Crystallography Open Database

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1508415 CIFBa Sn3P 63/m m c7.2279; 7.2279; 5.469
90; 90; 120
247.44Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen
Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure
Crystals, 2012, 1, 104-111
1508416 CIFBa In0.2 Sn2.8P 63/m m c7.2604; 7.2604; 5.382
90; 90; 120
245.69Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen
Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure
Crystals, 2012, 1, 104-111
1508417 CIFBa Ga1.79 Sn4.21C m c m4.5383; 12.2486; 14.3747
90; 90; 90
799.06Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen
Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure
Crystals, 2012, 1, 145-162
1508418 CIFBa8 Ga14.5 Sn31.5P m -3 n11.68; 11.68; 11.68
90; 90; 90
1593.4Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen
Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure
Crystals, 2012, 1, 145-162
1508419 CIFBa8 Ga13.2 Sn32.8I -4 3 m11.5843; 11.5843; 11.5843
90; 90; 90
1554.57Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen
Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure
Crystals, 2012, 1, 145-162
1508420 CIFC24 H20 N6 Ni O8P 1 21/c 119.032; 47.979; 17.596
90; 116.066; 90
14433.3Prior, Timothy J.; Rujiwatra, Apinpus; Chimupala, Yothin
[Ni(1,10-phenanthroline)2(H2O)2](NO3)2: A Simple Coordination Complex with a Remarkably Complicated Structure that Simplifies on Heating
Crystals, 2012, 1, 178-194
1508421 CIFBa5 Cd2 O2 Sb4C 1 2/m 117.247; 4.9279; 12.24
90; 132.558; 90
766.3Darone, Gregory M.; Bobev, Svilen
Ba5Cd2Sb4O2, A New Antimonide Oxide with a Complex Structure
Crystals, 2012, 1, 206-214
1508422 CIFC14 H20 Bi I5 O5P 1 21/c 113.7685; 11.7274; 17.0023
90; 115.197; 90
2484.1Fiolka, Christoph; Richter, Mark; Pantenburg, Ingo; Mudring, Anja-Verena; Meyer, Gerd
(B15c5)BiI3(I2): Molecular Benzo-15-Crown-5‒BiI3 Complexes Bridged by Iodine Molecules to Chains
Crystals, 2012, 1, 220-228
1508423 CIFC14 H27.91 B18 Cl2.09 Co S8P -18.8565; 13.349; 14.654
106.617; 102.684; 98.963
1574.7Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A.
New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities
Crystals, 2012, 2, 43-55
1508424 CIFC14 H27.75 B18 Br0.75 Cl1.25 Co S8P -18.7106; 13.441; 14.742
106.991; 101.784; 99.504
1568.6Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A.
New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities
Crystals, 2012, 2, 43-55
1508425 CIFC36 H36.84 B18 Br1.16 Co O0.72 S32P -110.809; 16.187; 20.412
100.22; 100.43; 107.21
3252.1Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A.
New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities
Crystals, 2012, 2, 43-55
1508426 CIFC8 H18 N12P -18.7982; 8.8927; 9.7756
67.827; 86.181; 71.794
671.68Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig
1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates
Crystals, 2012, 2, 96-104
1508427 CIFC7 H15 N7P b c a5.9696; 16.7493; 19.0799
90; 90; 90
1907.73Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig
1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates
Crystals, 2012, 2, 96-104
1508428 CIFC20 H58 N16 O8P 1 21/c 112.6856; 8.82; 31.3885
90; 99.39; 90
3464.91Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig
1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates
Crystals, 2012, 2, 96-104
1508429 CIFC7 H17 N7 OP 1 21/c 18.8064; 11.1285; 10.5456
90; 102.894; 90
1007.43Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig
1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates
Crystals, 2012, 2, 96-104
1508430 CIFC H3 Ag N6C 1 2/c 118.0338; 3.601; 14.906
90; 91.94; 90
967.4Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.
Synthesis and Crystal Structures of New 5,5'-Azotetrazolates
Crystals, 2012, 2, 127-136
1508431 CIFC4 H9 N5 SP -15.9032; 7.4591; 9.2538
113.598; 98.37; 99.017
358.88Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.
Synthesis and Crystal Structures of New 5,5'-Azotetrazolates
Crystals, 2012, 2, 127-136
1508432 CIFC5 H12 N5 PP 1 21/c 15.9035; 13.388; 11.3173
90; 93.941; 90
892.4Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.
Synthesis and Crystal Structures of New 5,5'-Azotetrazolates
Crystals, 2012, 2, 127-136
1508433 CIFC4 H9 N5 O SP 1 21/n 15.2452; 14.029; 10.7735
90; 102.036; 90
775.34Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.
Synthesis and Crystal Structures of New 5,5'-Azotetrazolates
Crystals, 2012, 2, 127-136
1508434 CIFC6 H14 N6 OP -15.49; 8.4206; 10.3003
78.564; 85.796; 81.876
461.53Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.
Synthesis and Crystal Structures of New 5,5'-Azotetrazolates
Crystals, 2012, 2, 127-136
1508442 CIFAs6 Ga Na10 NbP 1 21/n 18.3243; 7.5173; 13.5465
90; 90.908; 90
847.58He, Hua; Tyson,Chauntae; Bobev, Svilen
Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6
Crystals, 2012, 2, 213-223
1508443 CIFAs6 Ga3 Na8 RbP n m a22.843; 4.7892; 16.861
90; 90; 90
1844.6He, Hua; Tyson,Chauntae; Bobev, Svilen
Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6
Crystals, 2012, 2, 213-223
1508444 CIFGa3 Na8 P6 RbP n m a22.276; 4.6947; 16.356
90; 90; 90
1710.5He, Hua; Tyson,Chauntae; Bobev, Svilen
Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6
Crystals, 2012, 2, 213-223
1508445 CIFC27 H20 N3 O0.5 S16C 1 2/c 115.7423; 13.2947; 33.81
90; 96.701; 90
7027.7Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.
Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions
Crystals, 2012, 2, 306-326
1508446 CIFC25 H18 N3 O S16C 1 2/c 115.5152; 13.2644; 33.673
90; 97.443; 90
6871.5Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.
Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions
Crystals, 2012, 2, 306-326
1508447 CIFC29 H21 N4 O2 S16P -117.3403; 20.1481; 23.9412
84.225; 69.596; 76.254
7613.6Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.
Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions
Crystals, 2012, 2, 306-326
1508448 CIFC29 H21 N4 O2 S16P -110.2496; 11.2314; 18.0649
96.525; 90.593; 115.397
1862.4Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.
Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions
Crystals, 2012, 2, 306-326
1508449 CIFC31 H24.5 Cl1.5 N4 O2 S16P -17.6688; 12.6432; 22.6204
98.43; 98.463; 106.246
2041.6Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.
Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions
Crystals, 2012, 2, 306-326
1508450 CIFC16 H5 Cl2 I N2 O2 S6P -17.0227; 12.676; 13.1732
62.169; 76.282; 78.615
1002.31Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc
Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs
Crystals, 2012, 2, 327-337
1508451 CIFC26 H11 Cl2 I4 N3 O2 S12P -17.4173; 12.9354; 21.258
79.6; 85.564; 75.854
1944.1Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc
Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs
Crystals, 2012, 2, 327-337
1508452 CIFC84 H152 N4 O32 W10P -110.7727; 11.3734; 23.982
98.566; 95.298; 116.168
2566.1Ito, Takeru; Fujimoto, Nozomu; Uchida, Sayaka; Iijima, Jun; Naruke, Haruo; Mizuno, Noritaka
Polyoxotungstate-Surfactant Layered Crystal toward Conductive Inorganic-Organic Hybrid
Crystals, 2012, 2, 362-373
1508453 CIFC16 H10 Au N4 S6 Se2P n m a42.054; 12.3735; 4.276
90; 90; 90
2225Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji
Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts
Crystals, 2012, 2, 393-412
1508454 CIFC12 H11 O4.5 Re S6 Se2P -18.532; 9.75; 13.597
94.949; 94.723; 93.783
1120Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji
Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts
Crystals, 2012, 2, 393-412
1508455 CIFC25 H22 Cl I6 S12 Se4P -17.893; 8.594; 34.646
89.481; 84.178; 77.788
2284.9Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji
Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts
Crystals, 2012, 2, 393-412
1508456 CIFC14 H12 I3 S6 Se2P -18.443; 8.859; 16.686
84.118; 89.712; 68.365
1153.3Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji
Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts
Crystals, 2012, 2, 393-412
1508457 CIFC30 H24 Cl5 N O Os S24P -17.6672; 9.8657; 17.9733
91.151; 93.636; 102.434
1324.2Zorina, Leokadiya; Simonov, Sergey; Canadell, Enric; Shibaeva, Rimma
Single-Crystal-to-Single-Crystal Transformation from delta-(BEDT-TTF)4[OsNOCl5]1.33(C6H5NO2)0.67 to beta''"-(BEDT-TTF)3[OsNOCl5]
Crystals, 2012, 2, 627-642
1508458 CIFC36 H42 N6 O8P 1 21/n 19.143; 19.352; 10.894
90; 106.286; 90
1850.2Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi
Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives
Crystals, 2012, 2, 662-668
1508459 CIFC36 H44 Cl4 N6 O8P 1 21/n 112.89; 9.7; 16.89
90; 102.92; 90
2058.3Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi
Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives
Crystals, 2012, 2, 662-668
1508460 CIFC40 H42 N6 O8P 1 21/c 112; 6.72; 24.4
90; 92.21; 90
1966.2Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi
Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives
Crystals, 2012, 2, 662-668
1508461 CIFC8 H7 N O5P -17.2831; 10.522; 11.41
83.38; 80.83; 82.02
851Fu, Xin-Ling; Li, Jiang-Sheng; Simpson, Jim
Non-Covalent Interactions in the Crystal Structure of Methyl 4-Hydroxy-3-Nitrobenzoate
Crystals, 2012, 2, 669-674
1508462 CIFC16 H12 Pd2 S20 SbC 1 2/c 114.325; 6.403; 36.893
90; 97.543; 90
3355Kato, Reizo; Hengbo, Cui
Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)
Crystals, 2012, 2, 861-874
1508463 CIFC16 H12 P Pd2 S20C 1 2/c 114.379; 6.3539; 36.496
90; 98.07; 90
3301.4Kato, Reizo; Hengbo, Cui
Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)
Crystals, 2012, 2, 861-874
1508464 CIFC16 H12 As Pd2 S20C 1 2/c 114.383; 6.3691; 36.672
90; 97.793; 90
3328.4Kato, Reizo; Hengbo, Cui
Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)
Crystals, 2012, 2, 861-874
1508465 CIFC17 H14 Pd2 S20 SbC 1 2/c 114.503; 6.3989; 37.244
90; 97.352; 90
3427.9Kato, Reizo; Hengbo, Cui
Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)
Crystals, 2012, 2, 861-874
1508466 CIFC17 H14 P Pd2 S20C 1 2/c 114.437; 6.3614; 37.243
90; 96.938; 90
3395.3Kato, Reizo; Hengbo, Cui
Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)
Crystals, 2012, 2, 861-874
1508467 CIFC17 H14 As Pd2 S20C 1 2/c 114.448; 6.3715; 37.282
90; 96.973; 90
3406.6Kato, Reizo; Hengbo, Cui
Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)
Crystals, 2012, 2, 861-874
1508468 CIFC18 H16 Pd2 S20 SbC 1 2/c 114.628; 6.4235; 37.577
90; 97.577; 90
3500Kato, Reizo; Hengbo, Cui
Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)
Crystals, 2012, 2, 861-874
1508469 CIFC18 H16 P Pd2 S20C 1 2/c 114.473; 6.3918; 37.859
90; 96.009; 90
3483Kato, Reizo; Hengbo, Cui
Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)
Crystals, 2012, 2, 861-874
1508470 CIFC18 H16 As Pd2 S20C 1 2/c 114.495; 6.4; 37.816
90; 96.388; 90
3486.3Kato, Reizo; Hengbo, Cui
Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)
Crystals, 2012, 2, 861-874
1508471 CIFC8 H10 Br3 F6 N2 PP 1 21/n 17.5434; 15.5493; 12.7552
90; 90.198; 90
1496.11Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig
Halogen Interactions in 2,4,5-Tribromoimidazolium Salts
Crystals, 2012, 2, 1017-1033

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