 O14 U2 -
Comments: 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 127(11) (2005) 3831-3837
Space group: P -1
Cell volume: 3161.7
Cell parameters: 14.3905; 15.2086; 15.5041; 93.2582; 107.142; 100.843;

COD ID: 4100647

CIF file

Formula: - C38 H32.5 Cl N4 O6.25 Rb U -
Comments: 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 127(11) (2005) 3831-3837
Space group: P -1
Cell volume: 1863.44
Cell parameters: 11.8754; 12.2205; 14.6154; 107.79; 96.735; 108.296;

COD ID: 4100648

CIF file

Formula: - C43 H37 Cl3 N4 O11 U2 -
Comments: 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 127(11) (2005) 3831-3837
Space group: P -1
Cell volume: 2278.26
Cell parameters: 12.5316; 13.5637; 13.9037; 99.611; 101.62; 91.385;

COD ID: 4100649

CIF file

Formula: - C22 H17 N3 O4 U -
Comments: 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 127(11) (2005) 3831-3837
Space group: C c m 21
Cell volume: 2012.09
Cell parameters: 12.5727; 16.8834; 9.4789; 90; 90; 90;

COD ID: 4100664

CIF file

Formula: - C158 H134 Cl6 N6 O18 -
Comments: 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 127(11) (2005) 4033-4041
Space group: P -1
Cell volume: 3378.78
Cell parameters: 12.7464; 15.0932; 18.6957; 95.3241; 95.2033; 108.001;

COD ID: 4100884
CIF file	Formula: - C71 H99.5 F9 N1.5 O20 Ru3 S3 - Comments: Fairchild, Robert M.; Holman, K. Travis Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior. Journal of the American Chemical Society 127(47) (2005) 16364-16365 Space group: P 1 21/c 1 Cell volume: 8453 Cell parameters: 16.672; 31.875; 16.47; 90; 105.04; 90;

COD ID: 4100885
CIF file	Formula: - C0.69 H0.38 F0.07 N0.03 O0.12 Ru0.02 S0.02 - Comments: Fairchild, Robert M.; Holman, K. Travis Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior. Journal of the American Chemical Society 127(47) (2005) 16364-16365 Space group: P 1 21/c 1 Cell volume: 8453 Cell parameters: 16.672; 31.875; 16.47; 90; 105.04; 90;

COD ID: 4100886
CIF file	Formula: - C142.67 H227 F36 N25.67 O63.33 Ru6 Sb6 - Comments: Fairchild, Robert M.; Holman, K. Travis Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior. Journal of the American Chemical Society 127(47) (2005) 16364-16365 Space group: R -3 :H Cell volume: 15324 Cell parameters: 19.3059; 19.3059; 47.475; 90; 90; 120;

COD ID: 4100887
CIF file	Formula: - C142.67 H227 F36 N25.67 O63.33 Ru6 Sb6 - Comments: Fairchild, Robert M.; Holman, K. Travis Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior. Journal of the American Chemical Society 127(47) (2005) 16364-16365 Space group: R -3 :H Cell volume: 15324 Cell parameters: 19.3059; 19.3059; 47.475; 90; 90; 120;

COD ID: 4100888
CIF file	Formula: - C22 H30 Cl F3 N2 O3 Ru S - Comments: 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 127(47) (2005) 16400-16401 Space group: P 1 21/n 1 Cell volume: 2494.4 Cell parameters: 16.2016; 8.6614; 17.9532; 90; 98.067; 90;

COD ID: 4100889
CIF file	Formula: - C58 H60 Cl F3 N2 O3 P2 Pd Ru S - Comments: 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 127(47) (2005) 16400-16401 Space group: P 1 21/n 1 Cell volume: 5606.5 Cell parameters: 23.064; 10.408; 24.166; 90; 104.88; 90;

COD ID: 4100941
CIF file	Formula: - C10 H10 Cu3 Mo2 N2 O10 - Comments: Shores, M. P.; Bartlett, B. M.; Nocera, D. G. Spin-Frustrated Organic-Inorganic Hybrids of Lindgrenite Journal of the American Chemical Society 127(51) (2005) 17986-17987 Space group: P -1 Cell volume: 411.82 Cell parameters: 5.5199; 5.6912; 13.456; 83.015; 85.442; 79.488;

COD ID: 4100942
CIF file	Formula: - C4 H12 Cu3 Mo2 N2 O10 - Comments: Shores, M. P.; Bartlett, B. M.; Nocera, D. G. Spin-Frustrated Organic-Inorganic Hybrids of Lindgrenite Journal of the American Chemical Society 127(51) (2005) 17986-17987 Space group: P -1 Cell volume: 299.82 Cell parameters: 5.6757; 5.7121; 9.447; 95.284; 91.557; 100.248;

COD ID: 4100943

CIF file

Formula: - C36 H56.4 Cl N24 O21.7 -
Comments: 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 127(51) (2005) 18000-18001
Space group: P 1 21 1
Cell volume: 2453.6
Cell parameters: 12.434; 16.122; 12.667; 90; 104.923; 90;

COD ID: 4100944

CIF file

Formula: - C46 H78 N28 O29 -
Comments: 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 127(51) (2005) 18000-18001
Space group: R -3 :H
Cell volume: 29255
Cell parameters: 32.2; 32.2; 32.581; 90; 90; 120;

COD ID: 4100971
CIF file	Formula: - C9 H15 F3 N2 O3 S - Comments: 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 127(48) (2005) 16792-16793 Space group: P 1 21/n 1 Cell volume: 2883.2 Cell parameters: 10.222; 12.534; 22.541; 90; 93.281; 90;

COD ID: 4100972
CIF file	Formula: - C8 H15 F6 N2 P - Comments: 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 127(48) (2005) 16792-16793 Space group: P -1 Cell volume: 610.2 Cell parameters: 8.774; 8.944; 9.032; 95.949; 114.93; 103.01;

COD ID: 4100973
CIF file	Formula: - C11 H20 F6 N2 O4 S2 - Comments: 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 127(48) (2005) 16792-16793 Space group: P 21 21 21 Cell volume: 1811.1 Cell parameters: 8.3947; 13.0106; 16.582; 90; 90; 90;

COD ID: 4100974
CIF file	Formula: - C6 H11 B F4 N2 - Comments: 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 127(48) (2005) 16792-16793 Space group: P 1 21/n 1 Cell volume: 929.68 Cell parameters: 8.7618; 9.3961; 11.4246; 90; 98.72; 90;

COD ID: 4100975
CIF file	Formula: - C13 H18 F6 N2 O4 S2 - Comments: 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 127(48) (2005) 16792-16793 Space group: P -1 Cell volume: 1966 Cell parameters: 8.7916; 12.911; 18.341; 71.969; 83.335; 88.815;

COD ID: 4100976
CIF file	Formula: - C94 H167.87 I4 N54 O54.94 - Comments: Liu, Simin; Zavalij, Peter Y.; Isaacs, Lyle Cucurbit[10]uril. Journal of the American Chemical Society 127(48) (2005) 16798-16799 Space group: P n n m Cell volume: 7302 Cell parameters: 19.476; 20.192; 18.567; 90; 90; 90;

COD ID: 4111377

CIF file

Formula: - C34 H58 Ce F -
Comments: Laurent Maron; Evan L. Werkema; Lionel Perrin; Odile Eisenstein; Richard A. Andersen Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies Journal of the American Chemical Society 127 (2005) 279-292
Space group: P 1 21/n 1
Cell volume: 3234
Cell parameters: 9.2297; 34.078; 10.9325; 90; 109.864; 90;

COD ID: 4111378

CIF file

Formula: - C26 H49 Sc Si3 -
Comments: 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 127 (2005) 643-656
Space group: P -1
Cell volume: 1515.83
Cell parameters: 9.1426; 10.4602; 17.096; 94.074; 105.507; 103.56;

COD ID: 4111379

CIF file

Formula: - C38 H37 Sc Si2 -
Comments: 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 127 (2005) 643-656
Space group: P 1 21/n 1
Cell volume: 3354.4
Cell parameters: 9.9125; 20.937; 16.232; 90; 95.289; 90;

COD ID: 4111380
CIF file	Formula: - C34 H52 O - Comments: 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 127 (2005) 510-511 Space group: P 1 21 1 Cell volume: 2901 Cell parameters: 16.2746; 9.462; 18.9247; 90; 95.45; 90;

COD ID: 4111381
CIF file	Formula: - C24 H37 N3 P Si2 Ta - Comments: 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 127 (2005) 500-501 Space group: P -1 Cell volume: 1375 Cell parameters: 11.34; 11.984; 12.27; 101.22; 111.66; 108.49;

COD ID: 4111382
CIF file	Formula: - C48 H62 N6 P2 Si4 Ta2 - Comments: 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 127 (2005) 500-501 Space group: P 1 21/n 1 Cell volume: 5303.9 Cell parameters: 11.6976; 19.494; 23.2595; 90; 90.216; 90;

COD ID: 4111383

CIF file

Formula: - C54 H61 B N2 P2 Ru -
Comments: 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 127 (2005) 516-517
Space group: P 1 21 1
Cell volume: 2437.6
Cell parameters: 14.75; 10.849; 16.712; 90; 114.29; 90;

COD ID: 4111384

CIF file

Formula: - C57 H79 F12 N3 O11 P2 -
Comments: 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 127 (2005) 484-485
Space group: P -1
Cell volume: 3548.9
Cell parameters: 9.9809; 14.584; 25.324; 93.629; 93.227; 104.668;

COD ID: 4111385
CIF file	Formula: - C32 H20 O8 Re2 Sn2 - Comments: 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 127 (2005) 488-489 Space group: P -1 Cell volume: 1639.25 Cell parameters: 9.5962; 12.6495; 14.5038; 104.342; 90.559; 105.38;

COD ID: 4111386
CIF file	Formula: - C56 H74 O8 P2 Pd2 Re2 Sn2 - Comments: 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 127 (2005) 488-489 Space group: P -1 Cell volume: 1547.82 Cell parameters: 10.8119; 12.4429; 12.9946; 80.117; 68.988; 71.927;

COD ID: 4111387

CIF file

Formula: - C116.35 H112.7 B Cl0.7 Cu F4 N12 O2 -
Comments: 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 127 (2005) 490-491
Space group: P 1 2/n 1
Cell volume: 9973
Cell parameters: 26.157; 15.602; 27.03; 90; 115.301; 90;

COD ID: 4111388

CIF file

Formula: - C84 H80 B Cl2 Cu F4 N4 -
Comments: 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 127 (2005) 490-491
Space group: P 1 21/c 1
Cell volume: 7309
Cell parameters: 14.242; 19.819; 25.943; 90; 93.533; 90;

COD ID: 4111389

CIF file

Formula: - C17 H17 N O4 -
Comments: 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 127 (2005) 605-613
Space group: P 1 21/c 1
Cell volume: 1498.25
Cell parameters: 7.9051; 10.8742; 17.6443; 90; 98.954; 90;

COD ID: 4111390

CIF file

Formula: - C19 H19 N O4 S -
Comments: 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 127 (2005) 605-613
Space group: P n a 21
Cell volume: 3443.6
Cell parameters: 10.6133; 11.0274; 29.423; 90; 90; 90;

COD ID: 4111391

CIF file

Formula: - C13 H15 N O3 -
Comments: 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 127 (2005) 605-613
Space group: P n a 21
Cell volume: 1195.8
Cell parameters: 8.0072; 21.705; 6.8803; 90; 90; 90;

COD ID: 4111392

CIF file

Formula: - C15 H11 N O3 -
Comments: 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 127 (2005) 605-613
Space group: P 1 21/n 1
Cell volume: 1181.69
Cell parameters: 9.9267; 6.2157; 19.2178; 90; 94.75; 90;

COD ID: 4111393

CIF file

Formula: - C17 H18 N2 O2 -
Comments: 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 127 (2005) 605-613
Space group: P -1
Cell volume: 727.23
Cell parameters: 5.5895; 11.4355; 12.0083; 72.662; 85.015; 83.838;

COD ID: 4111394
CIF file	Formula: - C48 H26 N4 Zn - Comments: 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 127 (2005) 478-479 Space group: P n a 21 Cell volume: 3206.8 Cell parameters: 7.1219; 20.2661; 22.218; 90; 90; 90;

COD ID: 4111395
CIF file	Formula: - C60 H38 N4 - Comments: 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 127 (2005) 478-479 Space group: C 1 2/c 1 Cell volume: 4368 Cell parameters: 13.021; 18.238; 19.036; 90; 104.93; 90;

COD ID: 4111396
CIF file	Formula: - C33 H46 O21 - Comments: 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 127 (2005) 554-558 Space group: P 1 21 1 Cell volume: 1980.4 Cell parameters: 8.841; 17.598; 12.876; 90; 98.67; 90;

COD ID: 4111397
CIF file	Formula: - C13 H32 Br2 N2 O2 - Comments: 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 127 (2005) 593-604 Space group: P 1 Cell volume: 466.7 Cell parameters: 6.8915; 7.0243; 10.7781; 103.58; 93.139; 111.337;

COD ID: 4111398
CIF file	Formula: - C11 H18 Br2 N4 - Comments: 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 127 (2005) 593-604 Space group: P -1 Cell volume: 734.48 Cell parameters: 5.0921; 11.1143; 13.5598; 76.565; 80.455; 84.162;

COD ID: 4111399
CIF file	Formula: - C13 H28 Br2 N2 - Comments: 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 127 (2005) 593-604 Space group: P b c a Cell volume: 10108 Cell parameters: 21.367; 19.888; 23.787; 90; 90; 90;

COD ID: 4111400

CIF file

Formula: - C30 H34 Ca Cl2 N4 O20 Zn2 -
Comments: 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 127 (2005) 540-541
Space group: C 1 2/c 1
Cell volume: 3819
Cell parameters: 10.824; 15.726; 22.462; 90; 92.693; 90;

COD ID: 4111401
CIF file	Formula: - C43.5 H61 B Br Fe2 O2 P Pd - Comments: Holger Braunschweig; Krzysztof Radacki; Daniela Rais; Fabian Seeler; Katharina Uttinger Heterodinuclear Bridged Borylene Complexes Journal of the American Chemical Society 127 (2005) 1386-1387 Space group: P -1 Cell volume: 2115.7 Cell parameters: 10.5992; 12.4799; 16.162; 96.715; 92.452; 93.815;

COD ID: 4111402
CIF file	Formula: - C H K N2 O2 - Comments: Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding Journal of the American Chemical Society 127 (2005) 1360-1361 Space group: I -4 2 d Cell volume: 800.19 Cell parameters: 9.2329; 9.2329; 9.3868; 90; 90; 90;

COD ID: 4111403
CIF file	Formula: - C13 H25 K N2 O8 - Comments: Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding Journal of the American Chemical Society 127 (2005) 1360-1361 Space group: P 1 c 1 Cell volume: 919.3 Cell parameters: 8.2137; 14.215; 7.9909; 90; 99.816; 90;

COD ID: 4111404
CIF file	Formula: - C H Cs N2 O2 - Comments: Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding Journal of the American Chemical Society 127 (2005) 1360-1361 Space group: P 1 21/c 1 Cell volume: 462.14 Cell parameters: 4.6921; 12.7144; 7.849; 90; 99.2655; 90;

COD ID: 4111405
CIF file	Formula: - C53 H40 O3 - Comments: 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 127 (2005) 1336-1337 Space group: P 21 21 21 Cell volume: 3853.9 Cell parameters: 10.3095; 10.4553; 35.754; 90; 90; 90;

COD ID: 4111406
CIF file	Formula: - C28 H41 N O Th - Comments: 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 127 (2005) 1338-1339 Space group: P 1 21/n 1 Cell volume: 2591.9 Cell parameters: 12.379; 15.315; 13.674; 90; 91.05; 90;

COD ID: 4111407
CIF file	Formula: - C34 H45 N O Th - Comments: 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 127 (2005) 1338-1339 Space group: P 1 21 1 Cell volume: 1502.2 Cell parameters: 9.812; 15.279; 10.093; 90; 96.897; 90;

COD ID: 4111408
CIF file	Formula: - C32 H41 N O U - Comments: 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 127 (2005) 1338-1339 Space group: P 1 21/n 1 Cell volume: 2781.9 Cell parameters: 10.4834; 23.4188; 11.3589; 90; 94.019; 90;

COD ID: 4111409
CIF file	Formula: - C32 H41 N O Th - Comments: 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 127 (2005) 1338-1339 Space group: P 1 21/n 1 Cell volume: 2788.43 Cell parameters: 10.4583; 23.2441; 11.4942; 90; 93.672; 90;

COD ID: 4111410

CIF file

Formula: - C26 H32 N2 O12 Zn3 -
Comments: 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 127 (2005) 1504-1518
Space group: P 1 21/n 1
Cell volume: 4404.2
Cell parameters: 17.664; 14.848; 18.129; 90; 112.14; 90;

COD ID: 4111411

CIF file

Formula: - C24 H28 Co N2 O7 -
Comments: 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 127 (2005) 1504-1518
Space group: C 1 2/c 1
Cell volume: 2260.3
Cell parameters: 29.6774; 9.6295; 7.9812; 90; 97.69; 90;

COD ID: 4111412

CIF file

Formula: - C46 H43 Cd2 N O10 -
Comments: 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 127 (2005) 1504-1518
Space group: P -1
Cell volume: 1959.5
Cell parameters: 10.1023; 14.412; 14.9635; 70.59; 72.752; 87.142;

COD ID: 4111413

CIF file

Formula: - C33 H30 N2 O10 Tb -
Comments: 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 127 (2005) 1504-1518
Space group: P -1
Cell volume: 1529.29
Cell parameters: 9.8294; 12.1098; 14.6279; 109.75; 103.613; 100.14;

COD ID: 4111414

CIF file

Formula: - C12 H16 O6 Pb -
Comments: 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 127 (2005) 1504-1518
Space group: P 1 21/n 1
Cell volume: 1462.42
Cell parameters: 8.3639; 17.9914; 9.9617; 90; 102.687; 90;

COD ID: 4111415

CIF file

Formula: - C2.75 H Co0.25 N0.25 O1.25 -
Comments: 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 127 (2005) 1504-1518
Space group: I m m a
Cell volume: 1231.65
Cell parameters: 19.2301; 7.2386; 8.8481; 90; 90; 90;

COD ID: 4111416

CIF file

Formula: - C18 H8 Cd1.5 N O8 -
Comments: 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 127 (2005) 1504-1518
Space group: C 1 2/c 1
Cell volume: 3654.2
Cell parameters: 13.686; 18.252; 14.906; 90; 101.07; 90;

COD ID: 4111417

CIF file

Formula: - C17 H17 Mn1.5 N O7 -
Comments: 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 127 (2005) 1504-1518
Space group: C 1 2/c 1
Cell volume: 3504.1
Cell parameters: 24.7821; 10.5842; 17.4219; 90; 129.932; 90;

COD ID: 4111418

CIF file

Formula: - C14 H20 N2 O10 Zn2 -
Comments: 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 127 (2005) 1504-1518
Space group: R -3 :H
Cell volume: 3981.5
Cell parameters: 25.9322; 25.9322; 6.8365; 90; 90; 120;

COD ID: 4111419

CIF file

Formula: - C12 H16 N3 O9 S Tb -
Comments: 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 127 (2005) 1504-1518
Space group: P 1 21/n 1
Cell volume: 1788.3
Cell parameters: 10.6926; 10.6727; 15.7533; 90; 95.865; 90;

COD ID: 4111420

CIF file

Formula: - C12 H13 N O8.5 Tb -
Comments: 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 127 (2005) 1504-1518
Space group: P 43 2 2
Cell volume: 1536.1
Cell parameters: 10.2792; 10.2792; 14.5376; 90; 90; 90;

COD ID: 4111421

CIF file

Formula: - C7 H6 O4 Zn -
Comments: 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 127 (2005) 1504-1518
Space group: I 41/a :2
Cell volume: 1342.9
Cell parameters: 7.261; 7.261; 25.471; 90; 90; 90;

COD ID: 4111422

CIF file

Formula: - C14 H46 Ga2 N4 Si4 -
Comments: 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 127 (2005) 1493-1503
Space group: P 1 21/n 1
Cell volume: 1355.8
Cell parameters: 6.7657; 16.3874; 12.2285; 90; 90.023; 90;

COD ID: 4111423

CIF file

Formula: - C24 H25 Br O5 -
Comments: 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 127 (2005) 1342-1343
Space group: P 1 21 1
Cell volume: 1105.91
Cell parameters: 6.3815; 16.4835; 10.9674; 90; 106.542; 90;

COD ID: 4111424

CIF file

Formula: - C54 H57 Cl N2 P2 Ru -
Comments: 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 127 (2005) 1870-1882
Space group: P 1
Cell volume: 2170.78
Cell parameters: 10.8185; 13.0054; 16.0637; 83.061; 77.156; 81.597;

COD ID: 4111425

CIF file

Formula: - C38 H39 Cl N2 P2 Ru -
Comments: 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 127 (2005) 1870-1882
Space group: P -1
Cell volume: 3372.4
Cell parameters: 13.3032; 14.062; 18.4444; 81.56; 81.239; 89.956;

COD ID: 4111426

CIF file

Formula: - C54 H55 N2 O2 P3 Ru -
Comments: 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 127 (2005) 1870-1882
Space group: P 1
Cell volume: 2334.82
Cell parameters: 11.0741; 13.71; 16.8074; 84.21; 82.089; 67.678;

COD ID: 4111427

CIF file

Formula: - C92 H85 N2 P4 Ru2 -
Comments: 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 127 (2005) 1870-1882
Space group: P -1
Cell volume: 3803.25
Cell parameters: 10.4107; 14.1121; 27.0744; 97.828; 97.705; 101.796;

COD ID: 4111428

CIF file

Formula: - C32 H29 Cl P2 Pt S -
Comments: 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 127 (2005) 1933-1945
Space group: P 1 21/n 1
Cell volume: 2856
Cell parameters: 11.84; 14.971; 16.114; 90; 90.842; 90;

COD ID: 4111429

CIF file

Formula: - C25 H48 N2 Pd S3 -
Comments: 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 127 (2005) 1933-1945
Space group: P 1 21/c 1
Cell volume: 2897.3
Cell parameters: 19.899; 9.5261; 15.329; 90; 94.378; 90;

COD ID: 4111430

CIF file

Formula: - C11 H24 Cl2 Fe N2 Ni S2 -
Comments: 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 127 (2005) 1933-1945
Space group: P 21 21 21
Cell volume: 1761.8
Cell parameters: 8.8102; 12.479; 16.025; 90; 90; 90;

COD ID: 4111431

CIF file

Formula: - C58 H78 Cl6 N4 Ni5 P2 S4 -
Comments: 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 127 (2005) 1933-1945
Space group: P 1 21/n 1
Cell volume: 3241.5
Cell parameters: 9.5118; 15.7143; 21.7253; 90; 93.42; 90;

COD ID: 4111432

CIF file

Formula: - C29 H39 Cl F6 N2 Ni P2 Pd S2 -
Comments: 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 127 (2005) 1933-1945
Space group: P -1
Cell volume: 1695.3
Cell parameters: 8.537; 14.338; 15.089; 98.508; 101.711; 106.176;

COD ID: 4111433

CIF file

Formula: - C29 H39 Cl F6 N2 Ni P2 Pt S2 -
Comments: 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 127 (2005) 1933-1945
Space group: P -1
Cell volume: 1700.3
Cell parameters: 8.521; 14.353; 15.153; 98.851; 101.594; 106.111;

COD ID: 4111434

CIF file

Formula: - C25 H38 F6 N2 Ni2 P2 S3 -
Comments: 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 127 (2005) 1933-1945
Space group: P -1
Cell volume: 1579.2
Cell parameters: 9.888; 10.803; 15.035; 95.877; 96.162; 95.472;

COD ID: 4111435

CIF file

Formula: - C25 H38 F6 N2 Ni P2 Pd S3 -
Comments: 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 127 (2005) 1933-1945
Space group: P -1
Cell volume: 1605.3
Cell parameters: 9.8976; 10.9346; 15.043; 94.906; 96.752; 94.115;

COD ID: 4111436

CIF file

Formula: - C25 H38 F6 N2 Ni P2 Pt S3 -
Comments: 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 127 (2005) 1933-1945
Space group: P -1
Cell volume: 1591
Cell parameters: 9.731; 10.97; 15.1; 94.878; 96.693; 93.495;

COD ID: 4111437

CIF file

Formula: - C44 H42 Cl2 N2 Ni O2 P2 Pt S2 -
Comments: 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 127 (2005) 1933-1945
Space group: P 21 21 21
Cell volume: 4131.9
Cell parameters: 11.4615; 14.999; 24.035; 90; 90; 90;

COD ID: 4111438

CIF file

Formula: - C83 H119.5 Fe4 N4.5 Ni O0.5 S15 -
Comments: 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 127 (2005) 1933-1945
Space group: C 1 c 1
Cell volume: 20373
Cell parameters: 21.0484; 30.319; 31.941; 90; 91.844; 90;

COD ID: 4111439

CIF file

Formula: - C160 H215 Fe8 N7 S27 -
Comments: 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 127 (2005) 1933-1945
Space group: P -1
Cell volume: 21312
Cell parameters: 23.596; 24.803; 40.915; 86.471; 80.242; 64.576;

COD ID: 4111440
CIF file	Formula: - C56 H46 O2 Si2 - Comments: Chaihong Xu; Atsushi Wakamiya; Shigehiro Yamaguchi Ladder Oligo(p-phenylenevinylene)s with Silicon and Carbon Bridges Journal of the American Chemical Society 127 (2005) 1638-1639 Space group: P 1 21/c 1 Cell volume: 2236.4 Cell parameters: 11.9103; 15.6951; 12.4372; 90; 105.863; 90;

COD ID: 4111441
CIF file	Formula: - C138 H136 Si4 - Comments: Chaihong Xu; Atsushi Wakamiya; Shigehiro Yamaguchi Ladder Oligo(p-phenylenevinylene)s with Silicon and Carbon Bridges Journal of the American Chemical Society 127 (2005) 1638-1639 Space group: P 1 21/n 1 Cell volume: 5721 Cell parameters: 10.488; 23.117; 23.601; 90; 91.0748; 90;

COD ID: 4111442

CIF file

Formula: - C32 H31 N3 O8 S -
Comments: 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 127 (2005) 1602-1603
Space group: P -1
Cell volume: 1523.5
Cell parameters: 9.3478; 12.7131; 13.9069; 97.349; 109.127; 97.243;

COD ID: 4111443

CIF file

Formula: - C81 H91 B2 Ir N6 O3 -
Comments: 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 127 (2005) 1895-1905
Space group: P -1
Cell volume: 3478.1
Cell parameters: 14.4595; 15.121; 19.5755; 86.599; 68.876; 61.576;

COD ID: 4111444

CIF file

Formula: - C23 H28 F6 Ir N4 P -
Comments: 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 127 (2005) 1895-1905
Space group: P 1 21/c 1
Cell volume: 2459.7
Cell parameters: 9.1802; 11.5828; 23.581; 90; 101.193; 90;

COD ID: 4111445

CIF file

Formula: - C23 H28 F12 Ir N4 P2 -
Comments: 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 127 (2005) 1895-1905
Space group: P 1 21/a 1
Cell volume: 2890.1
Cell parameters: 13.072; 12.454; 18.86; 90; 109.734; 90;

COD ID: 4111446

CIF file

Formula: - C22 H26 F6 Ir N4 P -
Comments: 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 127 (2005) 1895-1905
Space group: P 1 21/c 1
Cell volume: 2433.7
Cell parameters: 13.9423; 13.2295; 14.7294; 90; 116.392; 90;

COD ID: 4111447

CIF file

Formula: - C50 H61 F24 Ir2 N11 P4 -
Comments: 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 127 (2005) 1895-1905
Space group: P -1
Cell volume: 3174.7
Cell parameters: 12.1371; 14.9716; 19.096; 73.115; 80.005; 73.965;

COD ID: 4111448

CIF file

Formula: - C25 H33 F12 Ir N5 O P2 S -
Comments: 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 127 (2005) 1895-1905
Space group: P -1
Cell volume: 1709
Cell parameters: 12.5; 12.837; 13.093; 61.49; 75.105; 68.503;

COD ID: 4111449

CIF file

Formula: - C21 H24 Cl F6 Ir N4 P -
Comments: 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 127 (2005) 1895-1905
Space group: P 1 21/n 1
Cell volume: 2317.05
Cell parameters: 10.5432; 16.3409; 13.4964; 90; 94.8074; 90;

COD ID: 4111450

CIF file

Formula: - C72 H70 B2 Ir N5 O2 -
Comments: 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 127 (2005) 1895-1905
Space group: P 1 21/c 1
Cell volume: 6100.7
Cell parameters: 17.6536; 12.464; 27.7263; 90; 90.002; 90;

COD ID: 4111451

CIF file

Formula: - C26 H40 K N2 O10 -
Comments: 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 127 (2005) 1797-1809
Space group: P b c a
Cell volume: 5645
Cell parameters: 16.027; 14.913; 23.619; 90; 90; 90;

COD ID: 4111452

CIF file

Formula: - C34 H44 K N2 O14 -
Comments: 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 127 (2005) 1797-1809
Space group: P -1
Cell volume: 1736.03
Cell parameters: 12.1156; 12.8981; 12.9427; 111.682; 91.833; 110.057;

COD ID: 4111453

CIF file

Formula: - C24 H40 K N4 O10 -
Comments: 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 127 (2005) 1797-1809
Space group: P 1 21/c 1
Cell volume: 2843.5
Cell parameters: 18.232; 11.6937; 13.9494; 90; 107.036; 90;

COD ID: 4111454

CIF file

Formula: - C30 H52 K2 N2 O16 -
Comments: 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 127 (2005) 1797-1809
Space group: P 1 21/c 1
Cell volume: 3744.6
Cell parameters: 20.411; 8.3205; 22.718; 90; 103.938; 90;

COD ID: 4111455

CIF file

Formula: - C44 H64 B F3 K N O7.5 -
Comments: 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 127 (2005) 1854-1869
Space group: P -1
Cell volume: 2217.1
Cell parameters: 8.551; 10.112; 26.361; 91.776; 98.641; 99.773;

COD ID: 4111456

CIF file

Formula: - C30.5 H45.5 N3 O Pd -
Comments: 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 127 (2005) 1854-1869
Space group: P -1
Cell volume: 3112.9
Cell parameters: 13.9617; 14.0737; 17.2592; 93.22; 110.871; 98.433;

COD ID: 4111457

CIF file

Formula: - C26.22 H36.44 Cl0.44 N2 O Pd -
Comments: 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 127 (2005) 1854-1869
Space group: P b c n
Cell volume: 10675
Cell parameters: 23.574; 14.38; 31.49; 90; 90; 90;

COD ID: 4111458

CIF file

Formula: - C42 H69.5 B F3 K N2.5 O7 P Pd -
Comments: 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 127 (2005) 1854-1869
Space group: P -1
Cell volume: 4903
Cell parameters: 14.004; 16.841; 21.172; 85.573; 80.042; 88.58;

COD ID: 4111459

CIF file

Formula: - C92 H132 Cl4 N9 O3 Pd3 -
Comments: 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 127 (2005) 1854-1869
Space group: P 1 21/c 1
Cell volume: 10108.5
Cell parameters: 23.5116; 17.1359; 27.4042; 90; 113.717; 90;

COD ID: 4111460

CIF file

Formula: - C21 H24 N2 O4 -
Comments: 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 127 (2005) 1719-1725
Space group: P n m a
Cell volume: 1874.23
Cell parameters: 9.5911; 38.692; 5.0505; 90; 90; 90;

COD ID: 4111461

CIF file

Formula: - C70 H84 N16 O4 -
Comments: 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 127 (2005) 1719-1725
Space group: P 1 21/c 1
Cell volume: 3181.4
Cell parameters: 20.6093; 9.6923; 16.071; 90; 97.685; 90;

COD ID: 4111462

CIF file

Formula: - C4 H6 N4 -
Comments: 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 127 (2005) 1719-1725
Space group: C 1 2/c 1
Cell volume: 1005.54
Cell parameters: 7.8166; 14.6283; 9.1974; 90; 107.032; 90;

COD ID: 4111463
CIF file	Formula: - C55 H56 B Fe N P3 - Comments: 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 127 (2005) 1913-1923 Space group: P 1 21/n 1 Cell volume: 4547 Cell parameters: 16.4143; 14.1225; 20.7686; 90; 109.186; 90;

COD ID: 4111464
CIF file	Formula: - C51 H47 B Fe N3 P3 - Comments: 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 127 (2005) 1913-1923 Space group: P -1 Cell volume: 2128.4 Cell parameters: 13.0738; 14.2209; 14.6878; 118.227; 95.229; 111.09;

COD ID: 4111465
CIF file	Formula: - C75 H100 B Fe N2 O P3 - Comments: 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 127 (2005) 1913-1923 Space group: P -1 Cell volume: 3331.2 Cell parameters: 12.173; 14.051; 22.131; 71.61; 79.79; 68.373;

COD ID: 4111466
CIF file	Formula: - C114 H130 B2 Fe2 N Na O6 P6 - Comments: 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 127 (2005) 1913-1923 Space group: P 1 21/c 1 Cell volume: 9965.7 Cell parameters: 16.791; 13.7352; 43.299; 90; 93.653; 90;

COD ID: 4111467

CIF file

Formula: - C29 H26 Fe Ni2 Si -
Comments: 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 127 (2005) 1765-1772
Space group: P c a 21
Cell volume: 2376.92
Cell parameters: 14.277; 9.3405; 17.8241; 90; 90; 90;

COD ID: 4111468
CIF file	Formula: - C37 H39 N Zr - Comments: 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 127 (2005) 1752-1764 Space group: P b c a Cell volume: 5750.7 Cell parameters: 14.4356; 15.5402; 25.6347; 90; 90; 90;

COD ID: 4111469
CIF file	Formula: - C27 H33 N Zr - Comments: 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 127 (2005) 1752-1764 Space group: P 1 21/c 1 Cell volume: 2150 Cell parameters: 16.713; 7.98; 16.138; 90; 92.41; 90;

COD ID: 4111470

CIF file

Formula: - C36 H41 N Sn Zr -
Comments: 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 127 (2005) 1752-1764
Space group: P -1
Cell volume: 1720.12
Cell parameters: 9.1388; 13.1102; 16.0211; 66.542; 78.127; 82.211;

COD ID: 4111471
CIF file	Formula: - C31 H39 N Zr - Comments: 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 127 (2005) 1752-1764 Space group: P 1 21/c 1 Cell volume: 2583.6 Cell parameters: 9.846; 18.663; 14.673; 90; 106.62; 90;

COD ID: 4111472

CIF file

Formula: - C15.5 H33 Cl F6 Fe N4 P S -
Comments: 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 127 (2005) 1675-1689
Space group: P -3 c 1
Cell volume: 3406.3
Cell parameters: 15.037; 15.037; 17.395; 90; 90; 120;

COD ID: 4111473

CIF file

Formula: - C22 H39 F3 Fe N4 O4 S2 -
Comments: 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 127 (2005) 1675-1689
Space group: P n a 21
Cell volume: 5417.5
Cell parameters: 17.952; 16.829; 17.932; 90; 90; 90;

COD ID: 4111474

CIF file

Formula: - C15 H12 O2 -
Comments: 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 127(9) (2005) 2836-2837
Space group: P 1 21/c 1
Cell volume: 2318.6
Cell parameters: 12.061; 15.232; 12.918; 90; 102.32; 90;

COD ID: 4111475
CIF file	Formula: - C59 H50 Cl2 Os P2 - Comments: 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 127 (2005) 2856-2857 Space group: P b c a Cell volume: 9751 Cell parameters: 11.154; 24.671; 35.434; 90; 90; 90;

COD ID: 4111476
CIF file	Formula: - C61 H50 Cl4 Os P2 - Comments: 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 127 (2005) 2856-2857 Space group: P -1 Cell volume: 2807.2 Cell parameters: 12.7467; 14.0114; 17.2587; 77.178; 70.503; 78.564;

COD ID: 4111477
CIF file	Formula: - C62 H52 Cl4 Os P2 - Comments: 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 127 (2005) 2856-2857 Space group: P -1 Cell volume: 2599.4 Cell parameters: 12.5348; 13.5531; 17.753; 95.84; 100.034; 116.607;

COD ID: 4111478
CIF file	Formula: - C60 H56 Cl6 Os P2 - Comments: 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 127 (2005) 2856-2857 Space group: P -1 Cell volume: 2688.1 Cell parameters: 12.6117; 13.9967; 16.439; 76.998; 73.868; 78.661;

COD ID: 4111479

CIF file

Formula: - C30.5 H49 Cl1.5 F6 N2 O11 Pd S2 -
Comments: 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 127 (2005) 2796-2797
Space group: P 1 21/n 1
Cell volume: 4452.84
Cell parameters: 13.0714; 19.7126; 17.3751; 90; 95.9628; 90;

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