Crystallography Open Database

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7227041 CIFC12 H34 N4 O25 P6 Zn5P -19.366; 9.882; 19.183
85.406; 85.029; 114.485
1596.5Harrison, William T. A.; Nenoff, Tina M.; Eddy, Michael, M.; Martin, Theresa E.; Stucky, Galen, D.
Organic templates in zincophosphates synthesis : Zn5(PO4)2(HPO4)4.H2O.2H2N2C6H12, containing two distinct eight-ring channels and Zn3(PO4)(HPO4)2.HN2C6H12, containing tetrahedral three-rings and Zn-N bonds
Journal of Materials Chemistry, 1992, 2, 1127-1134
7227042 CIFC6 N2 O12 P3 Zn3P 21 21 2111.095; 16.413; 8.263
90; 90; 90
1504.7Harrison, William T. A.; Nenoff, Tina M.; Eddy, Michael, M.; Martin, Theresa E.; Stucky, Galen, D.
Organic templates in zincophosphates synthesis : Zn5(PO4)2(HPO4)4.H2O.2H2N2C6H12, containing two distinct eight-ring channels and Zn3(PO4)(HPO4)2.HN2C6H12, containing tetrahedral three-rings and Zn-N bonds
Journal of Materials Chemistry, 1992, 2, 1127-1134
7227610 CIFAs0.5 K O5 P0.5 TiP n 21 a12.9695; 10.6898; 6.4932
90; 90; 90
900.23Crennell, Susan J.; Cheetham, Anthony K; Jarman, Richard H.; Thrash, Robert J.; Kaduk, James A.
Isomorphous substitution in non-linear optical KTiOPO4: neutron powder diffraction study of KTiO(P0.5As0.5)O4
Journal of Materials Chemistry, 1992, 2, 383-386
7227625 CIFK0.5 O5 P Rb0.5 SnP n 21 a13.2382; 10.7083; 6.5581
90; 90; 90
929.67Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.
Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4
Journal of Materials Chemistry, 1992, 2, 785-792
7227626 CIFK0.5 Na0.5 O5 P Sn0.5 Ti0.5P n 21 a12.8826; 10.6384; 6.3898
90; 90; 90
875.72Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.
Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4
Journal of Materials Chemistry, 1992, 2, 785-792
7227627 CIFNa0.5 O5 P Rb0.5 Sn0.5 Ti0.5P n 21 a13.1435; 10.6433; 6.5478
90; 90; 90
915.97Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.
Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4
Journal of Materials Chemistry, 1992, 2, 785-792
7227628 CIFK0.5 O5 P Rb0.5 Sn0.5 Ti0.5P n 21 a13.044; 10.6304; 6.4961
90; 90; 90
900.77Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.
Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4
Journal of Materials Chemistry, 1992, 2, 785-792
7228257 CIFCu2.667 Li2.667 Nb8 O24I 2 37.5286; 7.5286; 7.5286
90; 90; 90
426.72Mineo Sato; Yoshiki Hama
Structure of new perovskite-related compounds, LiCuM3O9 (M = Nb, Ta)
Journal of Materials Chemistry, 1993, 3, 233-236
7228258 CIFCu2.667 Li2.667 O24 Ta8I m -37.5178; 7.5178; 7.5178
90; 90; 90
424.886Mineo Sato; Yoshiki Hama
Structure of new perovskite-related compounds, LiCuM3O9 (M = Nb, Ta)
Journal of Materials Chemistry, 1993, 3, 233-236
7228418 CIFLi3 O4 RuP 1 2/a 15.10555; 5.85403; 5.10587
90; 110.039; 90
143.366Bush, T. S.; Catlow, C. R. A.; Battle, P. D.
Evolutionary programming techniques for predicting inorganic crystal structures
Journal of Materials Chemistry, 1995, 5, 1269-1272
7228628 CIFMo4 Na5 O16 YI 41/a :211.374; 11.374; 11.44
90; 90; 90
1480Stedman, Nicola J.; Cheetham, Anthony K.; Battle, Peter D.
Crystal structures of two sodium yttrium molybdates : NaY(MoO4)2 and Na5Y(MoO4)4
Journal of Materials Chemistry, 1994, 4, 707-711
7228629 CIFMo2 Na O8 YI 41/a :25.1989; 5.1989; 11.3299
90; 90; 90
306.231Stedman, Nicola J.; Cheetham, Anthony K.; Battle, Peter D.
Crystal structures of two sodium yttrium molybdates : NaY(MoO4)2 and Na5Y(MoO4)4
Journal of Materials Chemistry, 1994, 4, 707-711
7229074 CIFD2 Mn O5 PC 1 2/c 16.7101; 7.3152; 7.1746
90; 112.372; 90
325.66Miguel A. G. Aranda; J. Paul Attfield; Sebastian Bruque; Fernando Palacio
Magnetic structures of MnPO4.D2O and MnAsO4.D2O from time-of-flight neutron powder diffraction data
Journal of Materials Chemistry, 1992, 2, 501-505
7229075 CIFAs D2 Mn O5C 1 2/c 16.8707; 7.6958; 7.3121
90; 112.221; 90
357.92Miguel A. G. Aranda; J. Paul Attfield; Sebastian Bruque; Fernando Palacio
Magnetic structures of MnPO4.D2O and MnAsO4.D2O from time-of-flight neutron powder diffraction data
Journal of Materials Chemistry, 1992, 2, 501-505
7238082 CIFC38 H28 Co N6 S2P 1 21/c 117.664; 12.548; 17.271
90; 115.91; 90
3443Guionneau, Philippe; Marchivie, Mathieu; Bravic, Georges; Létard, Jean-François; Chasseau, Daniel
Co(ii) molecular complexes as a reference for the spin crossover in Fe(ii) analogues
J. Mater. Chem., 2002, 12, 2546
7238083 CIFC38 H28 Co N6 S2P 1 21/c 117.1637; 12.5575; 17.2701
90; 115.844; 90
3349.99Guionneau, Philippe; Marchivie, Mathieu; Bravic, Georges; Létard, Jean-François; Chasseau, Daniel
Co(ii) molecular complexes as a reference for the spin crossover in Fe(ii) analogues
J. Mater. Chem., 2002, 12, 2546
7238084 CIFC42.5 H30 Co N6 O0.5 S2P 1 21/c 115.599; 14.727; 16.87
90; 93.65; 90
3868Guionneau, Philippe; Marchivie, Mathieu; Bravic, Georges; Létard, Jean-François; Chasseau, Daniel
Co(ii) molecular complexes as a reference for the spin crossover in Fe(ii) analogues
J. Mater. Chem., 2002, 12, 2546
7238085 CIFC43 H28 Co N6 S2P 1 21/c 115.674; 14.599; 16.844
90; 93.105; 90
3848.7Guionneau, Philippe; Marchivie, Mathieu; Bravic, Georges; Létard, Jean-François; Chasseau, Daniel
Co(ii) molecular complexes as a reference for the spin crossover in Fe(ii) analogues
J. Mater. Chem., 2002, 12, 2546
7238086 CIFC43 H28 Co N6 S2P 1 21/c 115.6741; 14.3226; 16.7829
90; 93.364; 90
3761.2Guionneau, Philippe; Marchivie, Mathieu; Bravic, Georges; Létard, Jean-François; Chasseau, Daniel
Co(ii) molecular complexes as a reference for the spin crossover in Fe(ii) analogues
J. Mater. Chem., 2002, 12, 2546
7238378 CIFC48 H34 N4P -111.209; 12.6; 14.572
91.81; 111.78; 107.79
1795.1Li, Yue-Qin; Fang, Run-Chen; Zheng, An-Min; Chu, Yue-Ying; Tao, Xian; Xu, Hui-Hua; Ding, Shi-Jin; Shen, Ying-Zhong
Nonvolatile memory devices based on polyimides bearing noncoplanar twisted biphenyl units containing carbazole and triphenylamine side-chain groups
Journal of Materials Chemistry, 2011, 21, 15643
7238379 CIFC37 H25 N3P 1 21/n 114.0207; 9.8721; 19.5803
90; 106.189; 90
2602.72Chen, You-Ming; Hung, Wen-Yi; You, Hong-Wei; Chaskar, Atul; Ting, Hao-Chun; Chen, Hsiao-Fan; Wong, Ken-Tsung; Liu, Yi-Hung
Carbazole‒benzimidazole hybrid bipolar host materials for highly efficient green and blue phosphorescent OLEDs
Journal of Materials Chemistry, 2011, 21, 14971
7238380 CIFC48 H48 N2 S4P -19.758; 12.2984; 18.563
99.104; 103.488; 102.84
2059.6Nishinaga, Tohru; Miyata, Toshihiko; Tateno, Masaki; Koizumi, Masahide; Takase, Masayoshi; Iyoda, Masahiko; Kobayashi, Norihito; Kunugi, Yoshihito
Synthesis and structural, electronic, optical and FET properties of thiophene‒pyrrole mixed hexamers end-capped with phenyl and pentafluorophenyl groups
Journal of Materials Chemistry, 2011, 21, 14959
7238381 CIFC48 H43 F5 N2 S4P -15.5928; 10.505; 18.392
104.347; 93.216; 90.447
1045Nishinaga, Tohru; Miyata, Toshihiko; Tateno, Masaki; Koizumi, Masahide; Takase, Masayoshi; Iyoda, Masahiko; Kobayashi, Norihito; Kunugi, Yoshihito
Synthesis and structural, electronic, optical and FET properties of thiophene‒pyrrole mixed hexamers end-capped with phenyl and pentafluorophenyl groups
Journal of Materials Chemistry, 2011, 21, 14959
7238533 CIFC5 F N O7 P2 ZrP 1 21/c 112.3979; 8.9255; 10.8594
90; 97.544; 90
1191.27Donnadio, Anna; Pica, Monica; Taddei, Marco; Vivani, Riccardo
Design and synthesis of plasticizing fillers based on zirconium phosphonates for glycerol-free composite starch films
Journal of Materials Chemistry, 2012, 22, 5098
7238534 CIFC6 F N O7 P2 ZrP 1 21/c 113.453; 8.915; 10.863
90; 106.51; 90
1249.1Donnadio, Anna; Pica, Monica; Taddei, Marco; Vivani, Riccardo
Design and synthesis of plasticizing fillers based on zirconium phosphonates for glycerol-free composite starch films
Journal of Materials Chemistry, 2012, 22, 5098
7238535 CIFC7 F N O7 P2 ZrP 1 21/c 114.4786; 8.89; 10.882
90; 93.86; 90
1397.5Donnadio, Anna; Pica, Monica; Taddei, Marco; Vivani, Riccardo
Design and synthesis of plasticizing fillers based on zirconium phosphonates for glycerol-free composite starch films
Journal of Materials Chemistry, 2012, 22, 5098
7238536 CIFC21 H19 B F2 O4C 1 2/c 126.2572; 7.2012; 10.3231
90; 98.87; 90
1928.58Sun, Xingxing; Zhang, Xuepeng; Li, Xinyang; Liu, Shiyong; Zhang, Guoqing
A mechanistic investigation of mechanochromic luminescent organoboron materials
Journal of Materials Chemistry, 2012, 22, 17332
7238537 CIFC19 H17 B F2 O4P 1 c 110.6842; 7.2837; 12.8423
90; 120.355; 90
862.39Sun, Xingxing; Zhang, Xuepeng; Li, Xinyang; Liu, Shiyong; Zhang, Guoqing
A mechanistic investigation of mechanochromic luminescent organoboron materials
Journal of Materials Chemistry, 2012, 22, 17332
7238538 CIFC17 H15 B F2 O4C 1 2/c 121.1856; 7.1155; 10.3692
90; 96.363; 90
1553.49Sun, Xingxing; Zhang, Xuepeng; Li, Xinyang; Liu, Shiyong; Zhang, Guoqing
A mechanistic investigation of mechanochromic luminescent organoboron materials
Journal of Materials Chemistry, 2012, 22, 17332
7238539 CIFC27 H24 Br3 NP 21 21 217.5089; 14.414; 21.5562
90; 90; 90
2333.1Fang, Zhen; Chellappan, Vijila; Webster, Richard D.; Ke, Lin; Zhang, Tianfu; Liu, Bin; Lai, Yee-Hing
Bridged-triarylamine starburst oligomers as hole transporting materials for electroluminescent devices
Journal of Materials Chemistry, 2012, 22, 15397
7238540 CIFC17 H24 N14 O2 ZnP 42/m n m15.605; 15.605; 13.601
90; 90; 90
3312.1Yang, Guang-Sheng; Li, Mei-Na; Li, Shun-Li; Lan, Ya-Qian; He, Wen-Wen; Wang, Xin-Long; Qin, Jun-Sheng; Su, Zhong-Min
Controllable synthesis of microporous, nanotubular and mesocage-like metal‒organic frameworks by adjusting the reactant ratio and modulated luminescence properties of Alq3@MOF composites
Journal of Materials Chemistry, 2012, 22, 17947
7238541 CIFC131 H204 N90 O23 Zn7R -3 :H29.667; 29.667; 22.161
90; 90; 120
16891Yang, Guang-Sheng; Li, Mei-Na; Li, Shun-Li; Lan, Ya-Qian; He, Wen-Wen; Wang, Xin-Long; Qin, Jun-Sheng; Su, Zhong-Min
Controllable synthesis of microporous, nanotubular and mesocage-like metal‒organic frameworks by adjusting the reactant ratio and modulated luminescence properties of Alq3@MOF composites
Journal of Materials Chemistry, 2012, 22, 17947
7238542 CIFC22 H35 Cl2 N15 O4 Zn2R -3 c :H28.993; 28.993; 21.958
90; 90; 120
15985Yang, Guang-Sheng; Li, Mei-Na; Li, Shun-Li; Lan, Ya-Qian; He, Wen-Wen; Wang, Xin-Long; Qin, Jun-Sheng; Su, Zhong-Min
Controllable synthesis of microporous, nanotubular and mesocage-like metal‒organic frameworks by adjusting the reactant ratio and modulated luminescence properties of Alq3@MOF composites
Journal of Materials Chemistry, 2012, 22, 17947
7238543 CIFC18 H14 Co N4P n a 2114.707; 5.1858; 17.973
90; 90; 90
1370.8Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil
Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors
Journal of Materials Chemistry, 2012, 22, 17967
7238544 CIFC43 H36 Cl2 Co2 N8P -19.385; 13.304; 15.3654
74.895; 81.155; 75.541
1785.5Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil
Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors
Journal of Materials Chemistry, 2012, 22, 17967
7238545 CIFC18 H14 Cu N4P 1 21/c 119.416; 5.1511; 14.878
90; 112.394; 90
1375.8Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil
Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors
Journal of Materials Chemistry, 2012, 22, 17967
7238546 CIFC26 H18 N4 NiC m c 2120.428; 12.905; 6.973
90; 90; 90
1838.2Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil
Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors
Journal of Materials Chemistry, 2012, 22, 17967
7238547 CIFC66 H74 Mg N6 O6 Si2P 1 21/n 115.3573; 7.4862; 27.068
90; 103.435; 90
3026.79Hatano, Junichi; Obata, Naoki; Yamaguchi, Shigeru; Yasuda, Takeshi; Matsuo, Yutaka
Soluble porphyrin donors for small molecule bulk heterojunction solar cells
Journal of Materials Chemistry, 2012, 22, 19258
7238548 CIFC60 H68 Mg N4 O2 Si2P -110.7018; 16.4164; 16.4397
102.654; 98.991; 95.304
2759.28Hatano, Junichi; Obata, Naoki; Yamaguchi, Shigeru; Yasuda, Takeshi; Matsuo, Yutaka
Soluble porphyrin donors for small molecule bulk heterojunction solar cells
Journal of Materials Chemistry, 2012, 22, 19258
7238549 CIFC48 H35 F6 Ir N6 O0.5 PP b c a10.7181; 17.865; 41.906
90; 90; 90
8024.1Tordera, Daniel; Pertegás, Antonio; Shavaleev, Nail M.; Scopelliti, Rosario; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Grätzel, Michael; Nazeeruddin, Mohammad K.
Efficient orange light-emitting electrochemical cells
Journal of Materials Chemistry, 2012, 22, 19264
9017502 CIFFe3 O8 P2P 1 21/c 16.0186; 4.7768; 10.4192
90; 90.952; 90
299.507Warner, J. K.; Cheetham, A. K.; Nord, A. G.; Von Dreele, R. B.; Yethiraj, M.
Magnetic structure of iron(II) phosphate, sarcopside, Fe3(PO4)2 Sample: FE3(PO4)2 Note: T = 59.7 K
Journal of Materials Chemistry, 1992, 2, 191-196
9017503 CIFFe3 O8 P2P 1 21/c 16.01037; 4.7727; 10.4052
90; 90.944; 90
298.44Warner, J. K.; Cheetham, A. K.; Nord, A. G.; Von Dreele, R. B.; Yethiraj, M.
Magnetic structure of iron(II) phosphate, sarcopside, Fe3(PO4)2 Sample: FE3(PO4)2 Note: T = 10.1 K
Journal of Materials Chemistry, 1992, 2, 191-196

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