Crystallography Open Database
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Searching year of publication is 2015
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
7236106 | CIF | C25 H26 Co N4 O7 | P 1 21/n 1 | 10.4589; 13.3445; 18.115 90; 90.25; 90 | 2528.3 | Bala, Sukhen; Mondal, Indranil; Goswami, Arijit; Pal, Ujjwal; Mondal, Raju Co-MOF as a sacrificial template: manifesting a new Co3O4/TiO2 system with a p‒n heterojunction for photocatalytic hydrogen evolution Journal of Materials Chemistry A, 2015, 3, 20288 |
7236107 | CIF | C19 H20 Co N4 O4 | C 1 2/c 1 | 19.2342; 13.4738; 18.5923 90; 116.139; 90 | 4325.6 | Bala, Sukhen; Mondal, Indranil; Goswami, Arijit; Pal, Ujjwal; Mondal, Raju Co-MOF as a sacrificial template: manifesting a new Co3O4/TiO2 system with a p‒n heterojunction for photocatalytic hydrogen evolution Journal of Materials Chemistry A, 2015, 3, 20288 |
7236108 | CIF | C5 H2 N8 O6 | P 21 21 21 | 5.2626; 8.591; 20.393 90; 90; 90 | 922 | Schulze, M. C.; Scott, B. L.; Chavez, D. E. A high density pyrazolo-triazine explosive (PTX) Journal of Materials Chemistry A, 2015, 3, 17963 |
7236109 | CIF | C25 H11 Cu2 N O10 | R -3 m :H | 18.5943; 18.5943; 38.7113 90; 90; 120 | 11591.2 | Song, Chengling; Hu, Jiayi; Ling, Yajing; Feng, YunLong; Krishna, Rajamani; Chen, De-li; He, Yabing The accessibility of nitrogen sites makes a difference in selective CO2 adsorption of a family of isostructural metal‒organic frameworks Journal of Materials Chemistry A, 2015, 3, 19417 |
7236110 | CIF | C25 H11 Cu2 N O10 | R -3 m :H | 18.6463; 18.6463; 38.5563 90; 90; 120 | 11609.4 | Song, Chengling; Hu, Jiayi; Ling, Yajing; Feng, YunLong; Krishna, Rajamani; Chen, De-li; He, Yabing The accessibility of nitrogen sites makes a difference in selective CO2 adsorption of a family of isostructural metal‒organic frameworks Journal of Materials Chemistry A, 2015, 3, 19417 |
7236111 | CIF | C25 H16 Cu2 N2 O11 | R -3 m :H | 18.5565; 18.5565; 38.6189 90; 90; 120 | 11516.6 | Song, Chengling; Hu, Jiayi; Ling, Yajing; Feng, YunLong; Krishna, Rajamani; Chen, De-li; He, Yabing The accessibility of nitrogen sites makes a difference in selective CO2 adsorption of a family of isostructural metal‒organic frameworks Journal of Materials Chemistry A, 2015, 3, 19417 |
7236112 | CIF | C121 H110 N7 O28 Rh4 | P -1 | 14.3649; 15.5751; 16.3871 72.966; 73.45; 68.665 | 3199.2 | Chen, Lianfen; Yang, Tao; Cui, Hao; Cai, Tao; Zhang, Li; Su, Cheng-Yong A porous metal‒organic cage constructed from dirhodium paddle-wheels: synthesis, structure and catalysis Journal of Materials Chemistry A, 2015, 3, 20201 |
7236113 | CIF | C4 H4 N6 O2 | P 1 21/c 1 | 7.0958; 8.6167; 11.0839 90; 102.365; 90 | 661.98 | Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. Energetic compounds consisting of 1,2,5- and 1,3,4-oxadiazole rings Journal of Materials Chemistry A, 2015, 3, 23143 |
7236114 | CIF | C4 H5 N7 O5 | P 1 21/n 1 | 6.5964; 7.4775; 17.4904 90; 97.043; 90 | 856.2 | Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. Energetic compounds consisting of 1,2,5- and 1,3,4-oxadiazole rings Journal of Materials Chemistry A, 2015, 3, 23143 |
7236115 | CIF | C4 H8 N8 O6 | C 1 2/c 1 | 26.968; 4.0185; 18.7676 90; 99.579; 90 | 2005.5 | Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. Energetic compounds consisting of 1,2,5- and 1,3,4-oxadiazole rings Journal of Materials Chemistry A, 2015, 3, 23143 |
7236116 | CIF | C44 H22 F4 N8 O2 Si | P 1 21/c 1 | 8.4484; 13.6023; 15.2391 90; 97.453; 90 | 1736.4 | Lessard, Benoît H.; Grant, Trevor M.; White, Robin; Thibau, Emmanuel; Lu, Zheng-Hong; Bender, Timothy P. The position and frequency of fluorine atoms changes the electron donor/acceptor properties of fluorophenoxy silicon phthalocyanines within organic photovoltaic devices Journal of Materials Chemistry A, 2015, 3, 24512 |
7236117 | CIF | C44 H20 F6 N8 O2 Si | P 1 21/c 1 | 9.6397; 19.771; 10.0445 90; 118.661; 90 | 1679.8 | Lessard, Benoît H.; Grant, Trevor M.; White, Robin; Thibau, Emmanuel; Lu, Zheng-Hong; Bender, Timothy P. The position and frequency of fluorine atoms changes the electron donor/acceptor properties of fluorophenoxy silicon phthalocyanines within organic photovoltaic devices Journal of Materials Chemistry A, 2015, 3, 24512 |
7236118 | CIF | C44 H20 F6 N8 O2 Si | P 1 21/n 1 | 10.2098; 17.6974; 10.7963 90; 117.669; 90 | 1727.7 | Lessard, Benoît H.; Grant, Trevor M.; White, Robin; Thibau, Emmanuel; Lu, Zheng-Hong; Bender, Timothy P. The position and frequency of fluorine atoms changes the electron donor/acceptor properties of fluorophenoxy silicon phthalocyanines within organic photovoltaic devices Journal of Materials Chemistry A, 2015, 3, 24512 |
7236119 | CIF | C44 H18 F8 N8 O2 Si | P -1 | 8.4175; 10.1685; 11.5194 72.562; 69.559; 81.366 | 880.3 | Lessard, Benoît H.; Grant, Trevor M.; White, Robin; Thibau, Emmanuel; Lu, Zheng-Hong; Bender, Timothy P. The position and frequency of fluorine atoms changes the electron donor/acceptor properties of fluorophenoxy silicon phthalocyanines within organic photovoltaic devices Journal of Materials Chemistry A, 2015, 3, 24512 |
7236120 | CIF | C20 H22 Cl0 N5 O11 Zn2 | C 1 2/c 1 | 27.768; 7.9; 18.298 90; 108.329; 90 | 3810.3 | Zhang, Shu-Ran; Li, Jing; Du, Dong-Ying; Qin, Jun-Sheng; Li, Shun-Li; He, Wen-Wen; Su, Zhong-Min; Lan, Ya-Qian A multifunctional microporous anionic metal‒organic framework for column-chromatographic dye separation and selective detection and adsorption of Cr3+ Journal of Materials Chemistry A, 2015, 3, 23426 |
7236145 | CIF | C32 H37 Cl N3 O5 | I 1 2/a 1 | 15.4537; 9.1572; 43.467 90; 92.602; 90 | 6144.8 | Majumder, Joydeb; Deb, Jolly; Husain, Ahmad; Jana, Siddhartha Sankar; Dastidar, Parthasarathi Cetirizine derived supramolecular topical gel in action: rational design, characterization and in vivo self-delivery application in treating skin allergy in mice Journal of Materials Chemistry B, 2015, 3, 6634 |
7236146 | CIF | C50 H82 Cl2 N6 O17 | P -1 | 10.9; 11.786; 24.64 102.078; 90.025; 113.655 | 2823 | Majumder, Joydeb; Deb, Jolly; Husain, Ahmad; Jana, Siddhartha Sankar; Dastidar, Parthasarathi Cetirizine derived supramolecular topical gel in action: rational design, characterization and in vivo self-delivery application in treating skin allergy in mice Journal of Materials Chemistry B, 2015, 3, 6634 |
7236147 | CIF | C26 H36 N4 O4 Sn | C 1 2/c 1 | 19.7987; 10.3272; 27.5213 90; 95.515; 90 | 5601.1 | Jiménez-Pérez, Víctor M.; García-López, María C.; Muñoz-Flores, Blanca M.; Chan-Navarro, Rodrigo; Berrones-Reyes, Jessica C.; Dias, H. V. Rasika; Moggio, Ivana; Arias, Eduardo; Serrano-Mireles, Jesús A.; Chavez-Reyes, Arturo New application of fluorescent organotin compounds derived from Schiff bases: synthesis, X-ray structures, photophysical properties, cytotoxicity and fluorescent bioimaging Journal of Materials Chemistry B, 2015, 3, 5731 |
7236148 | CIF | C27 H21 N3 O5 Sn | P -1 | 8.6061; 11.9693; 12.7463 105.872; 91.998; 95.725 | 1253.97 | Jiménez-Pérez, Víctor M.; García-López, María C.; Muñoz-Flores, Blanca M.; Chan-Navarro, Rodrigo; Berrones-Reyes, Jessica C.; Dias, H. V. Rasika; Moggio, Ivana; Arias, Eduardo; Serrano-Mireles, Jesús A.; Chavez-Reyes, Arturo New application of fluorescent organotin compounds derived from Schiff bases: synthesis, X-ray structures, photophysical properties, cytotoxicity and fluorescent bioimaging Journal of Materials Chemistry B, 2015, 3, 5731 |
7236149 | CIF | C30 H22 N2 O2 Sn | P 1 21/c 1 | 9.845; 8.6454; 28.744 90; 93.078; 90 | 2443 | Jiménez-Pérez, Víctor M.; García-López, María C.; Muñoz-Flores, Blanca M.; Chan-Navarro, Rodrigo; Berrones-Reyes, Jessica C.; Dias, H. V. Rasika; Moggio, Ivana; Arias, Eduardo; Serrano-Mireles, Jesús A.; Chavez-Reyes, Arturo New application of fluorescent organotin compounds derived from Schiff bases: synthesis, X-ray structures, photophysical properties, cytotoxicity and fluorescent bioimaging Journal of Materials Chemistry B, 2015, 3, 5731 |
7236150 | CIF | C26 H29 N3 O4 Sn | P -1 | 11.1871; 15.2135; 17.015 109.408; 98.162; 110.771 | 2440.4 | Jiménez-Pérez, Víctor M.; García-López, María C.; Muñoz-Flores, Blanca M.; Chan-Navarro, Rodrigo; Berrones-Reyes, Jessica C.; Dias, H. V. Rasika; Moggio, Ivana; Arias, Eduardo; Serrano-Mireles, Jesús A.; Chavez-Reyes, Arturo New application of fluorescent organotin compounds derived from Schiff bases: synthesis, X-ray structures, photophysical properties, cytotoxicity and fluorescent bioimaging Journal of Materials Chemistry B, 2015, 3, 5731 |
7236151 | CIF | C30 H21 N3 O4 Sn | P -1 | 9.9567; 10.633; 12.581 111.606; 93.531; 93.129 | 1231.7 | Jiménez-Pérez, Víctor M.; García-López, María C.; Muñoz-Flores, Blanca M.; Chan-Navarro, Rodrigo; Berrones-Reyes, Jessica C.; Dias, H. V. Rasika; Moggio, Ivana; Arias, Eduardo; Serrano-Mireles, Jesús A.; Chavez-Reyes, Arturo New application of fluorescent organotin compounds derived from Schiff bases: synthesis, X-ray structures, photophysical properties, cytotoxicity and fluorescent bioimaging Journal of Materials Chemistry B, 2015, 3, 5731 |
7236152 | CIF | C50 H46 F12 N6 P2 S2 Zn | P 1 21/c 1 | 19.299; 16.646; 16.423 90; 103.904; 90 | 5121 | Zhang, Qiong; Tian, Xiaohe; Hu, Zhangjun; Brommesson, Caroline; Wu, Jieying; Zhou, Hongping; Li, Shengli; Yang, Jiaxiang; Sun, Zhaoqi; Tian, Yupeng; Uvdal, Kajsa A series of Zn(ii) terpyridine complexes with enhanced two-photon-excited fluorescence for in vitro and in vivo bioimaging Journal of Materials Chemistry B, 2015, 3, 7213 |
7236153 | CIF | C25 H23 I2 N3 S Zn | P -1 | 14.035; 14.277; 15.099 63.305; 79.986; 84.168 | 2660.9 | Zhang, Qiong; Tian, Xiaohe; Hu, Zhangjun; Brommesson, Caroline; Wu, Jieying; Zhou, Hongping; Li, Shengli; Yang, Jiaxiang; Sun, Zhaoqi; Tian, Yupeng; Uvdal, Kajsa A series of Zn(ii) terpyridine complexes with enhanced two-photon-excited fluorescence for in vitro and in vivo bioimaging Journal of Materials Chemistry B, 2015, 3, 7213 |
7236154 | CIF | C33 H29 N3 S | P 1 21/c 1 | 38.02; 12.719; 11.416 90; 96.376; 90 | 5486 | Zhang, Qiong; Tian, Xiaohe; Hu, Zhangjun; Brommesson, Caroline; Wu, Jieying; Zhou, Hongping; Li, Shengli; Yang, Jiaxiang; Sun, Zhaoqi; Tian, Yupeng; Uvdal, Kajsa A series of Zn(ii) terpyridine complexes with enhanced two-photon-excited fluorescence for in vitro and in vivo bioimaging Journal of Materials Chemistry B, 2015, 3, 7213 |
7236155 | CIF | C25 H23 N3 S | P -1 | 8.2244; 10.228; 14.193 70.91; 81.49; 72.81 | 1076.1 | Zhang, Qiong; Tian, Xiaohe; Hu, Zhangjun; Brommesson, Caroline; Wu, Jieying; Zhou, Hongping; Li, Shengli; Yang, Jiaxiang; Sun, Zhaoqi; Tian, Yupeng; Uvdal, Kajsa A series of Zn(ii) terpyridine complexes with enhanced two-photon-excited fluorescence for in vitro and in vivo bioimaging Journal of Materials Chemistry B, 2015, 3, 7213 |
7236156 | CIF | C37 H33 F12 N9 O4 P2 Ru | C 1 2/c 1 | 39.898; 10.028; 22.1207 90; 107.029; 90 | 8462.4 | Ramu, Vadde; Ali, Firoj; Taye, Nandaraj; Garai, Bikash; Alam, Aftab; Chattopadhyay, Samit; Das, Amitava New imaging reagents for lipid dense regions in live cells and the nucleus in fixed MCF-7 cells Journal of Materials Chemistry B, 2015, 3, 7177 |
7702011 | CIF | C73 H74 Cl4 Fe N2 P2 Pt2 | C c c a :2 | 21.2184; 37.581; 17.8803 90; 90; 90 | 14258 | Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Gerber, Wilhelmus J.; Mapolie, Selwyn F. Cyclometallated platinum(II) complexes of benzylidene-2,6-di-isopropylphenylamine containing bidentate phosphines: synthesis, structural properties and reactivity studies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 1969-1981 |
7702012 | CIF | C63 H66 Cl2 N2 P2 Pt2 | P 1 21/n 1 | 12.4432; 17.0241; 26.2651 90; 96.904; 90 | 5523.5 | Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Gerber, Wilhelmus J.; Mapolie, Selwyn F. Cyclometallated platinum(II) complexes of benzylidene-2,6-di-isopropylphenylamine containing bidentate phosphines: synthesis, structural properties and reactivity studies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 1969-1981 |
7702013 | CIF | C53 H50 Cl Fe N P2 Pt | P 1 21/c 1 | 11.827; 21.12; 18.536 90; 103.533; 90 | 4501.5 | Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Gerber, Wilhelmus J.; Mapolie, Selwyn F. Cyclometallated platinum(II) complexes of benzylidene-2,6-di-isopropylphenylamine containing bidentate phosphines: synthesis, structural properties and reactivity studies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 1969-1981 |
7702014 | CIF | C48 H52 Cl N O P2 Pt | P 1 21/c 1 | 9.8055; 39.311; 11.2304 90; 101.284; 90 | 4245.2 | Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Gerber, Wilhelmus J.; Mapolie, Selwyn F. Cyclometallated platinum(II) complexes of benzylidene-2,6-di-isopropylphenylamine containing bidentate phosphines: synthesis, structural properties and reactivity studies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 1969-1981 |
7702020 | CIF | C12 H52 N6 O29 V10 | C m c e | 13.867; 18.913; 30.893 90; 90; 90 | 8102 | Pradhan, Mukul; Roy, Anindita; Sinha, Arun Kumar; Sahoo, Ramkrishna; Deb, Dibakar; Pal, Tarasankar Solid-state transformation of single precursor vanadium complex nanostructures to V₂O₅ and VO₂: catalytic activity of V₂O₅ for oxidative coupling of 2-naphthol. Dalton transactions (Cambridge, England : 2003), 2015, 44, 1889-1899 |
7702021 | CIF | C40 H20 B2 F20 N6 O8 | P 1 21/n 1 | 10.7165; 12.7361; 32.695 90; 95.618; 90 | 4441 | Melen, Rebecca L.; Stephan, Douglas W. Cycloaddition reactions of (C6F5)2BN3 with dialkyl acetylenedicarboxylates. Dalton transactions (Cambridge, England : 2003), 2015, 44, 5045-5048 |
7702022 | CIF | C30 H6 B2 F20 N6 O4 | P 1 21/c 1 | 12.5226; 13.5536; 19.7868 90; 90.769; 90 | 3358 | Melen, Rebecca L.; Stephan, Douglas W. Cycloaddition reactions of (C6F5)2BN3 with dialkyl acetylenedicarboxylates. Dalton transactions (Cambridge, England : 2003), 2015, 44, 5045-5048 |
7702023 | CIF | C27 H19 B F15 N | P 1 21/n 1 | 10.2625; 18.4212; 14.2535 90; 100.91; 90 | 2645.89 | Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W. B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines. Dalton transactions (Cambridge, England : 2003), 2015, 44, 7114-7117 |
7702024 | CIF | C28.5 H21 B Cl F15 N O | P b c n | 17.75; 16.032; 20.783 90; 90; 90 | 5914 | Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W. B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines. Dalton transactions (Cambridge, England : 2003), 2015, 44, 7114-7117 |
7702025 | CIF | C32 H21 B F15 N | P b c a | 18.886; 16.05; 19.128 90; 90; 90 | 5798 | Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W. B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines. Dalton transactions (Cambridge, England : 2003), 2015, 44, 7114-7117 |
7702026 | CIF | C30 H23 B F15 N | P n a 21 | 19.4606; 9.1786; 15.6625 90; 90; 90 | 2797.7 | Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W. B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines. Dalton transactions (Cambridge, England : 2003), 2015, 44, 7114-7117 |
7702027 | CIF | C33 H25 B F15 N O | P b c a | 17.3531; 16.1365; 22.7522 90; 90; 90 | 6371 | Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W. B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines. Dalton transactions (Cambridge, England : 2003), 2015, 44, 7114-7117 |
7702028 | CIF | C114 H72 N12 O36 Re6 | C 1 2/n 1 | 34.648; 27.6088; 14.0477 90; 101.403; 90 | 13172.6 | Nagarajaprakash, R.; Govindarajan, R.; Manimaran, Bala One-pot synthesis of oxamidato-bridged hexarhenium trigonal prisms adorned with ester functionality. Dalton transactions (Cambridge, England : 2003), 2015, 44, 11732-11740 |
7702029 | CIF | C8 H5 Cu N O9 P3 | P 1 21/c 1 | 9.0825; 18.5934; 7.8629 90; 109.352; 90 | 1252.82 | Kondo, Atsushi; Satomi, Tokuya; Azuma, Kanami; Takeda, Rie; Maeda, Kazuyuki New layered copper 1,3,5-benzenetriphosphonates pillared with N-donor ligands: their synthesis, crystal structures, and adsorption properties. Dalton transactions (Cambridge, England : 2003), 2015, 44, 12717-12725 |
7702030 | CIF | C16 H25 Cu2 N2 O15 P3 | C m c e | 28.4774; 9.4694; 18.8921 90; 90; 90 | 5094.52 | Kondo, Atsushi; Satomi, Tokuya; Azuma, Kanami; Takeda, Rie; Maeda, Kazuyuki New layered copper 1,3,5-benzenetriphosphonates pillared with N-donor ligands: their synthesis, crystal structures, and adsorption properties. Dalton transactions (Cambridge, England : 2003), 2015, 44, 12717-12725 |
7702031 | CIF | C18 H19 Cu2 N2 O15 P3 | C m c e | 33.7186; 7.9481; 20.591 90; 90; 90 | 5518.4 | Kondo, Atsushi; Satomi, Tokuya; Azuma, Kanami; Takeda, Rie; Maeda, Kazuyuki New layered copper 1,3,5-benzenetriphosphonates pillared with N-donor ligands: their synthesis, crystal structures, and adsorption properties. Dalton transactions (Cambridge, England : 2003), 2015, 44, 12717-12725 |
7702032 | CIF | C49.2 H57.8 Cl Cu3 N4.6 P6 | I -4 2 d | 25.967; 25.967; 17.976 90; 90; 90 | 12121 | Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred 1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 10245-10252 |
7702033 | CIF | C39 H57.5 Cl5 Cu5 K N6 O3.5 P3 | P 1 21/n 1 | 13.5753; 26.0211; 15.6295 90; 97.061; 90 | 5479.2 | Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred 1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 10245-10252 |
7702034 | CIF | C34.6 H45.9 Br5 Cu5 K N5.3 O P3 | C 1 2/m 1 | 19.5159; 25.8364; 13.6766 90; 127.405; 90 | 5477.94 | Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred 1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 10245-10252 |
7702035 | CIF | C28 H34 Cu5 I4 N4 P3 | P 4/n :2 | 15.5501; 15.5501; 9.3497 90; 90; 90 | 2260.81 | Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred 1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 10245-10252 |
7702036 | CIF | C35.6 H49.5 Cu7 I6 N5.5 O0.4 P3 | P -1 | 11.9259; 12.3005; 20.8887 79.096; 89.381; 64.029 | 2696.1 | Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred 1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 10245-10252 |
7702037 | CIF | C64.2 H105.3 Cl6 Cu9 N17.1 P9 | P 1 21/m 1 | 13.1219; 27.5544; 13.981 90; 95.626; 90 | 5030.7 | Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred 1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 10245-10252 |
7702038 | CIF | C33.8 H59.67 Cl6.85 Cu9.85 N1.9 P9 | F -4 3 c | 35.5021; 35.5021; 35.5021 90; 90; 90 | 44746.8 | Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred 1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 10245-10252 |
7702039 | CIF | C33.13 H58.7 Br7.1 Cu10.1 N1.57 P9 | F -4 3 c | 35.779; 35.779; 35.779 90; 90; 90 | 45802 | Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred 1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 10245-10252 |
7702040 | CIF | C44 H84 Cu7 I6 K O6 P6 | P 1 21/c 1 | 18.0501; 13.3882; 29.8992 90; 90.068; 90 | 7225.4 | Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred 1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 10245-10252 |
8000214 | CIF | C68 H46 S6 | P 1 21/c 1 | 14.1274; 7.4879; 24.8944 90; 97.826; 90 | 2608.9 | Ie, Yutaka; Tanaka, Kazunari; Tashiro, Aya; Lee, See Kei; Testai, Henrique Rosa; Yamada, Ryo; Tada, Hirokazu; Aso, Yoshio Thiophene-based Tripodal Anchor Units for Hole Transport in Single-Molecule Junctions with Gold Electrodes. The journal of physical chemistry letters, 2015, 6, 3754-3759 |
8000348 | CIF | C192 H216 Ag3.96 Au34.04 S24 | P -1 | 18.8585; 22.2711; 29.2473 96.472; 106.952; 111.124 | 10629 | Kumara, Chanaka; Gagnon, Kevin J.; Dass, Amala X-ray Crystal Structure of Au38-xAgx(SCH2CH2Ph)24 Alloy Nanomolecules. The journal of physical chemistry letters, 2015, 6, 1223-1228 |
8107630 | CIF | C2 Cd F Li2 O6 Rb | P 63/m | 4.915; 4.915; 15.45 90; 90; 120 | 323.2 | Chen, Jie; Luo, Min; Ye, Ning Crystal structure of a new alkaline-cadmium carbonate Li2RbCd(CO3)2F, C2CdFLi2O6Rb Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 1-2 |
8107631 | CIF | Co2 N4 Sr5 | P 4/n c c :2 | 8.673; 8.673; 12.443 90; 90; 90 | 935.97 | Ovchinnikov, Alexander; Höhn, Peter; Borrmann, Horst; Kazancioğlu, Monika; Kniep, Rüdiger Crystal structure of pentastrontium bis(dinitridocobaltate(I)), Sr5[CoN2]2, Co2N4Sr5 Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 3-4 |
8107632 | CIF | C16 H13 Cl3 N2 O S | P 1 21/c 1 | 10.0547; 9.8289; 16.6993 90; 90.659; 90 | 1650.23 | Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M. Crystal structure of 1-[2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl) ethyl]-1H-imidazole, C16H13Cl3N2OS Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 5-6 |
8107633 | CIF | C21 H26 Au Cl N2 | P b c a | 8.7507; 15.8341; 29.9642 90; 90; 90 | 4151.82 | Huang, Yao-Huei; Lee, Hon Man Crystal structure of chlorido-(1,3-dimesitylimidazolidin-2-ylidene-κ1C)- gold(I), C21H26AuClN2 Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 7-8 |
8107634 | CIF | C12 H14 N2 O3 S | P -1 | 7.4237; 8.7173; 11.3227 73.411; 72.173; 68.967 | 638.24 | Odame, Felix; Hosten, Eric C.; Tshentu, Zenixole R.; Betz, Richard Crystal structure of 3,5-diaza-methyl-2-methyl-6-oxo-6-phenyl-4- thioxohexanoate, at 200 K, C12H14N2O3S Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 9-10 |
8107635 | CIF | C20 H17 Co N3 O7 | C 1 2/c 1 | 27.441; 7.569; 19.961 90; 111.521; 90 | 3856.9 | Yin, Wei-Dong; Li, Gui-Lian Crystal structure of poly[aqua(1,2-bis(4-pyridyl)ethane-κ2N:N’)(4-nitro- 1,2-benzenedicarboxylate-κ3O,O’:O’’)cobalt(II)], C20H17CoN3O7 Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 11-12 |
8107636 | CIF | C9 H10 N2 O S2 | P 1 21/n 1 | 4.0727; 22.256; 11.4854 90; 98.364; 90 | 1029.99 | Madanhire, Tatenda; Abrahams, Abubak'r; Hosten, Eric C.; Betz, Richard Crystal structure of (E)-2-[(ortho-hydroxy)benzylidene]-2-(thiomethyl)- thionohydrazide, C9H10N2OS2 Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 13-14 |
8107637 | CIF | C24 H20 O4 P Re | I -4 | 12.2013; 12.2013; 7.1016 90; 90; 90 | 1057.23 | Mukiza, Janvier; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard Crystal structure of a second polymorph of tetraphenylphosphonium perrhenate(VII), at 200 K, C24H20O4PRe Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 15-16 |
8107638 | CIF | C16 H16 Cu N2 S4 | P 1 21/n 1 | 7.6067; 6.5835; 18.5042 90; 97.29; 90 | 919.18 | Onwudiwe, Damian C.; Strydom, Christien A.; Hosten, Eric C. Redetermination of the crystal structure of bis(N-methyl-N-phenyldithiocarbamato- κ2S,S’)copper(II), C16H16CuN2S4 Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 17-18 |
8107639 | CIF | C18 H12 F6 N2 O S | P 1 21/c 1 | 16.435; 12.9012; 8.6788 90; 90.007; 90 | 1840.2 | Zheng, Chunhong; Fan, Congbin; Pu, Shouzhi Crystal structure of the photochromic compound 1-(2-cyano-1,5-dimethyl- 4-pyrryl)-2-(2-methyl-5-formyl-3-thienyl)-3,3,4,4,5,5-hexafluorocyclopent- 1-ene, C18H12F6N2OS Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 19-20 |
8107640 | CIF | C13 H24 Cl N O | P -1 | 8.1836; 8.4974; 10.8493 82.291; 79.191; 69.961 | 694.2 | Hosten, Eric C.; Betz, Richard Redetermination of the crystal structure of benzyltriethylammoniumchloride monohydrate at 200 K – localization of hydrogen atoms, C13H24ClNO Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 21-22 |
8107641 | CIF | C60 H52 N4 O8 Re2 S2 | P 1 21/c 1 | 24.2146; 8.9277; 31.2847 90; 118.864; 90 | 5922.9 | Mukiza, Janvier; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard Crystal structure of bis(μ2-S-(Z)-3-(hydroxido(phenyl)methylene)-1,1- diphenyl thioureaa-κO,S,S)hexacarbonyl dirhenium(I), C60H52N4O8Re2S2 Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 23-26 |
8107642 | CIF | C3 H3 Br N2 | P 1 21/c 1 | 3.9398; 12.5823; 9.8199 90; 106.934; 90 | 465.68 | Hosten, Eric C.; Betz, Richard Crystal structure of 4-bromo-1H-imidazole, at 200 K, C3H3BrN2 Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 27-28 |
8107643 | CIF | C13 H11 Br O | P c a 21 | 6.0941; 7.3417; 24.394 90; 90; 90 | 1091.41 | Hosten, Eric C.; Betz, Richard Crystal structure of 4-bromo-4’-methoxy-biphenyl, at 200 K, C13H11BrO Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 29-30 |
8107644 | CIF | C9 H11 Ca N O6 | P b c a | 15.954; 7.7489; 17.811 90; 90; 90 | 2201.9 | Zhao, Yan; Li, Shi-Hui; Zhang, Li Crystal structure of poly[μ4-2,6-dimethyl-pyridine-3,5-dicarboxylate- κ6O,O’:O’,O’’,O’’’:O’’’] calcium(II), C9H11CaNO6 Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 31-32 |
8107645 | CIF | C8 H12 O2 | P -1 | 5.8945; 6.0522; 10.7643 101.219; 90.581; 95.445 | 374.81 | Schalekamp, Henk; Hosten, Eric C.; Betz, Richard Redetermination of the crystal structure of endo-2-carboxy-bicyclo[2.2.1]- heptane, C8H12O2 Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 33-34 |
8107646 | CIF | C79 H69 Br O8 P4 | P -1 | 8.831; 9.779; 20.4514 87.361; 78.463; 76.439 | 1682.22 | Mukiza, Janvier; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard The crystal structure of 4-bromobenzoic acid — triphenylphosphane oxide — water (1:2:1), C79H69BrO8P4 Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 35-37 |
8107647 | CIF | C33 H34 N4 O10 Re2 | I 1 2/a 1 | 20.817; 7.8774; 21.8896 90; 110.596; 90 | 3360.11 | Habarurema, Gratien; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard Crystal structure of fac-tricarbonyl-2-((E)-(3-amino-2-hydroxypropylimino) methyl)phenol rhenium(I) toluene solvate, C33H34N4O10Re2 Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 38-40 |
8107648 | CIF | C52 H72 N8 Ni2 O20 S4 | P 21 21 2 | 14.604; 18.865; 11.0673 90; 90; 90 | 3049.1 | Han, Min-Le; Du, De-Guang Crystal structure of catena[(tetraaqua-bis(μ2-(4,4'-bipyridine-κ2N:N'))- nickel(II)][(diaqua-bis(3-methyl-4-amino-benzensulphonate-κ1O)-bis(μ2- (4,4'-bipyridine-κ2N:N'))nickel(II)]—3-methyl-4-aminobenzensulphonate— ethanol (1:2:2), C52H72N8Ni2O20S4 Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 41-43 |
8107649 | CIF | C24 H21 Cl N3 O4 Re | C 1 2/c 1 | 22.178; 12.4411; 17.1519 90; 90.27; 90 | 4732.5 | Mukiza, Janvier; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard Crystal structure of tricarbonyl-chlorido-(N-(pyridin-2-yl)-N-((4-tertbutyl) benzoyl)pyridine-2-amine)rhenium(I), C24H21ClN3O4Re Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 44-46 |
8107650 | CIF | C19 H24 N4 O5 S | P 1 21/c 1 | 11.0847; 9.9392; 19.5046 90; 102.164; 90 | 2100.64 | Schmitt, Bonell; Gerber, Thomas I. A.; Hosten, Eric C; Betz, Richard Crystal structure of 1,5-bis((1E)-4-hydroxy-3-methoxybenzylidene)- thiocarbonohydrazide ethanol solvate, at 200 K, C19H24N4O5S Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 47-49 |
8107713 | CIF | C37 H62 N4 O5 S | P -1 | 10.6902; 12.9126; 15.1755 92.277; 104.928; 111.714 | 1859.08 | Bhatt, Nilay; Bhatt, Pralav; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M. Crystal structure of bis(dicyclohexylammonium) 4-(2-carboxylatophenyl)- 3,5-dimethyl-1,2,6-thiadiazin-2-ide 1,1-dioxide methanol monosolvate, C37H62N4O5S Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 53-55 |
8107714 | CIF | C24 H28 Cl N4 O3 Re | P 1 21/n 1 | 9.9185; 27.256; 10.0375 90; 109.082; 90 | 2564.42 | Schmitt, Bonell; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard Crystal structure of fac-tricarbonyl-chlorido-bis(para-N’,N’-dimethyl-κ- N-pyridyl)rhenium(I) toluene (1:1), C24H28ClN4O3Re Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 56-58 |
8107715 | CIF | C8 H6 Br2 O | P 21 21 21 | 4.0853; 9.6025; 21.989 90; 90; 90 | 862.61 | Hosten, Eric C.; Betz, Richard Redetermination of the crystal structure of p-bromophenacyl bromide at 200 K – Localization of hydrogen atoms, C8H6Br2O Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 59-60 |
8107716 | CIF | C21 H18 O4 S2 | P b c a | 8.2038; 19.881; 24.0661 90; 90; 90 | 3925.2 | Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Fun, Hoong-Kun Crystal structure of (E)-3-(4-methoxyphenyl)-1-(thiophen-2-yl)-2- tosylprop-2-en-1-one, C21H18O4S2 Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 61-62 |
8107717 | CIF | C19 H15 Br2 Cl O | P 21 21 21 | 4.501; 16.229; 24.2 90; 90; 90 | 1767.7 | Li, Shi-Hui; Zhao, Yan; Zhang, Meng-Yin Crystal structure of 3-bromo-4-(2-bromo-ethyl)-5-(4-chloro-phenyl)-2-ptolyl- furan, C19H15Br2ClO Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 63-64 |
8107718 | CIF | C18 H10 Cl2 N2 O | P -1 | 6.8195; 9.6727; 13.268 98.491; 100.571; 107.434 | 801.44 | Yanping, Yi Crystal structure of 2-benzoyl-3-(3,4-dichlorophenyl)cyclopropane-1,1- dicarbonitrile, C18H10Cl2N2O Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 65-66 |
8107719 | CIF | C10 H12 Br N3 S | P 1 21/n 1 | 8.561; 11.012; 13.214 90; 107.345; 90 | 1189.09 | Madanhire, Tatenda; Abrahams, Abubak'r; Hosten, Eric C.; Betz, Richard Crystal structure of 4-(4-bromophenyl)-1-(propan-2-ylidene)thiosemicarbazide, C10H12BrN3S Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 67-68 |
8107720 | CIF | C18 H19 Cl N4 O2 S | I 1 2/a 1 | 15.771; 11.101; 22.072 90; 101.986; 90 | 3780 | Schmitt, Bonell; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard Crystal structure of (6E)-2-[(ortho-hydroxy)benzylidene]-1-[4,5-dihydro- 5-(ortho-hydroxy-phenyl)-1,3,4-thiadiazo-2-yl-4-isoproylidenonium]- hydrazine chloride, C18H19ClN4O2S Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 69-70 |
8107721 | CIF | C14 H8 Cl2 N2 O | P 1 21/c 1 | 18.692; 5.8557; 12.575 90; 106.875; 90 | 1317.1 | Hong, Zhi; Chen, Guang; Jiang, Hua-Jiang; Chen, Ren-Er; Su, Wei-Ke Crystal structure of α-(4-(hydroxyimino)-2,5-dichloro-2,5-cyclohexadien- 1-ylidene)-benzeneacetonitrile, C14H8Cl2N2O Zeitschrift für Kristallographie - New Crystal Structures, 2015, 230, 71-72 |
9017090 | CIF | Fe1.946 O3 | I 1 2/a 1 | 7.3951; 5.0117; 5.4417 90; 95.666; 90 | 200.695 | Peterson, K. M.; Heaney, P. J.; Post, J. E.; Eng, P. J. A refined monoclinic structure for a variety of "hydrohematite" Note: T = 38 C American Mineralogist, 2015, 100, 570-579 |
9017091 | CIF | H2 O10 S Sb4 | P c a 21 | 5.7563; 11.2538; 14.8627 90; 90; 90 | 962.809 | Roper, A. J.; Leverett, P.; Murphy, T. D.; Williams, P. A.; Hibbs, D. E. Klebelsbergite, Sb4O4SO4(OH)2: Stability relationships, formation in nature, and refinement of its structure American Mineralogist, 2015, 100, 602-607 |
9017092 | CIF | Fe2.017 Mg1.983 O5 | C m c m | 2.8889; 9.7282; 12.5523 90; 90; 90 | 352.767 | Ballaran, T. B.; Uenver-Thiele L; Woodland, A. B. Complete substitution of Fe2+ by Mg in Fe4O5: The crystal structure of the Mg2Fe2O5 end-member American Mineralogist, 2015, 100, 628-632 |
9017093 | CIF | Al Li O10 Si4 | P 1 2/c 1 | 11.22955; 5.1396; 11.7514 90; 141.312; 90 | 423.952 | Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C. Petalite under pressure: Elastic behavior and phase stability Note: P = 0.0001 GPa American Mineralogist, 2015, 100, 714-721 |
9017094 | CIF | Al Li O10 Si4 | P 1 2/c 1 | 11.2067; 5.1228; 11.716 90; 141.243; 90 | 421.069 | Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C. Petalite under pressure: Elastic behavior and phase stability Note: P = 0.32 GPa American Mineralogist, 2015, 100, 714-721 |
9017095 | CIF | Al Li O10 Si4 | P 1 2/c 1 | 11.1895; 5.11; 11.6872 90; 141.19; 90 | 418.826 | Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C. Petalite under pressure: Elastic behavior and phase stability Note: P = 0.56 GPa American Mineralogist, 2015, 100, 714-721 |
9017096 | CIF | Al Li O10 Si4 | P 1 2/c 1 | 11.1705; 5.0963; 11.6569 90; 141.134; 90 | 416.413 | Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C. Petalite under pressure: Elastic behavior and phase stability Note: P = 0.89 GPa American Mineralogist, 2015, 100, 714-721 |
9017097 | CIF | Al Li O10 Si4 | P 1 2/c 1 | 11.1425; 5.0723; 11.6092 90; 141.074; 90 | 412.257 | Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C. Petalite under pressure: Elastic behavior and phase stability Note: P = 1.25 GPa American Mineralogist, 2015, 100, 714-721 |
9017098 | CIF | Al3 Li3 O30 Si12 | P 1 2/c 1 | 10.8301; 5.053; 33.59 90; 140.665; 90 | 1165.15 | Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C. Petalite under pressure: Elastic behavior and phase stability Note: P = 2.71 GPa American Mineralogist, 2015, 100, 714-721 |
9017099 | CIF | Al0.62 Ca0.11 F0.03 Fe0.486 H1.97 K0.067 Mg3.884 Mn0.01 Na2.829 O23.97 Si8 | C 1 2/m 1 | 9.8087; 17.8448; 5.2905 90; 103.66; 90 | 899.826 | Oberti, R.; Boiocchi, M.; Hawthorne, F. C.; Ball, N. A.; Harlow, G. E. Eckermannite revised: The new holotype from the Jade Mine Tract, Myanmar-crystal structure, mineral data, and hints on the reasons for the rarity of eckermannite Note: Sample AMNH H108401 American Mineralogist, 2015, 100, 909-914 |
9017100 | CIF | Ca1.39 Cl0.72 Fe0.26 H0.28 Mn3.41 O12.28 P3 | P 63/m | 9.504; 9.504; 6.347 90; 90; 120 | 496.492 | Tait, K.; Ball, N. A.; Hawthorne, F. C. Pieczkaite, ideally Mn5(PO4)3Cl, a new apatite-supergroup mineral from Cross Lake, Manitoba, Canada: Description and crystal structure American Mineralogist, 2015, 100, 1047-1052 |
9017101 | CIF | Cs0.44 H20.16 Hf0.04 K0.48 Na7.04 Nb0.08 O70.08 Si24 Y0.68 Zr3.28 | C 1 2/m 1 | 14.5975; 14.11; 14.4394 90; 90.0399; 90 | 2974.09 | Agakhanov, A. A.; Pautov, L. A.; Karpenko, V. Y.; Sokolova, E.; Abdu, Y. A.; Hawthorne, F. C.; Pekov, I. V.; Siidra, O. I. Yusupovite, Na2Zr(Si6O15)(H2O)3, a new mineral species from the Darai-Pioz alkaline massif and its implications as a new microporous filter for large ions American Mineralogist, 2015, 100, 1502-1508 |
9017102 | CIF | C Ca0.04 Mn0.96 O3 | R -3 c :H | 4.7903; 4.7903; 15.72 90; 90; 120 | 312.398 | Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p0 Note: P = .0001 GPa American Mineralogist, 2015, 100, 2625-2629 |
9017103 | CIF | C Ca0.04 Mn0.96 O3 | R -3 c :H | 4.6581; 4.6581; 14.213 90; 90; 120 | 267.075 | Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p1 Note: P = 22.50 GPa American Mineralogist, 2015, 100, 2625-2629 |
9017104 | CIF | C Ca0.04 Mn0.96 O3 | R -3 c :H | 4.6554; 4.6554; 14.149 90; 90; 120 | 265.565 | Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p2 Note: P = 23.65 GPa American Mineralogist, 2015, 100, 2625-2629 |
9017105 | CIF | C Ca0.04 Mn0.96 O3 | R -3 c :H | 4.6473; 4.6473; 14.075 90; 90; 120 | 263.257 | Merlini, M.; Hanfland, M.; Gemmi, M. The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p3 Note: P = 25.34 GPa American Mineralogist, 2015, 100, 2625-2629 |
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