Crystallography Open Database

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7203103 CIFC30 H58 Hf N2 O8P -113.3247; 16.22; 17.2825
83.458; 86.262; 84.888
3690.4Milanov, A.; Bhakta, R.; Thomas, R.; Ehrhart, P.; Winter, M.; Waser, R.; Devi, A.
Mixed amide‒malonate compound of hafnium as a novel monomeric precursor for MOCVD of HfO2 thin films
Journal of Materials Chemistry, 2006, 16, 437
7203104 CIFC12 H25 N3 O3P n a 2136.062; 9.1053; 4.6794
90; 90; 90
1536.51Deindörfer, Pia; Geiger, Thomas; Schollmeyer, Dieter; Ye, Jian Hui; Zentel, Rudolf
Semicarbazides as gel forming agents for common solvents and liquid crystals
Journal of Materials Chemistry, 2006, 16, 351
7203105 CIFC42 H42 Cl3 Mn2 N15 O12C 1 2/c 119.5706; 20.7246; 14.1497
90; 118.309; 90
5052.65Karmakar, Tapan K.; Aromí, Guillem; Ghosh, Barindra K.; Usman, A.; Fun, Hoong-Kun; Mallah, Talal; Behrens, U.; Solans, Xavier; Chandra, Swapan K.
Unexpected diversity and novel features within a family of new azide-bridged MnII complexes of pyridyl/imine ligands
Journal of Materials Chemistry, 2006, 16, 278
7203106 CIFC30 H32 F12 Mn2 N14 P2P 1 21/c 19.4938; 16.1284; 12.8164
90; 94.5494; 90
1956.26Karmakar, Tapan K.; Aromí, Guillem; Ghosh, Barindra K.; Usman, A.; Fun, Hoong-Kun; Mallah, Talal; Behrens, U.; Solans, Xavier; Chandra, Swapan K.
Unexpected diversity and novel features within a family of new azide-bridged MnII complexes of pyridyl/imine ligands
Journal of Materials Chemistry, 2006, 16, 278
7203107 CIFC16 H18 Cl Mn N7 O4P b c n12.5606; 17.25; 18.1617
90; 90; 90
3935.1Karmakar, Tapan K.; Aromí, Guillem; Ghosh, Barindra K.; Usman, A.; Fun, Hoong-Kun; Mallah, Talal; Behrens, U.; Solans, Xavier; Chandra, Swapan K.
Unexpected diversity and novel features within a family of new azide-bridged MnII complexes of pyridyl/imine ligands
Journal of Materials Chemistry, 2006, 16, 278
7203110 CIFC20 H16 F6 O4 P S6C 1 2/c 116.029; 23.026; 7.003
90; 103.96; 90
2508.4Yamochi, Hideki; Hagiwara, Jun; Soeda, Masaya; Saito, Gunzi
Synthesis and charge-transfer complexes of a new donor molecule, TP-EDOT
Journal of Materials Chemistry, 2006, 16, 550
7203111 CIFC36 H30 F11 O6 S9 Sb2P 1 21/m 119.599; 10.953; 10.555
90; 101.11; 90
2223.4Yamochi, Hideki; Hagiwara, Jun; Soeda, Masaya; Saito, Gunzi
Synthesis and charge-transfer complexes of a new donor molecule, TP-EDOT
Journal of Materials Chemistry, 2006, 16, 550
7203118 CIFC16 H8 Cl I4 O4 S4 Se4C 1 2/c 126.823; 7.876; 13.259
90; 95.994; 90
2785.8Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène
Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)
Journal of Materials Chemistry, 2006, 16, 162
7203119 CIFC16 H12 Br I4 O2 S12P n m a7.8146; 30.306; 13.253
90; 90; 90
3138.7Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène
Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)
Journal of Materials Chemistry, 2006, 16, 162
7203120 CIFC17 H10 Cl3 I4 S4 Se8C 1 2/c 17.876; 14.217; 30.851
90; 95.721; 90
3437Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène
Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)
Journal of Materials Chemistry, 2006, 16, 162
7203121 CIFC17 H10 Br Cl2 I4 S4 Se8C 1 2/c 17.834; 14.257; 30.885
90; 95.789; 90
3432Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène
Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)
Journal of Materials Chemistry, 2006, 16, 162
7203122 CIFC16 H8 Cl I4 O4 S8P -17.5692; 13.544; 13.781
91.385; 101.128; 104.257
1339.7Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène
Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)
Journal of Materials Chemistry, 2006, 16, 162
7203123 CIFC16 H8 Br I4 O4 S8P -17.6511; 13.7; 14.006
90.804; 101.885; 104.209
1389.5Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène
Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)
Journal of Materials Chemistry, 2006, 16, 162
7203124 CIFC16 H8 Cl I4 O4 S4 Se4P -17.6396; 13.416; 14.049
91.468; 100.217; 105.839
1359.1Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène
Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)
Journal of Materials Chemistry, 2006, 16, 162
7203125 CIFC16 H8 Br I4 O4 S4 Se4P -17.709; 13.546; 14.219
90.866; 100.943; 105.857
1398.8Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène
Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)
Journal of Materials Chemistry, 2006, 16, 162
7203126 CIFC16 H12 Cl I4 O2 S12P n m a7.6827; 30.305; 13.1946
90; 90; 90
3072Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène
Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)
Journal of Materials Chemistry, 2006, 16, 162
7203134 CIFC24 H21 N3 O3P c a 2123.4804; 11.7367; 7.365
90; 90; 90
2029.7Srinivas, K.; Sitha, Sanyasi; Rao, V. Jayathirtha; Bhanuprakash, K.; Ravikumar, K.
NLO Activity in some non-conjugated 3D triazine derivatives: a non-centrosymmetric crystal through conformational flexibility
Journal of Materials Chemistry, 2006, 16, 496
7203135 CIFC52 H36 Cl4 N4 O S2P 21 21 29.9509; 25.1959; 9.0316
90; 90; 90
2264.42Huang, Ping-Hsin; Shen, Jiun-Yi; Pu, Shin-Chien; Wen, Yuh-Sheng; Lin, Jiann T.; Chou, Pi-Tai; Yeh, Ming-Chang P.
Synthesis and characterization of new fluorescent two-photon absorption chromophores
Journal of Materials Chemistry, 2006, 16, 850
7203145 CIFC120 H170 S12P -19.617; 13.895; 21.695
87.83; 84.549; 72.903
2758.3Azumi, Reiko; Mena-Osteritz, Elena; Boese, Roland; Benet-Buchholz, Jordi; Bäuerle, Peter
The longest oligothiophene ever examined by X-ray structure analysis
Journal of Materials Chemistry, 2006, 16, 728
7203158 CIFC25 H16 Fe N6 O S16P -16.686; 8.672; 16.095
99.91; 101.54; 94.59
894.3Simonov, S. V.; Zorina, L. V.; Khasanov, S. S.; Shibaeva, R. P.; Shevyakova, I. Yu.; Buravov, L. I.; Yagubskii, E. B.; Canadell, E.
Molecular conductors with the common and robust building block (BEDT-TTF)2NP (NP = [FeNO(CN)5]2‒) but different band filling
Journal of Materials Chemistry, 2006, 16, 787
7203159 CIFC37 H30 Fe N6 O3 S24P -119.481; 8.6405; 16.441
98.894; 93.169; 100.273
2680.5Simonov, S. V.; Zorina, L. V.; Khasanov, S. S.; Shibaeva, R. P.; Shevyakova, I. Yu.; Buravov, L. I.; Yagubskii, E. B.; Canadell, E.
Molecular conductors with the common and robust building block (BEDT-TTF)2NP (NP = [FeNO(CN)5]2‒) but different band filling
Journal of Materials Chemistry, 2006, 16, 787
7203160 CIFC91 H27 N OP 1 21/n 110.001; 19.579; 25.715
90; 93.051; 90
5028.11Padmawar, Prashant A.; Canteenwala, Taizoon; Verma, Sarika; Tan, Loon-Seng; Chiang, Long Y.
Synthesis and characterization of photoresponsive diphenylaminofluorene chromophore adducts of [60]fullerene
Journal of Materials Chemistry, 2006, 16, 1366
7203161 CIFC122 H150 Cl6 Ir2 N4 OF d d d :221.932; 25.059; 40.88
90; 90; 90
22467Bettington, Sylvia; Tavasli, Mustafa; Bryce, Martin R.; Batsanov, Andrei S.; Thompson, Amber L.; Al Attar, Hameed A.; Dias, Fernando B.; Monkman, Andrew P.
Bridged diiridium complexes for electrophosphorescent OLEDs: synthesis, X-ray crystal structures, photophysics, and devices
Journal of Materials Chemistry, 2006, 16, 1046
7203162 CIFC67 H90 Ir N3 O4 S3P -114.403; 15.041; 16.055
77.58; 70.27; 79.47
3174.2Bettington, Sylvia; Tavasli, Mustafa; Bryce, Martin R.; Batsanov, Andrei S.; Thompson, Amber L.; Al Attar, Hameed A.; Dias, Fernando B.; Monkman, Andrew P.
Bridged diiridium complexes for electrophosphorescent OLEDs: synthesis, X-ray crystal structures, photophysics, and devices
Journal of Materials Chemistry, 2006, 16, 1046
7203182 CIFC6 H7 Au N4P -16.9146; 7.0143; 10.59
100.178; 97.31; 117.655
434.7Yoshida, Yukihiro; Fujii, Junichi; Saito, Gunzi; Hiramatsu, Takaaki; Sato, Naoki
Dicyanoaurate(i) salts with 1-alkyl-3-methylimidazolium: luminescent properties and room-temperature liquid forming
Journal of Materials Chemistry, 2006, 16, 724
7203183 CIFC8 H11 Au N4P 1 21/c 18.3701; 19.9; 6.6722
90; 107.837; 90
1057.9Yoshida, Yukihiro; Fujii, Junichi; Saito, Gunzi; Hiramatsu, Takaaki; Sato, Naoki
Dicyanoaurate(i) salts with 1-alkyl-3-methylimidazolium: luminescent properties and room-temperature liquid forming
Journal of Materials Chemistry, 2006, 16, 724
7203213 CIFCo4 Na O12 P3P 1 21/n 16.339; 9.867; 15.3
90; 91.05; 90
956.8R. Baies; O. Pérez; V. Caignaert; V. Pralong; B. Raveau
A new sodium cobaltophosphate with a tunnel structure, ionic conductor
Journal of Materials Chemistry, 2006, 16, 2434
7203244 CIF?P -117.087; 18.792; 14.191
113.58; 109.77; 73.52
3871.49Ramasamy P. Pandian; Young-Il Kim; Patrick M. Woodward; Jay L. Zweier; Periakaruppan T. Manoharan; Periannan Kuppusamy
The open molecular framework of paramagnetic lithium octabutoxy-naphthalocyanine: implications for the detection of oxygen and nitric oxide using EPR spectroscopy
Journal of Materials Chemistry, 2006, 16, 3609
7203245 CIFC88 H128 O28 Ti6P 1 21/c 123.1926; 14.9481; 28.015
90; 103.536; 90
9442.6Yu Gao; Franz René Kogler; Herwig Peterlik; Ulrich Schubert
Ring-opening metathesis polymerizations with norbornene carboxylate-substituted metal oxo clusters
Journal of Materials Chemistry, 2006, 16, 3268
7203246 CIFC120 H142 O38 Zr6P 1 21/n 115.1389; 27.919; 28.2235
90; 93.822; 90
11902.5Yu Gao; Franz René Kogler; Herwig Peterlik; Ulrich Schubert
Ring-opening metathesis polymerizations with norbornene carboxylate-substituted metal oxo clusters
Journal of Materials Chemistry, 2006, 16, 3268
7203247 CIFC124 H152 O39 Zr6P -115.621; 15.641; 30.8
99.36; 95.793; 113.343
6703Yu Gao; Franz René Kogler; Herwig Peterlik; Ulrich Schubert
Ring-opening metathesis polymerizations with norbornene carboxylate-substituted metal oxo clusters
Journal of Materials Chemistry, 2006, 16, 3268
7203248 CIFC34.5 H44 Cl N6 O8P -111.39; 12.091; 14.386
74.85; 78.45; 68.7
1769.5Kanzaki, Yuki; Shiomi, Daisuke; Kaneda, Chika; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji
Clustering of molecular spins in the crystals of nitronylnitroxide and iminonitroxide triradicals based on benzene-1,3,5-triyl frameworks
Journal of Materials Chemistry, 2006, 16, 2064
7203249 CIFC34.5 H43 Cl N6 O5P -111.28; 11.995; 14.345
74.99; 78.72; 69.63
1745.5Kanzaki, Yuki; Shiomi, Daisuke; Kaneda, Chika; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji
Clustering of molecular spins in the crystals of nitronylnitroxide and iminonitroxide triradicals based on benzene-1,3,5-triyl frameworks
Journal of Materials Chemistry, 2006, 16, 2064
7203251 CIFC31 H61 Br N2 OP 1 21/c 127.0966; 9.2018; 13.7101
90; 95.859; 90
3400.6Chiou, Josh Y. Z.; Chen, J. N.; Lei, J. S.; Lin, Ivan J. B.
Ionic liquid crystals of imidazolium salts with a pendant hydroxyl group
Journal of Materials Chemistry, 2006, 16, 2972
7203293 CIFC26 H14 N2 O4P 1 21/n 15.136; 7.5227; 25.623
90; 91.005; 90
989.83Ofir, Yuval; Zelichenok, Alexander; Yitzchaik, Shlomo
1,4;5,8-naphthalene-tetracarboxylic diimide derivatives as model compounds for molecular layer epitaxy
Journal of Materials Chemistry, 2006, 16, 2142
7203294 CIFC26 H30 N2 O4P -18.2649; 14.504; 4.8883
98.05; 93.611; 96.27
574.91Ofir, Yuval; Zelichenok, Alexander; Yitzchaik, Shlomo
1,4;5,8-naphthalene-tetracarboxylic diimide derivatives as model compounds for molecular layer epitaxy
Journal of Materials Chemistry, 2006, 16, 2142
7203299 CIFC27 H25 Fe0.5 N O5 S17P -19.0105; 11.5303; 19.219
98.337; 99.0796; 103.549
1882.1Keigo Furuta; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; Scott S. Turner
The first organic molecule-based metal containing ferrocene
Journal of Materials Chemistry, 2006, 16, 1504
7203300 CIFC70 H82 O2P -19.086; 10.859; 16.278
104.921; 97.54; 103.68
1476Smith, Rhett C.; Gleason, L. Beth; Protasiewicz, John D.
Solution and film photoluminescence of mesityl-substituted PPVs and low molecular weight models
Journal of Materials Chemistry, 2006, 16, 2445
7203313 CIFC57 H54 Cr2 Mn3 N27 O8C 1 2 140.092; 10.399; 17.253
90; 92.43; 90
7187Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard
Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)
Journal of Materials Chemistry, 2006, 16, 2660
7203314 CIFC37 H42 Cr Mn2 N13 O8 SP -19.7483; 11.5277; 11.6016
68.5041; 86.9896; 78.3951
1187.93Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard
Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)
Journal of Materials Chemistry, 2006, 16, 2660
7203315 CIFC37 H49 Fe Mn2 N13 O7.5 SC 1 2/c 123.478; 13.805; 17.086
90; 125.9; 90
4486Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard
Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)
Journal of Materials Chemistry, 2006, 16, 2660
7203316 CIFC37 H49 Co Mn2 N13 O7.5 SC 1 2/c 123.46; 13.766; 17.047
90; 125.998; 90
4454Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard
Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)
Journal of Materials Chemistry, 2006, 16, 2660
7203325 CIFC52 H48 Cl4 Cu4 N20 O28.13P 1 21/n 119.9608; 17.0907; 21.2188
90; 96.983; 90
7185Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.
Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties
Journal of Materials Chemistry, 2006, 16, 2645
7203326 CIFC48 H44 Mn4 N32 O6P 1 21 113.02; 14.0538; 16.5587
90; 100.253; 90
2981.5Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.
Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties
Journal of Materials Chemistry, 2006, 16, 2645
7203327 CIFC57 H54 F12 Mn4 N16 O20 S4P -112.4058; 14.4617; 22.1102
72.629; 80.747; 78.257
3685.3Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.
Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties
Journal of Materials Chemistry, 2006, 16, 2645
7203328 CIFC46 H49 Cl4 Cu4 N31 O20C 1 2/c 122.912; 21.105; 18.184
90; 128.679; 90
6864Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.
Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties
Journal of Materials Chemistry, 2006, 16, 2645
7203329 CIFC81.5 H75 Cl4 Mn5 N25 O23.5P 1 21/n 113.9992; 22.318; 29.476
90; 93.573; 90
9191.4Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.
Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties
Journal of Materials Chemistry, 2006, 16, 2645
7203330 CIFC60 H74 Cl4 Mn5 N42 O29P 1 21/n 116.8375; 23.483; 23.61
90; 96.97; 90
9266Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.
Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties
Journal of Materials Chemistry, 2006, 16, 2645
7203331 CIFC102 H134 Mn9 N72 O58I 41/a c d :227.9255; 27.9255; 40.217
90; 90; 90
31363Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.
Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties
Journal of Materials Chemistry, 2006, 16, 2645
7203332 CIFC102 H108.4 Cl10 Cu9 N66 O65.2P 42/n :220.9857; 20.9857; 17.3731
90; 90; 90
7651.1Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.
Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties
Journal of Materials Chemistry, 2006, 16, 2645

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