Crystallography Open Database
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| 4516066 | CIF | C32 H48 F12 N3 Nb O2 | P 1 21/n 1 | 17.905; 12.0354; 19.691 90; 115.352; 90 | 3834.6 | Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols. ACS omega, 2018, 3, 6166-6181 |
| 4516067 | CIF | C41 H64 F5 N4 Nb O | P 1 21/n 1 | 11.903; 18.13; 20.798 90; 104.299; 90 | 4349 | Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols. ACS omega, 2018, 3, 6166-6181 |
| 4516068 | CIF | C72 H78 Al2 Er2 N6 O18 | C 1 2/c 1 | 27.6738; 10.7124; 24.3659 90; 94.188; 90 | 7204.05 | Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K. Butterfly M<sub>2</sub><sup>III</sup>Er<sub>2</sub> (M<sup>III</sup> = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties. ACS omega, 2018, 3, 6360-6368 |
| 4516069 | CIF | C72 H78 Er2 Fe2 N6 O18 | C 1 2/c 1 | 28.6269; 10.5683; 24.3695 90; 94.926; 90 | 7345.5 | Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K. Butterfly M<sub>2</sub><sup>III</sup>Er<sub>2</sub> (M<sup>III</sup> = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties. ACS omega, 2018, 3, 6360-6368 |
| 4516070 | CIF | C14 H19 Br O Ti | P 1 21/c 1 | 15.0669; 12.2725; 15.5128 90; 90.079; 90 | 2868.45 | Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P. Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br). ACS omega, 2018, 3, 8149-8159 |
| 4516071 | CIF | C14 H19 Cl O Ti | P b c a | 15.01162; 11.84446; 15.51368 90; 90; 90 | 2758.4 | Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P. Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br). ACS omega, 2018, 3, 8149-8159 |
| 4516072 | CIF | C9 H14 Br2 O Ti | P 1 21/c 1 | 12.9173; 16.12491; 12.6854 90; 111.141; 90 | 2464.41 | Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P. Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br). ACS omega, 2018, 3, 8149-8159 |
| 4516073 | CIF | C10.91 H12.73 Cl1.09 O0.91 Ti | P b c a | 12.489; 11.4556; 14.6289 90; 90; 90 | 2092.94 | Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P. Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br). ACS omega, 2018, 3, 8149-8159 |
| 4516074 | CIF | C12 H15 Cl O Ti | P 1 21/n 1 | 7.9901; 17.6571; 7.9779 90; 90.444; 90 | 1125.5 | Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P. Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br). ACS omega, 2018, 3, 8149-8159 |
| 4516075 | CIF | C13 H17 Cl O Ti | P n m a | 13.089; 10.6775; 9.3276 90; 90; 90 | 1303.6 | Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P. Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br). ACS omega, 2018, 3, 8149-8159 |
| 4516076 | CIF | C16 H10 F N O2 | P -1 | 7.9674; 8.6081; 10.2555 87.587; 76.718; 67.665 | 632.4 | Saraiah, Bonagiri; Gautam, Vibha; Acharya, Anand; Pasha, Mohamed Afzal; Ila, Hiriyakkanavar One-Pot Synthesis of 2-(Het)aryl/alkyl-3-cyanobenzofurans from 2-(2-Bromoaryl)-3-(het)aryl-3-(methylthio)acrylonitriles and Benzyl Carbamate. ACS omega, 2018, 3, 8355-8364 |
| 4516077 | CIF | C10 H12 N4 | I 41/a :2 | 13.7647; 13.7647; 20.651 90; 90; 90 | 3912.7 | Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu 3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling. ACS omega, 2018, 3, 7224-7234 |
| 4516078 | CIF | C10 H12 N4 | P -1 | 8.4665; 10.312; 11.9037 100.24; 103.121; 103.246 | 955.83 | Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu 3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling. ACS omega, 2018, 3, 7224-7234 |
| 4516079 | CIF | C10 H13 Cl N4 O | I 1 2/c 1 | 13.8204; 7.1084; 24.264 90; 105.34; 90 | 2298.8 | Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu 3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling. ACS omega, 2018, 3, 7224-7234 |
| 4516080 | CIF | C11 H14 N4 O | I 41/a :2 | 14.9349; 14.9349; 20.242 90; 90; 90 | 4515 | Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu 3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling. ACS omega, 2018, 3, 7224-7234 |
| 4516081 | CIF | C12 H16 N4 | P -1 | 8.6523; 11.7604; 12.8395 75.686; 82.561; 71.602 | 1199.33 | Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu 3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling. ACS omega, 2018, 3, 7224-7234 |
| 4516082 | CIF | C12 H14 N4 | I 41/a :2 | 14.81904; 14.81904; 20.4674 90; 90; 90 | 4494.72 | Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu 3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling. ACS omega, 2018, 3, 7224-7234 |
| 4516083 | CIF | C22 H18 N2 | P 1 21/n 1 | 9.7088; 11.3662; 14.8567 90; 97.069; 90 | 1627 | Salfeena, Chettiyan Thodi F.; Jalaja, Renjitha; Davis, Rincy; Suresh, Eringathodi; Somappa, Sasidhar B. Synthesis of 1,2,4-Trisubstituted-(1<i>H</i>)-imidazoles through Cu(OTf)<sub>2</sub>-/I<sub>2</sub>-Catalyzed C-C Bond Cleavage of Chalcones and Benzylamines. ACS omega, 2018, 3, 8074-8082 |
| 4516084 | CIF | C17 H16 O13 | P c a 21 | 19.3428; 6.4501; 28.2467 90; 90; 90 | 3524.14 | Tokutomi, Hisashi; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki Molecular Structure of the Photo-Oxidation Product of Ellagic Acid in Solution. ACS omega, 2018, 3, 11179-11183 |
| 4516085 | CIF | C26.67 H27 F6 N5.33 O P Ru | R 3 :H | 28.322; 28.322; 9.9011 90; 90; 120 | 6878 | Nakagawa, Yoko; Imokawa, Yusuke; Fujisawa, Ikuhide; Nakayama, Naofumi; Goto, Hitoshi; Chanthamath, Soda; Shibatomi, Kazutaka; Iwasa, Seiji Ligand Exchange Reaction on a Ru(II)-Pheox Complex as a Mechanistic Study of Catalytic Reactions. ACS omega, 2018, 3, 11286-11289 |
| 4516086 | CIF | C38 H26 N2 O6 Zn | P 1 c 1 | 15.9559; 20.5495; 9.8687 90; 105.489; 90 | 3118.3 | Dutta, Basudeb; Dey, Arka; Maity, Suvendu; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah Supramolecular Assembly of a Zn(II)-Based 1D Coordination Polymer through Hydrogen Bonding and π···π Interactions: Crystal Structure and Device Applications. ACS omega, 2018, 3, 12060-12067 |
| 4516087 | CIF | C20 H19 N3 O3 | P 1 21 1 | 6.79795; 9.9618; 12.8161 90; 98.897; 90 | 857.46 | Chennapuram, Madhu; Owolabi, Isiaka Alade; Seki, Chigusa; Okuyama, Yuko; Kwon, Eunsang; Uwai, Koji; Tokiwa, Michio; Takeshita, Mitsuhiro; Nakano, Hiroto New Hybrid-type Squaramide-Fused Amino Alcohol Organocatalyst for Enantioselective Domino Michael Addition/Cyclization Reaction of Oxoindolines with Cyclic 1,3-Diketones. ACS omega, 2018, 3, 11718-11726 |
| 4516088 | CIF | C14 H15 N O2 | P 1 21/n 1 | 12.6496; 9.9333; 19.755 90; 100.395; 90 | 2441.5 | Bai, Hairui; Liu, Fujun; Wang, Xiaojing; Wang, Ping; Huang, Chao Three-Component One-Pot Approach to Highly Efficient and Sustainable Synthesis of the Functionalized Quinolones via Linear/Branched Domino Protocols, Key Synthetic Methods for the Floxacin of Quinolone Drugs. ACS omega, 2018, 3, 11233-11251 |
| 4516089 | CIF | C32 H56 N6 Ni2 O20 | C 1 2 1 | 20.1803; 6.2496; 17.1447 90; 100.701; 90 | 2124.67 | Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K. Encapsulation of a Water Octamer Chain in a Chiral 2D Sheetlike Supramolecular Coordination Network Composed of Dinickel-Dicarboxylate Subunits. ACS omega, 2018, 3, 11062-11070 |
| 4516090 | CIF | C36 H48 Cl2 O2 S2 Ti | P 1 21/c 1 | 14.2494; 15.1062; 17.1323 90; 101.223; 90 | 3617.3 | Lapenta, Rosita; Buonerba, Antonio; Luciano, Ermanno; Della Monica, Francesco; De Nisi, Assunta; Monari, Magda; Grassi, Alfonso; Capacchione, Carmine; Milione, Stefano Phenylene-Bridged OSSO-Type Titanium Complexes in the Polymerization of Ethylene and Propylene. ACS omega, 2018, 3, 11608-11616 |
| 4516091 | CIF | C64 H40 Cl2 O12 P2 Re2 S4 | P 1 21/n 1 | 19.755; 13.633; 24.145 90; 103.603; 90 | 6320 | Procopio, Elsa Quartapelle; Dova, Davide; Cauteruccio, Silvia; Forni, Alessandra; Licandro, Emanuela; Panigati, Monica Dirhenium Coordination Complex Endowed with an Intrinsically Chiral Helical-Shaped Diphosphine Oxide. ACS omega, 2018, 3, 11649-11654 |
| 4516092 | CIF | C21 H23 N3 O | P b c n | 25.524; 13.835; 9.914 90; 90; 90 | 3500.9 | Fanna, Daniel J.; Lima, Luís M P; Craze, Alexander R.; Trinchi, Adrian; Wuhrer, Richard; Lindoy, Leonard F.; Wei, Gang; Reynolds, Jason K.; Li, Feng Ultrasensitive Colorimetric and Ratiometric Detection of Cu<sup>2+</sup>: Acid-Base Properties, Complexation, and Binding Studies. ACS omega, 2018, 3, 10471-10480 |
| 4516093 | CIF | C22 H30 N4 O2 | P -1 | 6.898; 8.2874; 9.6802 79.149; 69.618; 83.152 | 508.6 | Ghosh, Milan; Ta, Sabyasachi; Banerjee, Mahuya; Das, Debasis Metal-Ion Displacement Approach for Optical Recognition of Thorium: Application of a Molybdenum(VI) Complex for Nanomolar Determination and Enrichment of Th(IV). ACS omega, 2018, 3, 16089-16098 |
| 4516094 | CIF | C35 H51 Mo2 N6 O10 | P -1 | 12.6435; 12.8892; 13.5633 65.757; 76.834; 81.409 | 1958.5 | Ghosh, Milan; Ta, Sabyasachi; Banerjee, Mahuya; Das, Debasis Metal-Ion Displacement Approach for Optical Recognition of Thorium: Application of a Molybdenum(VI) Complex for Nanomolar Determination and Enrichment of Th(IV). ACS omega, 2018, 3, 16089-16098 |
| 4516095 | CIF | C34 H29 I N O4 | I 1 2/a 1 | 14.6664; 10.081; 40.221 90; 97.759; 90 | 5892.3 | Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration. ACS omega, 2018, 3, 15024-15034 |
| 4516096 | CIF | C36 H27 I N2 O | P 1 21/c 1 | 15.8788; 9.357; 21.2905 90; 92.12; 90 | 3161.1 | Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration. ACS omega, 2018, 3, 15024-15034 |
| 4516097 | CIF | C48 H37 I N2 O2 | P 1 21/c 1 | 11.5071; 38.741; 9.4077 90; 113.662; 90 | 3841.3 | Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration. ACS omega, 2018, 3, 15024-15034 |
| 4516098 | CIF | C67 H82 B2 Cl4 F8 N4 O4 Ru2 | P 1 21/n 1 | 10.653; 19.224; 17.802 90; 93.951; 90 | 3637.1 | César, Vincent; Mallardo, Valentina; Nano, Adela; DePeter, Sadie F.; Bastin, Stéphanie; Sournia-Saquet, Alix; Maisse-François, Aline; Lugan, Noël; Bellemin-Laponnaz, Stéphane Homo- and Heteropolymetallic Complexes of the Hybrid, Ambidentate N-Heterocyclic Carbene Ligand IMes-acac. ACS omega, 2018, 3, 15582-15591 |
| 4516099 | CIF | Cs2 Hg2 Sb2 Se6 | P -1 | 8.029; 8.869; 12.091 68.492; 84.217; 74.128 | 770.5 | Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions. ACS omega, 2018, 3, 15168-15173 |
| 4516100 | CIF | Cs2 Hg S8 Sb4 | P -1 | 7.3196; 10.6224; 11.7739 99.51; 92.06; 92.1 | 901.4 | Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions. ACS omega, 2018, 3, 15168-15173 |
| 4516101 | CIF | C0 H0 Cs2 Hg N0 O0 S8 Sb4 | P -1 | 7.3196; 10.6224; 11.7739 99.51; 92.06; 92.1 | 901.4 | Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions. ACS omega, 2018, 3, 15168-15173 |
| 4516102 | CIF | Cs2 Hg2 Sb2 Se6 | P -1 | 8.029; 8.869; 12.091 68.492; 84.217; 74.128 | 770.5 | Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions. ACS omega, 2018, 3, 15168-15173 |
| 4516103 | CIF | C46 H46 Cl6 S8 Si4 | P -1 | 11.9267; 15.095; 17.872 108.373; 105.652; 101.258 | 2798.6 | Li, Bingbing; Zhang, Sheng; Li, Lu; Ma, Zhiying; Li, Chunli; Xu, Li; Wang, Hua All-Thiophene-Based Double Helix: Synthesis, Crystal Structure, Chiroptical Property and Arylation. ACS omega, 2018, 3, 16014-16020 |
| 4516104 | CIF | C15 H18 Cu3 I6 N3 | P 1 21/m 1 | 8.804; 14.0866; 11.5559 90; 111.296; 90 | 1335.28 | Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D. Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior. ACS omega, 2018, 3, 15281-15292 |
| 4516105 | CIF | C18 H27 Cu6 I8 N3 | P 1 21/n 1 | 13.9901; 10.819; 24.0532 90; 99.243; 90 | 3593.4 | Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D. Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior. ACS omega, 2018, 3, 15281-15292 |
| 4516106 | CIF | C36 H56 Cu10 I14 N4 | P 1 21/c 1 | 10.455; 26.2454; 23.854 90; 97.093; 90 | 6495.3 | Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D. Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior. ACS omega, 2018, 3, 15281-15292 |
| 4516107 | CIF | C46 H75 Cu10 I14 N5 | C 1 2/c 1 | 33.6214; 10.7706; 25.1921 90; 124.618; 90 | 7507.5 | Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D. Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior. ACS omega, 2018, 3, 15281-15292 |
| 4516108 | CIF | C20 H29 Cl2 Cu5 I7 N3 | P 1 21/c 1 | 14.4604; 10.8225; 25.1937 90; 106.194; 90 | 3786.3 | Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D. Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior. ACS omega, 2018, 3, 15281-15292 |
| 4516109 | CIF | C20 H29 Br2 Cu5 I7 N3 | P 1 21/c 1 | 28.346; 11.4404; 24.058 90; 106.029; 90 | 7498.4 | Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D. Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior. ACS omega, 2018, 3, 15281-15292 |
| 4516110 | CIF | C18 H26 Cu3 I7 N2 | P -1 | 9.1888; 11.3217; 16.2778 73.591; 77.461; 87.998 | 1585.08 | Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D. Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior. ACS omega, 2018, 3, 15281-15292 |
| 4516111 | CIF | C22 H29 Cu5 I7 N5 | P 1 21/c 1 | 14.1523; 10.6793; 25.264 90; 104.984; 90 | 3688.5 | Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D. Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior. ACS omega, 2018, 3, 15281-15292 |
| 4516112 | CIF | C21 H33.5 Cu5 I7 N2.5 O2 | C 1 2/c 1 | 36.7069; 10.6697; 24.9824 90; 129.192; 90 | 7583.2 | Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D. Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior. ACS omega, 2018, 3, 15281-15292 |
| 4516113 | CIF | C34 H28 Br2 Cl N3 Pd | P -1 | 9.14864; 11.5032; 15.6073 72.6495; 81.6726; 72.6336 | 1493.48 | Mollar-Cuni, Andrés; Ventura-Espinosa, David; Martín, Santiago; Mayoral, Álvaro; Borja, Pilar; Mata, Jose A. Stabilization of Nanoparticles Produced by Hydrogenation of Palladium-N-Heterocyclic Carbene Complexes on the Surface of Graphene and Implications in Catalysis. ACS omega, 2018, 3, 15217-15228 |
| 4516114 | CIF | C48 H40 Co F12 N8 O8 P2 | I 41/a :2 | 12.8106; 12.8106; 30.5131 90; 90; 90 | 5007.5 | Emhoff, Kylin A.; Balaraman, Lakshmi; Simpson, Sydney R.; Stromyer, Michael L.; Kalil, Haitham F.; Beemiller, James R.; Sikatzki, Philipp; Eshelman, Teya S.; Salem, Ahmed M. H.; DeBord, Michael A.; Panzner, Matthew J.; Youngs, Wiley J.; Boyd, W. Christopher Synthesis and Characterization of Cobalt(II) <i>N</i>,<i>N</i>'-Diphenylazodioxide Complexes. ACS omega, 2018, 3, 16021-16027 |
| 4516115 | CIF | C35 H30 Cl2 Co F12 N6 O4 P2 | C 1 2/c 1 | 28.0797; 13.4393; 25.3112 90; 103.746; 90 | 9278.2 | Emhoff, Kylin A.; Balaraman, Lakshmi; Simpson, Sydney R.; Stromyer, Michael L.; Kalil, Haitham F.; Beemiller, James R.; Sikatzki, Philipp; Eshelman, Teya S.; Salem, Ahmed M. H.; DeBord, Michael A.; Panzner, Matthew J.; Youngs, Wiley J.; Boyd, W. Christopher Synthesis and Characterization of Cobalt(II) <i>N</i>,<i>N</i>'-Diphenylazodioxide Complexes. ACS omega, 2018, 3, 16021-16027 |
| 4516116 | CIF | C22 H18 Mn N4 O10 | P b c a | 7.5725; 11.9171; 24.932 90; 90; 90 | 2249.9 | Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation. ACS omega, 2018, 3, 15315-15324 |
| 4516117 | CIF | C22 H18 Co N4 O10 | P b c a | 7.4271; 11.953; 24.759 90; 90; 90 | 2198 | Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation. ACS omega, 2018, 3, 15315-15324 |
| 4516118 | CIF | C55 H47 Co2 N10 O10 | P 1 21/n 1 | 10.0616; 10.8559; 26.2066 90; 97.322; 90 | 2839.1 | Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation. ACS omega, 2018, 3, 15315-15324 |
| 4516119 | CIF | C30 H27 N O | P -1 | 8.9867; 9.0117; 14.865 99.135; 106.863; 90.159 | 1136 | Chen, Jianfeng; Tian, Jiaxin; Liu, Feng; Liu, Yong; Zhao, Guoqing; Yuan, Weicheng; Zhao, Baoguo Intramolecular Umpolung Synthesis of Exocyclic β-Amino Alcohols through Decarboxylative Amination. ACS omega, 2018, 3, 14671-14679 |
| 4516120 | CIF | C16 H14 Cl N O2 | P 21 21 21 | 4.6994; 11.1712; 25.7495 90; 90; 90 | 1351.8 | Chen, Jianfeng; Tian, Jiaxin; Liu, Feng; Liu, Yong; Zhao, Guoqing; Yuan, Weicheng; Zhao, Baoguo Intramolecular Umpolung Synthesis of Exocyclic β-Amino Alcohols through Decarboxylative Amination. ACS omega, 2018, 3, 14671-14679 |
| 4516121 | CIF | C55 H54 B Br Cl9 F4 N5 O9 P2 Pd | P 1 | 14.1735; 14.6182; 17.4983 110.609; 92.046; 100.845 | 3312.32 | Leitão, Maria Inês P S; Herrera, Federico; Petronilho, Ana N-Heterocyclic Carbenes Derived from Guanosine: Synthesis and Evidences of Their Antiproliferative Activity. ACS omega, 2018, 3, 15653-15656 |
| 4516122 | CIF | C15 H12 N2 | C 1 2/c 1 | 16.9414; 17.1524; 17.6605 90; 109.597; 90 | 4834.6 | Mohamady, Samy; Kralt, Braden; Samwel, Shery K.; Taylor, Scott D. Efficient One-Pot, Two-Component Modular Synthesis of 3,5-Disubstituted Pyrazoles. ACS omega, 2018, 3, 15566-15574 |
| 4516123 | CIF | C22 H18 N2 O3 | P b c a | 15.6529; 9.5364; 23.3615 90; 90; 90 | 3487.2 | Cai, Panyuan; Zhang, Enshen; Wu, Yinsong; Fang, Taibei; Li, Qianqian; Yang, Chen; Wang, Jian; Shang, Yongjia Ru(II)/Ir(III)-Catalyzed C-H Bond Activation/Annulation of Cyclic Amides with 1,3-Diketone-2-diazo Compounds: Facile Access to 8<i>H</i>-Isoquinolino[1,2-<i>b</i>]quinazolin-8-ones and Phthalazino[2,3-<i>a</i>]cinnoline-8,13-diones. ACS omega, 2018, 3, 14575-14584 |
| 4516124 | CIF | C21 H16 N2 O2 | P b c a | 16.3607; 8.454; 22.5078 90; 90; 90 | 3113.13 | Cai, Panyuan; Zhang, Enshen; Wu, Yinsong; Fang, Taibei; Li, Qianqian; Yang, Chen; Wang, Jian; Shang, Yongjia Ru(II)/Ir(III)-Catalyzed C-H Bond Activation/Annulation of Cyclic Amides with 1,3-Diketone-2-diazo Compounds: Facile Access to 8<i>H</i>-Isoquinolino[1,2-<i>b</i>]quinazolin-8-ones and Phthalazino[2,3-<i>a</i>]cinnoline-8,13-diones. ACS omega, 2018, 3, 14575-14584 |
| 4516125 | CIF | C39 H21 Fe N8 O2 Sn | P 1 21/c 1 | 13.9836; 20.8953; 11.0131 90; 103.717; 90 | 3126.16 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. {CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>. ACS omega, 2018, 3, 14875-14888 |
| 4516126 | CIF | C39 H21 Fe N8 O2 Sn | P -1 | 11.7126; 11.7544; 12.9014 108.604; 101.649; 105.849 | 1535.85 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. {CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>. ACS omega, 2018, 3, 14875-14888 |
| 4516127 | CIF | C47 H33 Cl Fe N8 O2 Sn | P -1 | 10.3737; 11.6856; 16.95 90.491; 91.962; 98.758 | 2029.38 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. {CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>. ACS omega, 2018, 3, 14875-14888 |
| 4516128 | CIF | C72 H47 Cl4 Fe N8 O2 Sn | P -1 | 11.6681; 16.5135; 16.9193 66.775; 86.024; 79.263 | 2943.4 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. {CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>. ACS omega, 2018, 3, 14875-14888 |
| 4516129 | CIF | C51 H33 Fe N4 O2 Sn | P -1 | 11.2634; 11.312; 14.9929 90.824; 91.078; 97.186 | 1894.66 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. {CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>. ACS omega, 2018, 3, 14875-14888 |
| 4516130 | CIF | C39 H21 Fe In N8 O2 | P 1 21/c 1 | 13.977; 21.1365; 11.0927 90; 105.033; 90 | 3164.91 | Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. {CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>. ACS omega, 2018, 3, 14875-14888 |
| 4516131 | CIF | C32 H63 Cl3 Cu2 N11 O12.5 | P b c n | 24.6695; 18.6531; 20.3858 90; 90; 90 | 9380.8 | Invernici, Michele; Ciarrocchi, Carlo; Dondi, Daniele; Fabbrizzi, Luigi; Lazzaroni, Simone; Licchelli, Maurizio; Boiocchi, Massimo; Bonizzoni, Marco Bimacrocyclic Effect in Anion Recognition by a Copper(II) Bicyclam Complex. ACS omega, 2018, 3, 15692-15701 |
| 4516132 | CIF | C23 H18 N6 | P n a 21 | 12.7702; 28.911; 5.2268 90; 90; 90 | 1929.7 | Banerji, Biswadip; Chandrasekhar, Kadaiahgari; Sreenath, Kancham; Roy, Saheli; Nag, Sayoni; Saha, Krishna Das Synthesis of Triazole-Substituted Quinazoline Hybrids for Anticancer Activity and a Lead Compound as the EGFR Blocker and ROS Inducer Agent. ACS omega, 2018, 3, 16134-16142 |
| 4516133 | CIF | C24 H14 N2 O | P 1 21/c 1 | 15.833; 6.44809; 15.5345 90; 90.5223; 90 | 1585.89 | Tabasi, Zahra A.; Younes, Eyad A.; Walsh, Joshua C.; Thompson, David W.; Bodwell, Graham J.; Zhao, Yuming Pyrenoimidazolyl-Benzaldehyde Fluorophores: Synthesis, Properties, and Sensing Function for Fluoride Anions. ACS omega, 2018, 3, 16387-16397 |
| 4516134 | CIF | C28 H26 N2 O3 S2 | P 1 21/n 1 | 13.7747; 8.1613; 22.0303 90; 102.249; 90 | 2420.25 | Tabasi, Zahra A.; Younes, Eyad A.; Walsh, Joshua C.; Thompson, David W.; Bodwell, Graham J.; Zhao, Yuming Pyrenoimidazolyl-Benzaldehyde Fluorophores: Synthesis, Properties, and Sensing Function for Fluoride Anions. ACS omega, 2018, 3, 16387-16397 |
| 4516135 | CIF | C34 H32 Cl2 Cu2 N6 P2 | P 1 21/n 1 | 13.4961; 7.3977; 17.2981 90; 108.456; 90 | 1638.22 | Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S. Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine. ACS omega, 2018, 3, 16601-16614 |
| 4516136 | CIF | C17 H16 Br Cu N3 P | P 1 21/n 1 | 13.4532; 7.4445; 17.5935 90; 106.285; 90 | 1691.34 | Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S. Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine. ACS omega, 2018, 3, 16601-16614 |
| 4516137 | CIF | C38 H38 Cu4 I4 N8 P2 | P -1 | 9.636; 10.2333; 12.8232 69.01; 81.979; 71.386 | 1118.36 | Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S. Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine. ACS omega, 2018, 3, 16601-16614 |
| 4516138 | CIF | C36 H32 Ag2 F6 N6 O6 P2 S2 | P 21 21 21 | 9.3162; 18.1124; 23.9326 90; 90; 90 | 4038.4 | Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S. Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine. ACS omega, 2018, 3, 16601-16614 |
| 4516139 | CIF | C34 H32 Ag2 B2 F8 N6 P2 | P -1 | 9.3737; 10.3726; 11.0196 108.252; 102.115; 110.351 | 890.77 | Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S. Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine. ACS omega, 2018, 3, 16601-16614 |
| 4516140 | CIF | C17 H16 Au Cl N3 P | P 1 21/c 1 | 19.4767; 8.5915; 20.9829 90; 96.19; 90 | 3490.7 | Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S. Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine. ACS omega, 2018, 3, 16601-16614 |
| 4516141 | CIF | C32 H48 Bi2 Br10 N4 | P 1 21 1 | 11.9962; 14.6765; 13.8899 90; 93.394; 90 | 2441.2 | Moon, Tae Hwan; Oh, Seung-Jin; Ok, Kang Min [((<i>R</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>] and [((<i>S</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>]: Chiral Hybrid Bismuth Bromides Templated by Chiral Organic Cations. ACS omega, 2018, 3, 17895-17903 |
| 4516142 | CIF | C32 H48 Bi2 Br10 N4 | P 1 21 1 | 11.997; 14.728; 13.94 90; 93.44; 90 | 2458.6 | Moon, Tae Hwan; Oh, Seung-Jin; Ok, Kang Min [((<i>R</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>] and [((<i>S</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>]: Chiral Hybrid Bismuth Bromides Templated by Chiral Organic Cations. ACS omega, 2018, 3, 17895-17903 |
| 4516143 | CIF | C22 H13 F2 I O2 S | P 1 21/n 1 | 15.127; 9.2725; 15.5544 90; 109.256; 90 | 2059.7 | Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates. ACS omega, 2018, 3, 18002-18015 |
| 4516144 | CIF | C22 H17 I O3 S | P n a 21 | 17.286; 8.3835; 14.2909 90; 90; 90 | 2071 | Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates. ACS omega, 2018, 3, 18002-18015 |
| 4516145 | CIF | C17 H16 Br I O3 S | P -1 | 8.3914; 10.1833; 11.436 66.578; 82.676; 85.465 | 888.96 | Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates. ACS omega, 2018, 3, 18002-18015 |
| 4516146 | CIF | C11 H16 N O13 P Pb2 S | P -1 | 8.9059; 10.388; 11.1079 64.715; 88.475; 80.124 | 914.16 | Cai, Xiao-Ou; Sun, Meng; Shao, Yu-Jing; Liu, Fang; Liu, Qun-Li; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing Two Highly Stable Luminescent Lead Phosphonates Based on Mixed Ligands: Highly Selective and Sensitive Sensing for Thymine Molecule and VO<sub>3</sub><sup>-</sup> Anion. ACS omega, 2018, 3, 16443-16452 |
| 4516147 | CIF | C17 H28 N2 O16 P2 Pb3 S | P -1 | 9.4266; 12.5779; 13.2779 100.972; 90.825; 104.333 | 1494.3 | Cai, Xiao-Ou; Sun, Meng; Shao, Yu-Jing; Liu, Fang; Liu, Qun-Li; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing Two Highly Stable Luminescent Lead Phosphonates Based on Mixed Ligands: Highly Selective and Sensitive Sensing for Thymine Molecule and VO<sub>3</sub><sup>-</sup> Anion. ACS omega, 2018, 3, 16443-16452 |
| 4516148 | CIF | C28 H32 F N O2 S | P 1 21 1 | 10.19; 6.636; 18.242 90; 104.79; 90 | 1192.7 | Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A. Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents. ACS omega, 2018, 3, 17991-18001 |
| 4516149 | CIF | C26 H28 F N O S | P 21 21 21 | 7.212; 8.116; 36.696 90; 90; 90 | 2147.9 | Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A. Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents. ACS omega, 2018, 3, 17991-18001 |
| 4516150 | CIF | C26 H28 Br N O S | P 21 21 21 | 9.5976; 37.906; 55.277 90; 90; 90 | 20110 | Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A. Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents. ACS omega, 2018, 3, 17991-18001 |
| 4516151 | CIF | C26 H28 F N O S | P 1 21 1 | 9.603; 7.0203; 15.771 90; 93.616; 90 | 1061.1 | Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A. Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents. ACS omega, 2018, 3, 17991-18001 |
| 4516152 | CIF | C22 H21 N O2 S | P 1 21/n 1 | 11.8883; 7.4114; 20.6224 90; 95.281; 90 | 1809.31 | Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N. Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes. ACS omega, 2018, 3, 17617-17628 |
| 4516153 | CIF | C28 H33 N3 O4 S | P 1 21/c 1 | 15.959; 8.47; 21.482 90; 108.034; 90 | 2761.1 | Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N. Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes. ACS omega, 2018, 3, 17617-17628 |
| 4516154 | CIF | C26 H32 N3 O4 S | P -1 | 11.08; 11.755; 11.961 63.18; 66.29; 71.29 | 1254 | Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N. Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes. ACS omega, 2018, 3, 17617-17628 |
| 4516155 | CIF | C21 H17 Cl2 N O2 | P 1 21/c 1 | 16.4194; 10.6606; 11.1508 90; 107.03; 90 | 1866.26 | Zhang, Mingming; Prior, Allan M.; Maddox, Marcus M.; Shen, Wan-Jou; Hevener, Kirk E.; Bruhn, David F.; Lee, Robin B.; Singh, Aman P.; Reinicke, Justin; Simmons, Charles J.; Hurdle, Julian G.; Lee, Richard E.; Sun, Dianqing Pharmacophore Modeling, Synthesis, and Antibacterial Evaluation of Chalcones and Derivatives. ACS omega, 2018, 3, 18343-18360 |
| 4516156 | CIF | C12 H28 I3 P Pb | P 1 21 1 | 16.077; 16.3313; 16.9952 90; 107.066; 90 | 4265.7 | Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B. Phosphonium-Templated Iodoplumbates. ACS omega, 2018, 3, 17077-17082 |
| 4516157 | CIF | C40 H39 I6 N P2 Pb2 | C 1 2/c 1 | 24.56; 13.0686; 16.1499 90; 110.037; 90 | 4869.8 | Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B. Phosphonium-Templated Iodoplumbates. ACS omega, 2018, 3, 17077-17082 |
| 4516158 | CIF | C8 H22 I6 P2 Pb2 | C 1 2/m 1 | 15.3593; 11.1506; 7.9441 90; 100.889; 90 | 1336.05 | Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B. Phosphonium-Templated Iodoplumbates. ACS omega, 2018, 3, 17077-17082 |
| 4516159 | CIF | C4 H12 I P | P 4/n m m :2 | 8.1978; 8.1978; 6.0037 90; 90; 90 | 403.47 | Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B. Phosphonium-Templated Iodoplumbates. ACS omega, 2018, 3, 17077-17082 |
| 4516160 | CIF | C4 H12 I3 P Pb | P 65 | 10.0382; 10.0382; 23.738 90; 90; 120 | 2071.5 | Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B. Phosphonium-Templated Iodoplumbates. ACS omega, 2018, 3, 17077-17082 |
| 4516161 | CIF | C27 H20 Br N3 O3 | P 1 21/n 1 | 16.097; 9.1111; 17.2334 90; 114.177; 90 | 2305.8 | Maity, Pampa; Naskar, Barnali; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Tandrima; Chaudhuri, Keya; Mukhopadhyay, Chhanda Pyrrolo[3,4-c]pyridine-Based Fluorescent Chemosensor for Fe3+/Fe2+ Sensitivity and Their Application in Living HepG2 Cells ACS Omega, 2018, 3, 18646 |
| 4516162 | CIF | C24 H18 B2 F8 N18 Ni | I a -3 d | 18.4872; 18.4872; 18.4872 90; 90; 90 | 6318.5 | Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A. Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine. ACS omega, 2018, 3, 18466-18474 |
| 4516163 | CIF | C54.25 H55.75 B3 Cu2 F12 N42.25 O13.5 | P -1 | 12.3764; 16.8545; 21.0272 107.562; 91.665; 106.956 | 3966.9 | Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A. Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine. ACS omega, 2018, 3, 18466-18474 |
| 4516164 | CIF | C26 H20 B2 F8 Fe N16 | F d d d :2 | 17.8353; 25.3177; 27.4906 90; 90; 90 | 12413.3 | Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A. Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine. ACS omega, 2018, 3, 18466-18474 |
| 4516165 | CIF | C26.9 H23.2 Cl2 Fe N16.9 O9.93 | P 1 21/n 1 | 15.2393; 31.6772; 15.9371 90; 111.945; 90 | 7136.01 | Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A. Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine. ACS omega, 2018, 3, 18466-18474 |
| 4516166 | CIF | C32 H30 N2 | C 1 2/c 1 | 34.0363; 7.9956; 18.5251 90; 97.374; 90 | 4999.7 | Dong, Chao; Dickie, Diane A.; Maio, William A.; Manz, Thomas A. Synthesis and Characterization of <i>N</i>,<i>N</i>'-Bismesityl Phenanthrene-9,10-diimine and Imine-Nitrone. ACS omega, 2018, 3, 16858-16865 |
| 4516167 | CIF | C8 H4 F3 N3 S2 | P -1 | 7.62509; 8.44847; 15.92585 104.231; 94.45; 103.15 | 958.65 | Boeré, René T Experimental and Computational Evidence for "Double Pancake Bonds": The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ<sup>2</sup>,3λ<sup>2</sup>-dithia-2,4,6-triazines. ACS omega, 2018, 3, 18170-18180 |
| 4516168 | CIF | C8 H4 F3 N5 S3 | C 1 2/c 1 | 22.90772; 4.66989; 22.2724 90; 106.678; 90 | 2282.39 | Boeré, René T Experimental and Computational Evidence for "Double Pancake Bonds": The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ<sup>2</sup>,3λ<sup>2</sup>-dithia-2,4,6-triazines. ACS omega, 2018, 3, 18170-18180 |
| 4516169 | CIF | C33 H29 N O5 S | P 1 21 1 | 10.4125; 7.9214; 17.1706 90; 100.71; 90 | 1391.59 | Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions. ACS omega, 2018, 3, 16615-16625 |
| 4516170 | CIF | C48 H38 N2 O6 S2 | P 61 | 11.977; 11.977; 47.127 90; 90; 120 | 5854.6 | Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions. ACS omega, 2018, 3, 16615-16625 |
| 4516171 | CIF | C23 H13 N O3 | P 21 21 21 | 6.2228; 16.253; 17.111 90; 90; 90 | 1730.6 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
| 4516172 | CIF | C16 H12 O | P 1 21/c 1 | 13.4246; 5.6336; 7.7042 90; 90.883; 90 | 582.59 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
| 4516173 | CIF | C21 H13 N O2 | P b c a | 7.353; 13.0226; 32.757 90; 90; 90 | 3136.7 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
| 4516174 | CIF | C19 H11 N O2 | P 1 c 1 | 5.843; 3.9026; 30.318 90; 94.535; 90 | 689.17 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
| 4516175 | CIF | C20 H14 O2 | P n a 21 | 11.0189; 5.6659; 46.0573 90; 90; 90 | 2875.45 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
| 4516176 | CIF | C17 H11 N O | P 1 n 1 | 3.8218; 5.7496; 27.25 90; 93.862; 90 | 597.43 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
| 4516177 | CIF | C18 H12 O2 | P 1 21 1 | 6.4009; 7.3211; 13.9114 90; 100.161; 90 | 641.69 | Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives. ACS omega, 2018, 3, 18542-18552 |
| 4516178 | CIF | C13 H24 N O23 P Tb2 | P 1 21/n 1 | 11.4973; 14.4173; 15.8364 90; 109.373; 90 | 2476.4 | Jiao, Cheng-Qi; Sun, Meng; Liu, Fang; Zhou, Ya-Nan; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing Terbium Oxalatophosphonate as Efficient Multiresponsive Luminescent Sensors for Chromate Anions and Tryptophan Molecules. ACS omega, 2018, 3, 16735-16742 |
| 4516179 | CIF | C23 H22 N6 | P 1 21/c 1 | 24.483; 4.4738; 19.705 90; 113.73; 90 | 1975.8 | Naik, Indravath K.; Bodapati, Ramakrishna; Sarkar, Rudraditya; Mondal, Navendu; Das, Samar K. Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing. ACS omega, 2018, 3, 3022-3035 |
| 4516180 | CIF | C16 H20 N5 O3 P | P -1 | 7.4514; 10.2478; 12.0251 74.076; 89.764; 85.604 | 880.27 | Naik, Indravath K.; Bodapati, Ramakrishna; Sarkar, Rudraditya; Mondal, Navendu; Das, Samar K. Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing. ACS omega, 2018, 3, 3022-3035 |
| 4516181 | CIF | C68 H92 N12 O20 Re4 S4 | P -1 | 13.5644; 14.7817; 23.8992 103.053; 95.08; 108.299 | 4365.7 | Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding. ACS omega, 2018, 3, 3257-3266 |
| 4516182 | CIF | C68 H56 N8 O16 Re4 S4 | P 1 21/n 1 | 20.384; 17.0684; 21.821 90; 94.39; 90 | 7570 | Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding. ACS omega, 2018, 3, 3257-3266 |
| 4516183 | CIF | C74 H70 N10 O18 Re4 S4 | P -1 | 14.247; 14.3139; 25.3456 79.388; 82.079; 84.365 | 5017.8 | Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding. ACS omega, 2018, 3, 3257-3266 |
| 4516184 | CIF | C92 H92 Fe4 N12 O20 Re4 S4 | P -1 | 13.8133; 13.9339; 14.4964 71.743; 78.559; 80.466 | 2580.96 | Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding. ACS omega, 2018, 3, 3257-3266 |
| 4516185 | CIF | C102 H96 N12 O20 Re4 S4 | P -1 | 14.9664; 17.7611; 22.4582 92.133; 101.334; 106.648 | 5580.2 | Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding. ACS omega, 2018, 3, 3257-3266 |
| 4516186 | CIF | C40 H29 Ir N6 O2 | P 1 21/c 1 | 13.305; 21.832; 12.476 90; 101.87; 90 | 3546.5 | Chandrasekhar, Vadapalli; Mahanti, Bani; Pandey, Mrituanjay D.; Narayanan, R. Suriya Cyclometalated Ir(III) Complex as a Metalloligand and a Selective Cu(II) Sensor: Synthesis and Structural Characterization of a Heterometallic Tetranuclear Ir(III)/Cu(II) Complex. ACS omega, 2018, 3, 2786-2792 |
| 4516187 | CIF | C80 H56 Cl2 Cu2 Ir2 N12 O4 | P -1 | 12.147; 12.958; 14.044 75.832; 67.388; 74.135 | 1938.5 | Chandrasekhar, Vadapalli; Mahanti, Bani; Pandey, Mrituanjay D.; Narayanan, R. Suriya Cyclometalated Ir(III) Complex as a Metalloligand and a Selective Cu(II) Sensor: Synthesis and Structural Characterization of a Heterometallic Tetranuclear Ir(III)/Cu(II) Complex. ACS omega, 2018, 3, 2786-2792 |
| 4516188 | CIF | C112 H124 Ir2 N10 O4 | P 1 21 1 | 9.0272; 29.178; 18.4176 90; 99.641; 90 | 4782.6 | Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films. ACS omega, 2018, 3, 2673-2682 |
| 4516189 | CIF | C49 H52 Ir N5 O2 | P 1 21/c 1 | 18.644; 8.9321; 25.915 90; 96.994; 90 | 4283.5 | Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films. ACS omega, 2018, 3, 2673-2682 |
| 4516190 | CIF | C98 H104 Ir2 N10 O7 | P 1 21/c 1 | 19.025; 9.09; 25.534 90; 96.237; 90 | 4390 | Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films. ACS omega, 2018, 3, 2673-2682 |
| 4516191 | CIF | C14 H11 Cl N2 | P 1 21/c 1 | 10.914; 11.6724; 9.8263 90; 106.975; 90 | 1197.3 | Dey, Amrita; Singsardar, Mukta; Sarkar, Rajib; Hajra, Alakananda Environment-Friendly Protocol for the Chlorination of Imidazoheterocycles by Chloramine-T. ACS omega, 2018, 3, 3513-3521 |
| 4516192 | CIF | Co2.44 Na9 O54 W9.56 | P 1 21/n 1 | 13.101; 17.775; 21.174 90; 93.628; 90 | 4920.9 | Thakur, Neha; Das Adhikary, Subhasis; Kumar, Mukesh; Mehta, Daisy; Padhan, Anil K.; Mandal, Debaprasad; Nagaiah, Tharamani C. Ultrasensitive and Highly Selective Electrochemical Detection of Dopamine Using Poly(ionic liquids)-Cobalt Polyoxometalate/CNT Composite. ACS omega, 2018, 3, 2966-2973 |
| 4516193 | CIF | C22 H26 N2 O | P 1 21/c 1 | 9.163; 8.368; 24.984 90; 97.39; 90 | 1900 | Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems. ACS omega, 2018, 3, 2883-2894 |
| 4516194 | CIF | C22 H25 N3 O3 | P 1 21/c 1 | 21.333; 7.865; 11.834 90; 100.552; 90 | 1952 | Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems. ACS omega, 2018, 3, 2883-2894 |
| 4516195 | CIF | C23 H28 N2 O3 S | P 1 21/c 1 | 23.398; 7.4277; 12.2111 90; 92.075; 90 | 2120.8 | Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems. ACS omega, 2018, 3, 2883-2894 |
| 4516196 | CIF | C4 H14 Cl4 N2 Pb | I m m a | 14.1404; 5.79829; 14.2252 90; 90; 90 | 1166.33 | Wu, Guanhong; Zhou, Chenkun; Ming, Wenmei; Han, Dan; Chen, Shiyou; Yang, Dong; Besara, Tiglet; Neu, Jennifer; Siegrist, Theo; Du, Mao-Hua; Ma, Biwu; Dong, Angang A One-Dimensional Organic Lead Chloride Hybrid with Excitation-Dependent Broadband Emissions ACS Energy Letters, 2018, 3, 1443 |
| 4516197 | CIF | C5.4 H22.2 I7 N3.6 O2.4 Sn2 | P 4/m | 14.62; 14.62; 6.392 90; 90; 90 | 1366.3 | Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells ACS Energy Letters, 2018, 3, 2077 |
| 4516198 | CIF | C4 H16 I4 N2 O2 Sn | P n m a | 13.0062; 19.617; 6.3852 90; 90; 90 | 1629.1 | Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells ACS Energy Letters, 2018, 3, 2077 |
| 4516199 | CIF | C4 H16 I4 N2 O2 Sn | P 1 21/c 1 | 10.1959; 9.0234; 8.9297 90; 100.36; 90 | 808.15 | Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells ACS Energy Letters, 2018, 3, 2077 |
| 4516200 | CIF | C1.4 H6.2 I3 N1.6 O0.4 Sn | R 3 :H | 8.92; 8.92; 10.934 90; 90; 120 | 753.4 | Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells ACS Energy Letters, 2018, 3, 2077 |
| 4516781 | CIF | C38 H33 Cl4 N3 O13 | P 1 | 8.2491; 10.4883; 11.6077 82.052; 77.374; 88.501 | 970.58 | Chu, Hang; Smith, Joel M.; Felding, Jakob; Baran, Phil S. Scalable Synthesis of (-)-Thapsigargin. ACS central science, 2017, 3, 47-51 |
| 4516782 | CIF | C25 H33 N O8 | P 21 21 2 | 18.9642; 11.2161; 13.5628 90; 90; 90 | 2884.87 | Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E. Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine. ACS central science, 2017, 3, 278-282 |
| 4516783 | CIF | C42 H48 B N O10 | P 1 21 1 | 8.7826; 22.1496; 10.3099 90; 109.928; 90 | 1885.5 | Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E. Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine. ACS central science, 2017, 3, 278-282 |
| 4516784 | CIF | C33 H57 N O12 | P 21 21 21 | 10.9374; 11.9604; 27.4814 90; 90; 90 | 3595 | Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E. Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine. ACS central science, 2017, 3, 278-282 |
| 4516785 | CIF | C58 H90.76 N2 O18.38 | P 32 | 20.8804; 20.8804; 11.5639 90; 90; 120 | 4366.3 | Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E. Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine. ACS central science, 2017, 3, 278-282 |
| 4516786 | CIF | C27 H15 N3 O3 | P c c n | 3.8199; 19.117; 25.488 90; 90; 90 | 1861.3 | Mamada, Masashi; Inada, Ko; Komino, Takeshi; Potscavage, Jr, William J; Nakanotani, Hajime; Adachi, Chihaya Highly Efficient Thermally Activated Delayed Fluorescence from an Excited-State Intramolecular Proton Transfer System. ACS central science, 2017, 3, 769-777 |
| 4516787 | CIF | C102 H100 B2 N6 Ni O2 | P -1 | 12.6909; 16.3914; 20.9924 81.335; 76.622; 80.613 | 4162.4 | Bunescu, Ala; Lee, Sunwoo; Li, Qian; Hartwig, John F. Catalytic Hydroxylation of Polyethylenes. ACS central science, 2017, 3, 895-903 |
| 4516788 | CIF | C22 H26 O8 | C 1 2/c 1 | 25.102; 6.0323; 28.707 90; 111.423; 90 | 4046.6 | Roach, Jeremy J.; Sasano, Yusuke; Schmid, Cullen L.; Zaidi, Saheem; Katritch, Vsevolod; Stevens, Raymond C.; Bohn, Laura M.; Shenvi, Ryan A. Dynamic Strategic Bond Analysis Yields a Ten-Step Synthesis of 20-nor-Salvinorin A, a Potent κ-OR Agonist. ACS central science, 2017, 3, 1329-1336 |
| 4516789 | CIF | C16 H22 O5 | P 1 21/n 1 | 15.183; 6.01; 36.8552 90; 95.228; 90 | 3349 | Roach, Jeremy J.; Sasano, Yusuke; Schmid, Cullen L.; Zaidi, Saheem; Katritch, Vsevolod; Stevens, Raymond C.; Bohn, Laura M.; Shenvi, Ryan A. Dynamic Strategic Bond Analysis Yields a Ten-Step Synthesis of 20-nor-Salvinorin A, a Potent κ-OR Agonist. ACS central science, 2017, 3, 1329-1336 |
| 4516951 | CIF | C29 H30 Cl N O Ru | P 21 21 21 | 9.044; 13.524; 20.436 90; 90; 90 | 2499.5 | Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>]. ACS omega, 2018, 3, 982-990 |
| 4516952 | CIF | C47 H45 F6 N O P2 Ru | P 1 21 1 | 10.5006; 17.8634; 34.4468 90; 98.1; 90 | 6396.95 | Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>]. ACS omega, 2018, 3, 982-990 |
| 4516953 | CIF | C49 H49 Cl4 F6 N O P2 Ru | P 1 21 1 | 10.429; 16.431; 14.06 90; 98.59; 90 | 2382.3 | Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>]. ACS omega, 2018, 3, 982-990 |
| 4517034 | CIF | C9.5 H13 N O2 Zn0.5 | C 1 2/c 1 | 10.994; 12.322; 15.365 90; 104.93; 90 | 2011 | Anthony, S. Philip; Raghavaiah, P.; Radhakrishnan, T. P. Extreme Molecular Orientations in a Dimorphic System: Polar/Centric and Polar/Polar Cogrowth Crystal Architectures Crystal Growth & Design, 2003, 3, 631 |
| 4517138 | CIF | C31 H33 Fe O2 P | P -1 | 9.2693; 9.4061; 15.4687 88.6025; 87.6725; 80.3371 | 1328.24 | Lanigan, Nicholas; Assoud, Abdeljalil; Wang, Xiaosong Intermolecular Interactions of CpFePPh3(CO)CO(CH2)5CH3: From a Crystalline Solid to a Supramolecular “Iron-Truss” Polymer ACS Macro Letters, 2014, 3, 1281 |
| 4517139 | CIF | C30 H31 Fe O2 P | F d d 2 | 41.3534; 64.6397; 8.1309 90; 90; 90 | 21734.5 | Lanigan, Nicholas; Assoud, Abdeljalil; Wang, Xiaosong Intermolecular Interactions of CpFePPh3(CO)CO(CH2)5CH3: From a Crystalline Solid to a Supramolecular “Iron-Truss” Polymer ACS Macro Letters, 2014, 3, 1281 |
| 4517357 | CIF | C9.5 H13 N O2 Zn0.5 | F d d 2 | 11.181; 28.583; 12.309 90; 90; 90 | 3933.8 | Anthony, S. Philip; Raghavaiah, P.; Radhakrishnan, T. P. Extreme Molecular Orientations in a Dimorphic System: Polar/Centric and Polar/Polar Cogrowth Crystal Architectures Crystal Growth & Design, 2003, 3, 631 |
| 4518396 | CIF | C110 H172 N4 O6 Si2 Zn | C 1 2/c 1 | 38.361; 15.8528; 17.6645 90; 100.831; 90 | 10550.9 | Choi, Sunghan; Kim, Chul Hoon; Baeg, Jin-Ook; Son, Ho-Jin; Pac, Chyongjin; Kang, Sang Ook Collisional Electron Transfer Route between Homogeneous Porphyrin Dye and Catalytic TiO2/Re(I) Particles for CO2 Reduction ACS Applied Energy Materials, 2020, 3, 11581-11596 |
| 5000155 | CIF | C6 H5 N O2 | P 1 21/c 1 | 3.8014; 11.6153; 12.9843 90; 94.984; 90 | 571.15 | Boese, Roland; Bläser, Dieter; Nussbaumer, Michael; Krygowski, Tadeusz Marek Low temperature crystal and molecular structure of nitrobenzene Structural Chemistry, 1992, 3, 363-368 |
| 5900002 | CIF | C H4 N2 O | P -4 21 m | 5.67; 5.67; 4.726 90; 90; 90 | 151.94 | Strukturbericht, 3, 660 |
| 5900004 | CIF | C2 H6 N2 O | P 21 21 21 | 6.89; 6.96; 8.45 90; 90; 90 | 405.21 | Strukturbericht, 3, 660 |
| 5900006 | CIF | C H5 B F3 N | P 1 21/m 1 | 5.06; 7.28; 5.81 90; 101.52; 90 | 209.71 | Geller, S.; Hoard, J. L. Structures of molecular addition compounds. I. Monomethyl amine–boron trifluoride, H~3~CH~2~N–BF~3~ Acta Crystallographica, 1950, 3, 121-129 |
| 5900007 | CIF | C2 H3 B F3 N | P n m a | 7.76; 7.2; 8.34 90; 90; 90 | 465.97 | Hoard, J. L.; Owen, T. B.; Buzzell, A.; Salmon, O. N. Structures of molecular addition compounds. II. Methyl cyanide‒boron trifluoride, H~3~CCN‒BF~3~ Acta Crystallographica, 1950, 3, 130-137 |
| 5900011 | CIF | C2 H2 I2 | P 1 21/c 1 | 4.58; 13.31; 4.58 90; 105.33; 90 | 269.26 | Strukturbericht, 3, 666 |
| 5900012 | CIF | C2 H4 I2 | P 1 21/c 1 | 4.768; 12.897; 4.784 90; 105.08; 90 | 284.05 | Strukturbericht, 3, 665 |
| 5900026 | CIF | C3 H10 Cl N | C 1 2/m 1 | 9.06; 8.58; 7.34 90; 98; 90 | 565.02 | King, M. V.; Lipscomb, W. N. The low-temperature modification of n-propyl-ammonium chloride Acta Crystallographica, 1950, 3, 227-230 |
| 5900027 | CIF | C3 H10 Cl N | P 4/n m m | 6.22; 6.22; 7.377 90; 90; 90 | 285.4 | King, M. V.; Lipscomb, W. N. The structures of the n-propylammonium halides at room temperature Acta Crystallographica, 1950, 3, 222-227 |
| 5900028 | CIF | C6 H16 N2 | P b c a | 6.94; 5.77; 19.22 90; 90; 90 | 769.64 | Binnie, W. P.; Robertson, J. M. The crystal structure of hexamethylenediamine Acta Crystallographica, 1950, 3, 424-429 |
| 5900032 | CIF | C2 H2 O4 | P c a b | 6.546; 7.847; 6.086 90; 90; 90 | 312.62 | Strukturbericht, 3, 671 |
| 5900033 | CIF | C2 H2 O4 | P 1 21/c 1 | 5.3; 6.09; 5.51 90; 115.5; 90 | 160.52 | Strukturbericht, 3, 672 |
| 5910156 | CIF | F10 Ho3 Na | P m -3 n | 5.81; 5.81; 5.81 90; 90; 90 | 196.123 | Wyckoff, R. W. G. Page 484-486 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 484-484 |
| 5910158 | CIF | O4 W Zn | P 1 2/c 1 | 4.691; 5.72; 4.925 90; 90.38; 90 | 132.147 | Wyckoff, R. W. G. Page 41-43 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 41-41 |
| 5910159 | CIF | F8 N4 P4 | P 1 21/a 1 | 7.4; 13.83; 5.16 90; 109.3; 90 | 498.407 | Wyckoff, R. W. G. Page 467 & 468 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 467-468 |
| 5910160 | CIF | O7 P2 Si | P a -3 | 7.46; 7.46; 7.46 90; 90; 90 | 415.161 | Wyckoff, R. W. G. Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 429-431 |
| 5910161 | CIF | Mn2 Ni O4 | F d -3 m :2 | 8.4028; 8.4028; 8.4028 90; 90; 90 | 593.297 | Wyckoff, R. W. G. Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-81 |
| 5910163 | CIF | Na O4 Re | I 41/a :2 | 5.362; 5.362; 11.718 90; 90; 90 | 336.905 | Wyckoff, R. W. G. Pages 19-21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 19-19 |
| 5910164 | CIF | O7 P2 Sn | P a -3 | 7.89; 7.89; 7.89 90; 90; 90 | 491.169 | Wyckoff, R. W. G. Pages 429 & 431 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 429-431 |
| 5910166 | CIF | F14 Fe3 Na5 | P 4/m n c | 7.34; 7.34; 10.38 90; 90; 90 | 559.229 | Wyckoff, R. W. G. Page 492 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 492-492 |
| 5910167 | CIF | Mn O4 Ti2 | F d -3 m :2 | 8.6; 8.6; 8.6 90; 90; 90 | 636.056 | Wyckoff, R. W. G. Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-81 |
| 5910168 | CIF | Cu O4 S | P n m a | 8.3956; 6.6982; 4.8291 90; 90; 90 | 271.566 | Wyckoff, R. W. G. Page 40 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 40-40 |
| 5910169 | CIF | Cu S4 Ti2 | F d -3 m :2 | 9.88; 9.88; 9.88 90; 90; 90 | 964.43 | Wyckoff, R. W. G. Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-81 |
| 5910170 | CIF | Cd2 Mo3 O8 | P 63 m c | 5.835; 5.835; 10.815 90; 90; 120 | 318.889 | Wyckoff, R. W. G. Page 467 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 467-467 |
| 5910171 | CIF | Ho O4 V | I 41/a m d :2 | 7.1214; 7.1214; 6.2926 90; 90; 90 | 319.125 | Wyckoff, R. W. G. Pages 15 & 17 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 15-17 |
| 5910172 | CIF | Cu2 S4 Sn | F d -3 m :2 | 10.87; 10.87; 10.87 90; 90; 90 | 1284.37 | Wyckoff, R. W. G. Page 76 & 79 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-79 |
| 5910173 | CIF | Cd O4 Rh2 | F d -3 m :2 | 8.781; 8.781; 8.781 90; 90; 90 | 677.067 | Wyckoff, R. W. G. Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-81 |
| 5910174 | CIF | Cd In2 S4 | F d -3 m :2 | 10.818; 10.818; 10.818 90; 90; 90 | 1266.02 | Wyckoff, R. W. G. Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-80 |
| 5910175 | CIF | Cl9 Cs3 V2 | P 63/m m c | 7.24; 7.24; 17.94 90; 90; 120 | 814.386 | Wyckoff, R. W. G. Page 475 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 475-475 |
| 5910176 | CIF | Cr K3 O8 | I -4 2 m | 6.7; 6.7; 7.6 90; 90; 90 | 341.164 | Wyckoff, R. W. G. Page 455 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 455-455 |
| 5910177 | CIF | Al2 Hg Se4 | I -4 | 5.708; 5.708; 10.74 90; 90; 90 | 349.923 | Wyckoff, R. W. G. Page 72 & 74 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 72-74 |
| 5910178 | CIF | Ba Cr O4 | P n m a | 9.103; 5.526; 7.337 90; 90; 90 | 369.074 | Wyckoff, R. W. G. Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 46-47 |
| 5910180 | CIF | Cl9 Cs3 Ti2 | P 63/m m c | 7.32; 7.32; 17.97 90; 90; 120 | 833.875 | Wyckoff, R. W. G. Page 475 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 475-475 |
| 5910181 | CIF | O4 Rb2 Se | P n m a | 8.01; 6.18; 10.85 90; 90; 90 | 537.095 | Wyckoff, R. W. G. Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 95-102 |
| 5910182 | CIF | As Bi O4 | I 41/a :2 | 5.08; 5.08; 11.7 90; 90; 90 | 301.935 | Wyckoff, R. W. G. Pages 19-21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 19-19 |
| 5910184 | CIF | Bi O4 Sb | C 1 2/c 1 | 5.464; 4.887; 11.81 90; 101; 90 | 309.563 | Wyckoff, R. W. G. Page 44 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 44-44 |
| 5910185 | CIF | Mg O4 Rh2 | F d -3 m :2 | 8.53; 8.53; 8.53 90; 90; 90 | 620.65 | Wyckoff, R. W. G. Page 76 & 81 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-81 |
| 5910186 | CIF | In2 Mg S4 | F d -3 m :2 | 10.708; 10.708; 10.708 90; 90; 90 | 1227.79 | Wyckoff, R. W. G. Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-80 |
| 5910187 | CIF | K O4 Tc | I 41/a :2 | 5.654; 5.654; 13.03 90; 90; 90 | 416.539 | Wyckoff, R. W. G. Pages 19-21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 19-19 |
| 5910189 | CIF | Cs F13 Sb4 | I 4/m | 9.639; 9.639; 6.785 90; 90; 90 | 630.397 | Wyckoff, R. W. G. Page 489 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 489-489 |
| 5910190 | CIF | Nb O4 Y | I 41/a :2 | 5.16; 5.16; 10.91 90; 90; 90 | 290.485 | Wyckoff, R. W. G. Pages 19, 20 & 21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 19-21 |
| 5910191 | CIF | O4 Pb Se | P n m a | 8.592; 5.63; 7.129 90; 90; 90 | 344.851 | Wyckoff, R. W. G. Pages 46 & 47 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 46-47 |
| 5910193 | CIF | Mo3 O8 Zn2 | P 63 m c | 5.775; 5.775; 9.915 90; 90; 120 | 286.37 | Wyckoff, R. W. G. Page 467 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 467-467 |
| 5910194 | CIF | Ag I O4 | I 41/a :2 | 5.374; 5.374; 12.094 90; 90; 90 | 349.273 | Wyckoff, R. W. G. Pages 19 & 21 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 19-21 |
| 5910195 | CIF | Cu Ga2 O4 | F d -3 m :2 | 8.39; 8.39; 8.39 90; 90; 90 | 590.59 | Wyckoff, R. W. G. Page 76 & 80 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 76-80 |
| 5910196 | CIF | F8 Na3 Ta | C 1 2/c 1 | 7.05; 7.05; 8.05 90; 120.55; 90 | 344.565 | Wyckoff, R. W. G. Page 456 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 456-456 |
| 5910197 | CIF | K2 O4 Te | P n m a | 7.9; 6.25; 10.5 90; 90; 90 | 518.438 | Wyckoff, R. W. G. Pages 95 & 102 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 95-102 |
| 5910198 | CIF | K3 O8 Ta | I -4 2 m | 6.78; 6.78; 7.88 90; 90; 90 | 362.231 | Wyckoff, R. W. G. Page 455 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals, 1951, 3, 455-455 |
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