Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7236957 | CIF | C24 H20 Cd N4 O11 | P c a 21 | 15.6931; 10.3418; 15.164 90; 90; 90 | 2461.04 | Sui, Qi; Yuan, Ye; Yang, Ning-Ning; Li, Xin; Gong, Teng; Gao, En-Qing; Wang, Lin Coordination-modulated piezochromism in metal‒viologen materials Journal of Materials Chemistry C, 2017, 5, 12400 |
| 7236958 | CIF | C33 H27 Ir N2 O6 | C 1 2/c 1 | 14.3281; 19.2115; 10.7242 90; 111.511; 90 | 2746.4 | Yan, Zhimin; Wang, Yanping; Ding, Junqiao; Wang, Yue; Wang, Lixiang Methoxyl modification in furo[3,2-c]pyridine-based iridium complexes towards highly efficient green- and orange-emitting electrophosphorescent devices Journal of Materials Chemistry C, 2017, 5, 12221 |
| 7236959 | CIF | C34 H36 O2 | I b c a | 16.6206; 17.1087; 18.788 90; 90; 90 | 5342.5 | Tian, Haiyan; Wang, Pengpeng; Liu, Jing; Duan, Yuxin; Dong, Yong Qiang Construction of a tetraphenylethene derivative exhibiting high contrast and multicolored emission switching Journal of Materials Chemistry C, 2017, 5, 12785 |
| 7236960 | CIF | C34 H36 O2 | P 1 21/c 1 | 13.6584; 5.7107; 36.606 90; 100.414; 90 | 2808.2 | Tian, Haiyan; Wang, Pengpeng; Liu, Jing; Duan, Yuxin; Dong, Yong Qiang Construction of a tetraphenylethene derivative exhibiting high contrast and multicolored emission switching Journal of Materials Chemistry C, 2017, 5, 12785 |
| 7236961 | CIF | C56 H36 N2 | P 1 21/c 1 | 18.8041; 12.7049; 19.0559 90; 112.425; 90 | 4208.3 | Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei Triphenylethylenyl-based donor–acceptor–donor molecules: studies on structural and optical properties and AIE properties for cyanide detection Journal of Materials Chemistry C, 2017, 5, 12194 |
| 7236962 | CIF | C58 H44 O3 | C 1 2/c 1 | 22.5855; 15.8549; 11.8676 90; 92.183; 90 | 4246.6 | Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection Journal of Materials Chemistry C, 2017, 5, 12194 |
| 7236963 | CIF | C56 H38 N2 | C 1 2/c 1 | 14.0044; 12.8632; 22.7228 90; 92.288; 90 | 4090.05 | Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei Triphenylethylenyl-based donor–acceptor–donor molecules: studies on structural and optical properties and AIE properties for cyanide detection Journal of Materials Chemistry C, 2017, 5, 12194 |
| 7236964 | CIF | C53 H38 O | P -1 | 10.7918; 10.8195; 17.2771 76.359; 81.029; 74.809 | 1882.35 | Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei Triphenylethylenyl-based donor–acceptor–donor molecules: studies on structural and optical properties and AIE properties for cyanide detection Journal of Materials Chemistry C, 2017, 5, 12194 |
| 7236965 | CIF | C60 H36 N4 | P -1 | 7.9503; 16.0571; 17.4515 80.314; 88.214; 84.116 | 2184.29 | Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei Triphenylethylenyl-based donor–acceptor–donor molecules: studies on structural and optical properties and AIE properties for cyanide detection Journal of Materials Chemistry C, 2017, 5, 12194 |
| 7236966 | CIF | C56 H45 O2.75 | P 1 21/n 1 | 12.1439; 9.0734; 37.6521 90; 90.014; 90 | 4148.8 | Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection Journal of Materials Chemistry C, 2017, 5, 12194 |
| 7236967 | CIF | C26 H15 N O2 | P 1 21/n 1 | 16.073; 8.073; 16.193 90; 117.877; 90 | 1857.3 | Huang, Bin; Li, Zijing; Yang, Hui; Hu, Die; Wu, Wenjing; Feng, Yan; Sun, Yueming; Lin, Baoping; Jiang, Wei Bicolour electroluminescence of 2-(carbazol-9-yl)anthraquinone based on a solution process Journal of Materials Chemistry C, 2017, 5, 12031 |
| 7236968 | CIF | C26 H15 N O2 | P 1 21/n 1 | 13.7811; 3.8536; 35.911 90; 94.057; 90 | 1902.34 | Huang, Bin; Li, Zijing; Yang, Hui; Hu, Die; Wu, Wenjing; Feng, Yan; Sun, Yueming; Lin, Baoping; Jiang, Wei Bicolour electroluminescence of 2-(carbazol-9-yl)anthraquinone based on a solution process Journal of Materials Chemistry C, 2017, 5, 12031 |
| 7236972 | CIF | C76 H2.5 O8 | P 21 21 21 | 8.273; 25.4125; 28.576 90; 90; 90 | 6007.8 | Venkatakrishnarao, Dasari; Sahoo, Chakradhar; Mamonov, Evgeniy A.; Novikov, Vladimir B.; Mitetelo, Nikolai V.; Naraharisetty, Sri Ram G.; Murzina, Tatiana V.; Chandrasekar, Rajadurai Chiral organic photonics: self-assembled micro-resonators for an enhanced circular dichroism effect in the non-linear optical signal Journal of Materials Chemistry C, 2017, 5, 12349 |
| 7236973 | CIF | C19 H12 Br N O | P 1 21/n 1 | 11.5066; 10.2017; 12.3497 90; 95.332; 90 | 1443.4 | Liu, Yang; Zhan, Ge; Fang, Peiyu; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui Manipulating organic triplet harvesting in regioisomeric microcrystals Journal of Materials Chemistry C, 2017, 5, 12547 |
| 7236974 | CIF | C19 H12 Br N O | P 1 21/n 1 | 8.2389; 9.5522; 18.47 90; 91.861; 90 | 1452.8 | Liu, Yang; Zhan, Ge; Fang, Peiyu; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui Manipulating organic triplet harvesting in regioisomeric microcrystals Journal of Materials Chemistry C, 2017, 5, 12547 |
| 7236975 | CIF | C19 H12 Br N O | I 1 2/a 1 | 21.5976; 7.7186; 18.3872 90; 110.435; 90 | 2872.3 | Liu, Yang; Zhan, Ge; Fang, Peiyu; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui Manipulating organic triplet harvesting in regioisomeric microcrystals Journal of Materials Chemistry C, 2017, 5, 12547 |
| 7236979 | CIF | C34 H39 N2 O4 | P -1 | 12.739; 14.079; 17.519 104.99; 103.277; 91.369 | 2942.4 | Akita, Takuya; Kiyohara, Daichi; Yamazaki, Taira; Uchida, Yoshiaki; Nishiyama, Norikazu Large negative magneto-LC effects induced by racemic dimerization of liquid crystalline nitroxide radicals with a terminal cyano group Journal of Materials Chemistry C, 2017, 5, 12457 |
| 7236982 | CIF | C24 H20 B F2 N O3 | P 1 21/n 1 | 11.151; 13.828; 13.934 90; 112.2; 90 | 1989.3 | Chen, Peng-Zhong; Wang, Jian-Xin; Niu, Li-Ya; Chen, Yu-Zhe; Yang, Qing-Zheng Carbazole-containing difluoroboron β-diketonate dyes: two-photon excited fluorescence in solution and grinding-induced blue-shifted emission in the solid state Journal of Materials Chemistry C, 2017, 5, 12538 |
| 7236983 | CIF | C18 H16 B F2 N O2 | C 1 2/c 1 | 21.231; 9.2009; 16.416 90; 105.76; 90 | 3086.2 | Chen, Peng-Zhong; Wang, Jian-Xin; Niu, Li-Ya; Chen, Yu-Zhe; Yang, Qing-Zheng Carbazole-containing difluoroboron β-diketonate dyes: two-photon excited fluorescence in solution and grinding-induced blue-shifted emission in the solid state Journal of Materials Chemistry C, 2017, 5, 12538 |
| 7236984 | CIF | C22 H19 B2 F4 N O4 | P 42/n :2 | 23.179; 23.179; 7.6814 90; 90; 90 | 4127 | Chen, Peng-Zhong; Wang, Jian-Xin; Niu, Li-Ya; Chen, Yu-Zhe; Yang, Qing-Zheng Carbazole-containing difluoroboron β-diketonate dyes: two-photon excited fluorescence in solution and grinding-induced blue-shifted emission in the solid state Journal of Materials Chemistry C, 2017, 5, 12538 |
| 7236997 | CIF | C25 H23 N O5 S | P 1 n 1 | 11.6942; 7.069; 13.1573 90; 101.21; 90 | 1066.91 | Choi, Jae-Young; Lee, Seung-Jun; Lee, Seung-Chul; Jeong, Chan-Uk; Jazbinsek, Mojca; Yun, Hoseop; Kang, Bong Joo; Rotermund, Fabian; Kwon, O-Pil Quinolinium single crystals with a high optical nonlinearity and unusual out-of-plane polar axis Journal of Materials Chemistry C, 2017, 5, 12602 |
| 7252066 | CIF | C8 Ca5 Na6 O24 | P 63 m c | 10.0708; 10.0708; 12.604 90; 90; 120 | 1107 | Song, Yunxia; Luo, Min; Zhao, Dan; Peng, Guang; Lin, Chensheng; Ye, Ning Explorations of new UV nonlinear optical materials in the Na2CO3-CaCO3 system Journal of Materials Chemistry C, 2017, 5, 8758 |
| 8000197 | CIF | C144 H162 Ag6.66 Au18.34 S18 | P -1 | 16.191; 17.244; 18.613 105.871; 106.252; 90.74 | 4776 | Kumara, Chanaka; Aikens, Christine M.; Dass, Amala X-ray Crystal Structure and Theoretical Analysis of Au25‒xAgx(SCH2CH2Ph)18‒Alloy The Journal of Physical Chemistry Letters, 2014, 5, 461 |
| 8000198 | CIF | C14 H12.8 N4 O1.4 | P 1 21/c 1 | 8.761; 16.167; 9.689 90; 108.314; 90 | 1302.8 | Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N‒H···N Hydrogen Bond The Journal of Physical Chemistry Letters, 2014, 5, 92 |
| 8000199 | CIF | C14 H12 N4 O | P -1 | 7.5326; 9.6002; 10.1649 99.619; 109.189; 109.599 | 621.42 | Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N–H···N Hydrogen Bond The Journal of Physical Chemistry Letters, 2014, 5, 92 |
| 8000200 | CIF | C14 H3 F7 O2 | P 21 21 21 | 4.4782; 11.8813; 21.849 90; 90; 90 | 1162.5 | Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B. Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes The Journal of Physical Chemistry Letters, 2014, 5, 1560 |
| 8000201 | CIF | C44 Cs Er F52 O8 | P n n a | 26.1476; 14.1409; 14.6773 90; 90; 90 | 5426.9 | Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B. Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes The Journal of Physical Chemistry Letters, 2014, 5, 1560 |
| 8000202 | CIF | C58 H14 Cs Er F28 O8 | C 1 2/c 1 | 26.905; 8.464; 24.2743 90; 107.21; 90 | 5280.3 | Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B. Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes The Journal of Physical Chemistry Letters, 2014, 5, 1560 |
| 8000203 | CIF | C56 Cs Er F28 O12 | P -1 | 13.2677; 14.96; 15.5993 99.293; 101.038; 115.265 | 2643.1 | Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B. Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes The Journal of Physical Chemistry Letters, 2014, 5, 1560 |
| 8000206 | CIF | C46 H54 O2 S4 | P -1 | 5.8691; 14.2212; 14.2606 113.921; 100.286; 93.039 | 1060.1 | Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara Structure–Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene–Phenylene Co-Oligomer with Bulky Terminal Substituents The Journal of Physical Chemistry Letters, 2014, 5, 2171 |
| 8000207 | CIF | C23 H27 O S2 | P -1 | 10.0773; 12.626; 17.705 82.176; 77.112; 76.89 | 2130 | Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara Structure–Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene–Phenylene Co-Oligomer with Bulky Terminal Substituents The Journal of Physical Chemistry Letters, 2014, 5, 2171 |
| 8000208 | CIF | C32 H36 N2 | P -1 | 6.202; 8.602; 12.334 83.36; 79.79; 73.78 | 620.3 | Chen, Jinlong; Ma, Suqian; Zhang, Jibo; Wang, Lijuan; Ye, Ling; Li, Bao; Xu, Bin; Tian, Wenjing Proton-Triggered Hypsochromic Luminescence in 1,1′-(2,5-Distyryl-1,4-phenylene) Dipiperidine The Journal of Physical Chemistry Letters, 2014, 5, 2781 |
| 9005119 | CIF | Al0.16 Ca0.764 F0.33 Fe0.24 H1.67 K0.21 Mg4.22 Mn0.802 Na1.574 O23.67 Si7.92 | C 1 2/m 1 | 9.891; 18.018; 5.276 90; 104.15; 90 | 911.739 | Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E. The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(1) European Journal of Mineralogy, 1993, 5, 43-51 |
| 9005120 | CIF | Al0.14 Ca0.75 F0.34 Fe0.24 H1.66 K0.2 Mg4.28 Mn0.81 Na1.62 O23.66 Si7.9 | C 1 2/m 1 | 9.892; 18.027; 5.278 90; 104.09; 90 | 912.873 | Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E. The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(2) European Journal of Mineralogy, 1993, 5, 43-51 |
| 9005121 | CIF | Al0.2 Ca0.88 F0.3 Fe0.24 H1.7 K0.24 Mg4.28 Mn0.75 Na1.5 O23.7 Si7.84 | C 1 2/m 1 | 9.909; 18.03; 5.278 90; 104.23; 90 | 914.03 | Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E. The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(3) European Journal of Mineralogy, 1993, 5, 43-51 |
| 9005122 | CIF | Al0.12 Ca0.92 F0.35 Fe0.2 H1.65 K0.35 Mg3.97 Mn0.95 Na1.45 O23.65 Si7.94 | C 1 2/m 1 | 9.966; 18.066; 5.279 90; 104.4; 90 | 920.601 | Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E. The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(4) European Journal of Mineralogy, 1993, 5, 43-51 |
| 9005123 | CIF | Al0.12 Ca0.92 F0.35 Fe0.2 H1.65 K0.35 Mg3.97 Mn0.95 Na1.45 O23.65 Si7.94 | C 1 2/m 1 | 9.974; 18.078; 5.282 90; 104.36; 90 | 922.641 | Oberti, R.; Hawthorne, F. C.; Ungaretti, L.; Cannillo, E. The behaviour of Mn in amphiboles: Mn in richerite Sample: MR(5) using occupancies from MR(4) European Journal of Mineralogy, 1993, 5, 43-51 |
| 9005124 | CIF | Ca3 Fe2 O12 Si3 | I a -3 d | 12.051; 12.051; 12.051 90; 90; 90 | 1750.13 | Armbruster, T.; Geiger, C. A. Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 100K European Journal of Mineralogy, 1993, 5, 59-71 |
| 9005125 | CIF | Ca3 Fe2 O12 Si3 | I a -3 d | 12.056; 12.056; 12.056 90; 90; 90 | 1752.31 | Armbruster, T.; Geiger, C. A. Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 200K European Journal of Mineralogy, 1993, 5, 59-71 |
| 9005126 | CIF | Ca3 Fe2 O12 Si3 | I a -3 d | 12.063; 12.063; 12.063 90; 90; 90 | 1755.36 | Armbruster, T.; Geiger, C. A. Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 293K European Journal of Mineralogy, 1993, 5, 59-71 |
| 9005127 | CIF | Ca3 Fe2 O12 Si3 | I a -3 d | 12.068; 12.068; 12.068 90; 90; 90 | 1757.54 | Armbruster, T.; Geiger, C. A. Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 350K European Journal of Mineralogy, 1993, 5, 59-71 |
| 9005128 | CIF | Ca3 Fe2 O12 Si3 | I a -3 d | 12.081; 12.081; 12.081 90; 90; 90 | 1763.23 | Armbruster, T.; Geiger, C. A. Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 500K European Journal of Mineralogy, 1993, 5, 59-71 |
| 9005129 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.476; 11.476; 11.476 90; 90; 90 | 1511.37 | Armbruster, T.; Geiger, C. A. Andradite crystal chemistry, dynamic X-site disorder and structural strain in silicate garnets Sample: T = 500K European Journal of Mineralogy, 1993, 5, 59-71 |
| 9005130 | CIF | Ca H2 K Mg5 Na O24 Si8 | C 1 2/m 1 | 10.0547; 17.997; 5.2746 90; 104.832; 90 | 922.66 | Robert, J.-L.; Della Ventura, G.; Raudsepp, M.; Hawthorne, F. C. Rietveld structure refinement of synthetic strontium-rich potassium-richterites Sample: KSr_0 European Journal of Mineralogy, 1993, 5, 199-206 |
| 9005131 | CIF | Ca0.5 H2 K Mg5 Na O24 Si8 Sr0.5 | C 1 2/m 1 | 10.1063; 18.056; 5.2717 90; 105.168; 90 | 928.464 | Robert, J.-L.; Della Ventura, G.; Raudsepp, M.; Hawthorne, F. C. Rietveld structure refinement of synthetic strontium-rich potassium-richterites Sample: KSr_50 European Journal of Mineralogy, 1993, 5, 199-206 |
| 9005132 | CIF | H2 K Mg5 Na O24 Si8 Sr | C 1 2/m 1 | 10.1534; 18.115; 5.2723 90; 105.421; 90 | 934.816 | Robert, J.-L.; Della Ventura, G.; Raudsepp, M.; Hawthorne, F. C. Rietveld structure refinement of synthetic strontium-rich potassium-richterites Sample: KSr_100 European Journal of Mineralogy, 1993, 5, 199-206 |
| 9005133 | CIF | Cd In2 Na O12 P3 | C 1 2/c 1 | 12.519; 12.959; 6.575 90; 115.17; 90 | 965.405 | Antenucci, D.; Miehe, G.; Tarte, P.; Schmahl, W. W.; Fransolet, A.-M. Combined X-ray Rietveld, infrared and Raman study of a new synthetic variety of alluaudite, NaCdIn2(PO4)3 European Journal of Mineralogy, 1993, 5, 207-213 |
| 9005134 | CIF | Ga3 K0.9 Na2.1 O12 Si3 | P 63 | 8.8169; 8.8169; 8.3873 90; 90; 120 | 564.657 | Barbier, J.; Liu, B.; Weber, J. Crystal chemistry of the (Na,K)GaSiO4 system Note: kalsilite structure European Journal of Mineralogy, 1993, 5, 297-305 |
| 9005135 | CIF | Al2.1 Ba0.9 H9.3 K0.02 Mg0.04 Na0.035 O20.88 Si5.9 | P 1 21/m 1 | 6.79; 17.581; 7.735 90; 94.5; 90 | 920.519 | Cabella, R.; Lucchetti, G.; Palenzona, A.; Quartieri, S.; Vezzalini, G. First occurrence of a Ba-dominant brewsterite: structural features European Journal of Mineralogy, 1993, 5, 353-360 |
| 9005136 | CIF | Al1.49 Ca0.01 Cl0.03 F0.99 Fe2.02 H0.98 K0.92 Li0.33 Mg0.03 Mn0.07 Na0.09 O10.98 Rb0.01 Si2.98 | C 1 2/m 1 | 5.3655; 9.293; 10.198 90; 100.47; 90 | 500.022 | Weiss, Z.; Rieder, M.; Smrcok, L.; Petricek, V.; Bailey, S. W. Refinement of the crystal structures of two "protolithionites" Sample : 1M European Journal of Mineralogy, 1993, 5, 493-502 |
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