Crystallography Open Database
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Searching journal of publication like 'Chemistry of Materials' volume of publication is 33
COD ID: 4003853 | |
CIF file | Formula: - C45 H59 N6 O6 S6 - Comments: Liu, Bingyong; Li, Jing; Zeng, Wenwu; Yang, Wei; Yan, Hui; Li, Da-cheng; Zhou, Yinhua; Gao, Xike; Zhang, Qing High-Performance Organic Semiconducting Polymers by a Resonance-Assisted Hydrogen Bonding Approach Chemistry of Materials 33(2) (2021) 580-588 Space group: P -1 Cell volume: 2401 Cell parameters: 4.851; 15.583; 31.935; 84.3; 89.69; 88.27; |
COD ID: 4003854 | |
CIF file | Formula: - C30 H38 Br2 N4 O4 S4 - Comments: Liu, Bingyong; Li, Jing; Zeng, Wenwu; Yang, Wei; Yan, Hui; Li, Da-cheng; Zhou, Yinhua; Gao, Xike; Zhang, Qing High-Performance Organic Semiconducting Polymers by a Resonance-Assisted Hydrogen Bonding Approach Chemistry of Materials 33(2) (2021) 580-588 Space group: P -1 Cell volume: 875.26 Cell parameters: 4.9878; 9.7409; 19.1522; 101.842; 94.838; 103.9; |
COD ID: 4003859 | |
CIF file | Formula: - C26 H30 N2 O2 S2 - Comments: Grabicki, Niklas; Dumele, Oliver; Sai, Hiroaki; Powers-Riggs, Natalia E.; Phelan, Brian T.; Sangji, M. Hussain; Chapman, Craig T.; Passarelli, James V.; Dannenhoffer, Adam J.; Wasielewski, Michael R.; Stupp, Samuel I. Polymorphism and Optoelectronic Properties in Crystalline Supramolecular Polymers Chemistry of Materials 33(2) (2021) 706-718 Space group: P -1 Cell volume: 1217.22 Cell parameters: 8.8931; 10.3264; 14.3451; 103.923; 92.734; 106.388; |
COD ID: 4003860 | |
CIF file | Formula: - C26 H30 N2 O S3 - Comments: Grabicki, Niklas; Dumele, Oliver; Sai, Hiroaki; Powers-Riggs, Natalia E.; Phelan, Brian T.; Sangji, M. Hussain; Chapman, Craig T.; Passarelli, James V.; Dannenhoffer, Adam J.; Wasielewski, Michael R.; Stupp, Samuel I. Polymorphism and Optoelectronic Properties in Crystalline Supramolecular Polymers Chemistry of Materials 33(2) (2021) 706-718 Space group: P 1 21/n 1 Cell volume: 2471.9 Cell parameters: 4.5558; 15.5895; 34.87; 90; 93.504; 90; |
COD ID: 4003861 | |
CIF file | Formula: - Mg3 Sb2 - Comments: Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure Chemistry of Materials 33(2) (2021) 567-573 Space group: P -3 m 1 Cell volume: 130.37 Cell parameters: 4.5636; 4.5636; 7.228; 90; 90; 120; |
COD ID: 4003862 | |
CIF file | Formula: - Mg3 Sb2 - Comments: Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure Chemistry of Materials 33(2) (2021) 567-573 Space group: P -3 m 1 Cell volume: 122.86 Cell parameters: 4.4808; 4.4808; 7.066; 90; 90; 120; |
COD ID: 4003863 | |
CIF file | Formula: - Mg3 Sb2 - Comments: Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure Chemistry of Materials 33(2) (2021) 567-573 Space group: P -3 m 1 Cell volume: 119.63 Cell parameters: 4.442; 4.442; 7.001; 90; 90; 120; |
COD ID: 4003864 | |
CIF file | Formula: - Mg3 Sb2 - Comments: Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure Chemistry of Materials 33(2) (2021) 567-573 Space group: C 1 2/m 1 Cell volume: 435.9 Cell parameters: 15.118; 4.2228; 7.7014; 90; 117.56; 90; |
COD ID: 4003865 | |
CIF file | Formula: - C14 H18 Cl0.77 F0.23 Mn N9 P - Comments: He, Lei; Shi, Ping-Ping; Zhao, Meng-Meng; Liu, Cai-Ming; Zhang, Wen; Ye, Qiong Emergent Chirality and Nonlinear Optical Switching in a Ferroelastic Molecular Perovskite Solid Solution Chemistry of Materials 33(2) (2021) 799-805 Space group: P 21 21 21 Cell volume: 2054.3 Cell parameters: 10.6652; 11.9991; 16.053; 90; 90; 90; |
COD ID: 4003879 | |
CIF file | Formula: - C40 H46 Co2 Ge N8 O58 W12 - Comments: Chen, Bin; Huang, You-Ren; Song, Kai-Yue; Lin, Xiang-Ling; Li, Hao-Hong; Chen, Zhi-Rong Molecular Nonvolatile Memory Based on [α-GeW12O40]4‒/Metalloviologen Hybrids Can Work at High Temperature Monitored by Chromism Chemistry of Materials 33(6) (2021) 2178-2186 Space group: P 1 Cell volume: 1846.84 Cell parameters: 11.8864; 11.9974; 13.1689; 91.86; 96.886; 97.367; |
COD ID: 4003880 | |
CIF file | Formula: - C40 H44 Co2 Ge N8 O55 W12 - Comments: Chen, Bin; Huang, You-Ren; Song, Kai-Yue; Lin, Xiang-Ling; Li, Hao-Hong; Chen, Zhi-Rong Molecular Nonvolatile Memory Based on [α-GeW12O40]4‒/Metalloviologen Hybrids Can Work at High Temperature Monitored by Chromism Chemistry of Materials 33(6) (2021) 2178-2186 Space group: P 1 Cell volume: 1838.6 Cell parameters: 11.8584; 12.082; 13.0866; 92.367; 96.922; 98.281; |
COD ID: 4003881 | |
CIF file | Formula: - Cl N Zn2 - Comments: Zhao, Xin; Lin, Chensheng; Chen, Jindong; Luo, Min; Xu, Feng; Yang, Shunda; Shi, Shuangshuang; Li, Bingxuan; Ye, Ning Halonitrides Zn2NX (X=Cl,Br): Novel Mid-Infrared Nonlinear Optical Materials Chemistry of Materials 33(4) (2021) 1462-1470 Space group: P n a 21 Cell volume: 269.5 Cell parameters: 6.137; 7.394; 5.94; 90; 90; 90; |
COD ID: 4003882 | |
CIF file | Formula: - Br N Zn2 - Comments: Zhao, Xin; Lin, Chensheng; Chen, Jindong; Luo, Min; Xu, Feng; Yang, Shunda; Shi, Shuangshuang; Li, Bingxuan; Ye, Ning Halonitrides Zn2NX (X=Cl,Br): Novel Mid-Infrared Nonlinear Optical Materials Chemistry of Materials 33(4) (2021) 1462-1470 Space group: P n a 21 Cell volume: 290.1 Cell parameters: 6.222; 7.65; 6.094; 90; 90; 90; |
COD ID: 4003883 | |
CIF file | Formula: - Cl2 Li6 O4 Si - Comments: Morscher, Alexandra; Dyer, Matthew S.; Duff, Benjamin B.; Han, Guopeng; Gamon, Jacinthe; Daniels, Luke M.; Dang, Yun; Surta, T. Wesley; Robertson, Craig M.; Blanc, Frédéric; Claridge, John B.; Rosseinsky, Matthew J. Li6SiO4Cl2: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking Chemistry of Materials 33(6) (2021) 2206-2217 Space group: P n a 21 Cell volume: 636.17 Cell parameters: 10.5204; 6.0756; 9.953; 90; 90; 90; |
COD ID: 4003884 | |
CIF file | Formula: - C32 H30 N6 S4 - Comments: Iguchi, Keitaro; Mikie, Tsubasa; Saito, Masahiko; Komeyama, Kimihiro; Seo, Takuji; Ie, Yutaka; Osaka, Itaru N-type Semiconducting Polymers Based on Dicyano Naphthobisthiadiazole: High Electron Mobility with Unfavorable Backbone Twist Chemistry of Materials 33(6) (2021) 2218-2228 Space group: P 1 21/c 1 Cell volume: 1481.9 Cell parameters: 15.465; 7.409; 13.518; 90; 106.912; 90; |
COD ID: 4003885 | |
CIF file | Formula: - C30 H32 N4 S4 - Comments: Iguchi, Keitaro; Mikie, Tsubasa; Saito, Masahiko; Komeyama, Kimihiro; Seo, Takuji; Ie, Yutaka; Osaka, Itaru N-type Semiconducting Polymers Based on Dicyano Naphthobisthiadiazole: High Electron Mobility with Unfavorable Backbone Twist Chemistry of Materials 33(6) (2021) 2218-2228 Space group: P -1 Cell volume: 1363.1 Cell parameters: 4.6536; 16.9349; 18.5594; 108.705; 94.538; 97.258; |
COD ID: 4003886 | |
CIF file | Formula: - K La Mn0.65 Te4 - Comments: Bao, Jin-Ke; Malliakas, Christos D.; Zhang, Chi; Cai, Songting; Chen, Haijie; Rettie, Alexander J. E.; Fisher, Brandon L.; Chung, Duck Young; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Quasi-Two-Dimensional Heterostructures (KM1 ‒ xTe)(LaTe3) (M = Mn and Zn) with Charge Density Waves Chemistry of Materials 33(6) (2021) 2155-2164 Space group: P m n m :1 Cell volume: 439.05 Cell parameters: 4.4815; 21.6649; 4.522; 90; 90; 90; |
COD ID: 4003887 | |
CIF file | Formula: - C10 H28 Co5 N2 O24 S2 - Comments: Perez, Jem Valerie; Sorolla, Maurice; Wang, Xiqu; Jacobson, Allan J. “Stagomé” Lattice: The Missing Member of the Star-Kagomé Family Chemistry of Materials 33(6) (2021) 2173-2177 Space group: P 1 21/n 1 Cell volume: 1414 Cell parameters: 10.9694; 8.41; 16.0703; 90; 107.488; 90; |
COD ID: 4003899 | |
CIF file | Formula: - Co4 K2 O22 V9 - Comments: Smart, Megan M.; Smith Pellizzeri, Tiffany M.; Morrison, Gregory; McMillen, Colin D.; zur Loye, Hans-Conrad; Kolis, Joseph W. Ferrite Materials Containing Kagomé Layers: Chemistry of Ba2Fe11Ge2O22 and K2Co4V9O22 Hexaferrites Chemistry of Materials 33(7) (2021) 2258-2266 Space group: P -3 m 1 Cell volume: 428.68 Cell parameters: 5.8392; 5.8392; 14.5176; 90; 90; 120; |
COD ID: 4003900 | |
CIF file | Formula: - Ba2 Fe11 Ge2 O22 - Comments: Smart, Megan M.; Smith Pellizzeri, Tiffany M.; Morrison, Gregory; McMillen, Colin D.; zur Loye, Hans-Conrad; Kolis, Joseph W. Ferrite Materials Containing Kagomé Layers: Chemistry of Ba2Fe11Ge2O22 and K2Co4V9O22 Hexaferrites Chemistry of Materials 33(7) (2021) 2258-2266 Space group: P -3 m 1 Cell volume: 423.1 Cell parameters: 5.8532; 5.8532; 14.2601; 90; 90; 120; |
COD ID: 4003901 | |
CIF file | Formula: - Bi Gd Te - Comments: Gebauer, Paul; Poddig, Hagen; Corredor-Bohorquez, Laura T.; Menshchikova, Tatiana V.; Rusinov, Igor P.; Golub, Pavlo; Caglieris, Federico; Benndorf, Christopher; Lindemann, Tobias; Chulkov, Evgueni V.; Wolter, Anja U. B.; Büchner, Bernd; Doert, Thomas; Isaeva, Anna Heavy-Atom Antiferromagnet GdBiTe: An Interplay of Magnetism and Topology in a Symmetry-Protected Topological Semimetal Chemistry of Materials 33(7) (2021) 2420-2435 Space group: P 4/n m m :1 Cell volume: 176.647 Cell parameters: 4.3706; 4.3706; 9.2475; 90; 90; 90; |
COD ID: 4003902 | |
CIF file | Formula: - Ga Li8.8 P4 - Comments: Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F. Fast Lithium-Ion Conduction in Phosphide Li9GaP4 Chemistry of Materials 33(8) (2021) 2957-2966 Space group: P -4 3 n Cell volume: 1670.59 Cell parameters: 11.8656; 11.8656; 11.8656; 90; 90; 90; |
COD ID: 4003903 | |
CIF file | Formula: - Ga Li8.85 P4 - Comments: Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F. Fast Lithium-Ion Conduction in Phosphide Li9GaP4 Chemistry of Materials 33(8) (2021) 2957-2966 Space group: P -4 3 n Cell volume: 1676.85 Cell parameters: 11.8804; 11.8804; 11.8804; 90; 90; 90; |
COD ID: 4003904 | |
CIF file | Formula: - Ga Li8.8 P4 - Comments: Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F. Fast Lithium-Ion Conduction in Phosphide Li9GaP4 Chemistry of Materials 33(8) (2021) 2957-2966 Space group: P -4 3 n Cell volume: 1669.24 Cell parameters: 11.8624; 11.8624; 11.8624; 90; 90; 90; |
COD ID: 4003905 | |
CIF file | Formula: - Ga Li8.6 P4 - Comments: Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F. Fast Lithium-Ion Conduction in Phosphide Li9GaP4 Chemistry of Materials 33(8) (2021) 2957-2966 Space group: P -4 3 n Cell volume: 1687.41 Cell parameters: 11.9053; 11.9053; 11.9053; 90; 90; 90; |
COD ID: 4003906 | |
CIF file | Formula: - Ga Li8.84 P4 - Comments: Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F. Fast Lithium-Ion Conduction in Phosphide Li9GaP4 Chemistry of Materials 33(8) (2021) 2957-2966 Space group: P -4 3 n Cell volume: 1672.62 Cell parameters: 11.8704; 11.8704; 11.8704; 90; 90; 90; |
COD ID: 4003907 | |
CIF file | Formula: - Ga Li8.81 P4 - Comments: Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F. Fast Lithium-Ion Conduction in Phosphide Li9GaP4 Chemistry of Materials 33(8) (2021) 2957-2966 Space group: P -4 3 n Cell volume: 1681.21 Cell parameters: 11.8907; 11.8907; 11.8907; 90; 90; 90; |
COD ID: 4003913 | |
CIF file | Formula: - C126 H102 Co7 O30 - Comments: Kang, Jaeun; Lee, Myung Jun; Oh, Nam Gue; Shin, Jiehye; Kwon, Seong Jung; Chun, Hyungphil; Kim, Seung-Joo; Yun, Hoseop; Jo, Hongil; Ok, Kang Min; Do, Junghwan I3O0-Type 3D Framework of Cobalt Cinnamate and Its Efficient Electrocatalytic Activity toward the Oxygen Evolution Reaction Chemistry of Materials 33(8) (2021) 2804-2813 Space group: I -4 2 d Cell volume: 23988.6 Cell parameters: 33.4671; 33.4671; 21.4175; 90; 90; 90; |
COD ID: 4003917 | |
CIF file | Formula: - Ce F2 I2 O6 - Comments: Zhang, Xiao-Han; Yang, Bing-Ping; Hu, Chun-Li; Chen, Jin; Huang, Qian-Ming; Mao, Jiang-Gao A New Anhydrous Polar Rare-Earth Iodate Fluoride, Ce(IO3)2F2, Exhibiting a Large Second-Harmonic-Generation Effect and Improved Overall Performance Chemistry of Materials 33(8) (2021) 2894-2900 Space group: P n a 21 Cell volume: 646.42 Cell parameters: 8.0451; 6.8485; 11.7325; 90; 90; 90; |
COD ID: 4003918 | |
CIF file | Formula: - C58 H57 N5 O2 S - Comments: Zhang, Di; Chen, Weilong; Zou, Jie; Luo, Jingdong Critical Role of Non-classical Intermolecular Hydrogen Bonding in Affecting the π‒π Stacking and Nonlinear Optical Properties of Tricyanofuran-Based Push‒Pull Heptamethines Chemistry of Materials 33(10) (2021) 3702-3711 Space group: P -1 Cell volume: 2408.47 Cell parameters: 9.9594; 15.4166; 17.047; 108.972; 92.537; 101.518; |
COD ID: 4003919 | |
CIF file | Formula: - C43 H47 Cl N4 O - Comments: Zhang, Di; Chen, Weilong; Zou, Jie; Luo, Jingdong Critical Role of Non-classical Intermolecular Hydrogen Bonding in Affecting the π‒π Stacking and Nonlinear Optical Properties of Tricyanofuran-Based Push‒Pull Heptamethines Chemistry of Materials 33(10) (2021) 3702-3711 Space group: P 1 21/c 1 Cell volume: 3781.25 Cell parameters: 9.0868; 20.4276; 20.6493; 90; 99.422; 90; |
COD ID: 4003920 | |
CIF file | Formula: - K2 S16 Sb10 - Comments: Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation Chemistry of Materials 33(10) (2021) 3729-3735 Space group: P 1 n 1 Cell volume: 1432.65 Cell parameters: 8.1305; 19.48; 9.0508; 90; 91.955; 90; |
COD ID: 4003921 | |
CIF file | Formula: - Cs S8 Sb5 - Comments: Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation Chemistry of Materials 33(10) (2021) 3729-3735 Space group: P 1 21/n 1 Cell volume: 1597.17 Cell parameters: 11.7811; 8.8645; 15.8103; 90; 104.688; 90; |
COD ID: 4003922 | |
CIF file | Formula: - Rb2 S16 Sb10 - Comments: Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation Chemistry of Materials 33(10) (2021) 3729-3735 Space group: P 1 n 1 Cell volume: 1451.6 Cell parameters: 8.177; 19.5619; 9.0795; 90; 91.822; 90; |
COD ID: 4003951 | |
CIF file | Formula: - C26 H20 Br2 F2 N2 Pb - Comments: Rath, Bibhuti Bhusan; Vittal, Jagadese J. Mechanical Bending and Modulation of Photoactuation Properties in a One-Dimensional Pb(II) Coordination Polymer Chemistry of Materials 33(12) (2021) 4621-4627 Space group: P 1 21/c 1 Cell volume: 1262.59 Cell parameters: 4.1746; 9.3604; 32.3368; 90; 92.283; 90; |
COD ID: 4003952 | |
CIF file | Formula: - C26 H20 Br2 F2 N2 Pb - Comments: Rath, Bibhuti Bhusan; Vittal, Jagadese J. Mechanical Bending and Modulation of Photoactuation Properties in a One-Dimensional Pb(II) Coordination Polymer Chemistry of Materials 33(12) (2021) 4621-4627 Space group: P 1 21/c 1 Cell volume: 1220.09 Cell parameters: 4.1022; 9.3957; 31.6556; 90; 90.237; 90; |
COD ID: 4003953 | |
CIF file | Formula: - As Cs0.11 Si0.95 Zn0.05 - Comments: Mark, Justin; Woo, Katherine E.; Zhu, Weidi; Ji, Bingheng; Lee, Shannon J.; Adeyemi, Adedoyin N.; Sen, Sabyasachi; Kovnir, Kirill Two-Dimensional and Three-Dimensional Tetrel-Arsenide Frameworks Templated by Li and Cs Cations Chemistry of Materials 33(12) (2021) 4586-4595 Space group: C 1 2/m 1 Cell volume: 1287.44 Cell parameters: 35.201; 3.6649; 9.9848; 90; 91.863; 90; |
COD ID: 4003954 | |
CIF file | Formula: - As7 Ge4.93 Li1.07 - Comments: Mark, Justin; Woo, Katherine E.; Zhu, Weidi; Ji, Bingheng; Lee, Shannon J.; Adeyemi, Adedoyin N.; Sen, Sabyasachi; Kovnir, Kirill Two-Dimensional and Three-Dimensional Tetrel-Arsenide Frameworks Templated by Li and Cs Cations Chemistry of Materials 33(12) (2021) 4586-4595 Space group: P 1 2/m 1 Cell volume: 577.81 Cell parameters: 10.0496; 3.7429; 15.3975; 90; 93.929; 90; |
COD ID: 4003972 | |
CIF file | Formula: - C24 H52 Cu4 I6 Na2 O15 - Comments: Huang, Jinglong; Su, Binbin; Song, Enhai; Molokeev, Maxim S.; Xia, Zhiguo Ultra-Broad-Band-Excitable Cu(I)-Based Organometallic Halide with Near-Unity Emission for Light-Emitting Diode Applications Chemistry of Materials 33(12) (2021) 4382-4389 Space group: P 1 21/c 1 Cell volume: 2348.49 Cell parameters: 11.2186; 13.7976; 15.2854; 90; 96.979; 90; |
COD ID: 4004023 | |
CIF file | Formula: - B2 Co2 Nd - Comments: Powderly, Kelly M.; Guo, Shu; Mitchell Warden, Hillary E.; Nguyen, Loi T.; Cava, R. J. Metastable β-NdCo2B2: A Triclinic Polymorph with Magnetic Ordering Chemistry of Materials 33(16) (2021) 6374-6382 Space group: P -1 Cell volume: 253.705 Cell parameters: 5.7203; 6.546; 6.7887; 86.6638; 88.7402; 89.5149; |
COD ID: 4004024 | |
CIF file | Formula: - Bi5 Na Nb4 O18 - Comments: Kim, Kisung; Lee, Min Hyung; Ok, Kang Min Structural Origin of Very Large Second-Harmonic Generation of a Layered Perovskite, Na0.5Bi2.5Nb2O9 Chemistry of Materials 33(16) (2021) 6564-6571 Space group: C m c 21 Cell volume: 748.05 Cell parameters: 24.9258; 5.4638; 5.4927; 90; 90; 90; |
COD ID: 4004025 | |
CIF file | Formula: - Hg3 P2 S8 - Comments: Chu, Yu; Wang, Peng; Zeng, Hao; Cheng, Shichao; Su, Xin; Yang, Zhihua; Li, Junjie; Pan, Shilie Hg3P2S8: A New Promising Infrared Nonlinear Optical Material with a Large Second-Harmonic Generation and a High Laser-Induced Damage Threshold Chemistry of Materials 33(16) (2021) 6514-6521 Space group: A e a 2 Cell volume: 1262 Cell parameters: 16.52; 8.223; 9.293; 90; 90; 90; |
COD ID: 4004026 | |
CIF file | Formula: - C24 H42 Ca5 O22 S2 - Comments: Yin, Yu-Jie; Zhao, He; Zhang, Lingwen; Huang, Jiaxiang; Zhang, Jian-Jun; Chen, Jun; Ni, Jun; Song, Bo; Liu, Shuqin; Duan, Chunying Color-Tunable Long-Lived Room-Temperature Phosphorescence in a Coordination Polymer Based on a Nonaromatic Ligand and Its Phosphor/Coordination Polymer-Doped Systems Chemistry of Materials 33(18) (2021) 7272-7282 Space group: P 1 21/c 1 Cell volume: 2101.32 Cell parameters: 10.3586; 12.474; 16.2912; 90; 93.407; 90; |
COD ID: 4004027 | |
CIF file | Formula: - C34 H29 Cd N9 O6 - Comments: Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction Chemistry of Materials 33(18) (2021) 7509-7517 Space group: P -1 Cell volume: 5158.5 Cell parameters: 20.5838; 15.8576; 16.9689; 84.446; 85.324; 69.545; |
COD ID: 4004028 | |
CIF file | Formula: - C40 H39 Cd N9 O7 - Comments: Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction Chemistry of Materials 33(18) (2021) 7509-7517 Space group: P 1 2/c 1 Cell volume: 5332.74 Cell parameters: 20.6808; 15.8316; 16.3301; 90; 94.133; 90; |
COD ID: 4004029 | |
CIF file | Formula: - C20 H18 N4 O - Comments: Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction Chemistry of Materials 33(18) (2021) 7509-7517 Space group: P 1 21/c 1 Cell volume: 1596.44 Cell parameters: 10.7072; 9.5189; 15.7651; 90; 96.508; 90; |
COD ID: 4004030 | |
CIF file | Formula: - C29 H20 Cd N8 O5 - Comments: Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction Chemistry of Materials 33(18) (2021) 7509-7517 Space group: P 1 2/c 1 Cell volume: 5420.88 Cell parameters: 20.3536; 15.8322; 16.8859; 90; 94.971; 90; |
COD ID: 4004031 | |
CIF file | Formula: - C32 H27 Cd N11 O6 - Comments: Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction Chemistry of Materials 33(18) (2021) 7509-7517 Space group: P -1 Cell volume: 5154.9 Cell parameters: 20.4536; 15.7247; 17.0953; 86.129; 85.252; 70.324; |
COD ID: 4004032 | |
CIF file | Formula: - C36 H30 Cd N8 O5 - Comments: Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction Chemistry of Materials 33(18) (2021) 7509-7517 Space group: P 1 2/c 1 Cell volume: 5420.88 Cell parameters: 20.3536; 15.8322; 16.8859; 90; 94.971; 90; |
COD ID: 4004033 | |
CIF file | Formula: - C19 H16 N4 - Comments: Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction Chemistry of Materials 33(18) (2021) 7509-7517 Space group: P 1 21/c 1 Cell volume: 1459.93 Cell parameters: 10.6147; 9.0978; 15.2177; 90; 96.57; 90; |
COD ID: 4004034 | |
CIF file | Formula: - C14 H10 N4 - Comments: Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction Chemistry of Materials 33(18) (2021) 7509-7517 Space group: C 1 2/c 1 Cell volume: 1064.2 Cell parameters: 26.8453; 5.7386; 7.249; 90; 107.645; 90; |
COD ID: 4004035 | |
CIF file | Formula: - C35 H28 Cd N8 O5 - Comments: Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction Chemistry of Materials 33(18) (2021) 7509-7517 Space group: P 1 2/c 1 Cell volume: 5412.91 Cell parameters: 20.488; 15.7873; 16.812; 90; 95.489; 90; |
COD ID: 4004044 | |
CIF file | Formula: - C8 H12 Cu3 N16 Na - Comments: Lu, Ying-Bing; Liao, Ya-Qing; Dong, Lu; Zhu, Shui-Dong; Wen, He-Rui; Huang, Jing; Dai, Xue-Xun; Lian, Ping; Jiang, Xiao-Ming; Li, Rong; Xie, Yong-Rong Ultra-Stable Metal–Organic Framework with Concurrent High Proton Conductivity and Fluorescence Sensing for Nitrobenzene Chemistry of Materials 33(19) (2021) 7858-7868 Space group: I 41/a c d :2 Cell volume: 7343 Cell parameters: 16.378; 16.378; 27.376; 90; 90; 90; |
COD ID: 4004045 | |
CIF file | Formula: - C41 H18 Cu2 N2 O11 - Comments: Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks Chemistry of Materials 33(20) (2021) 7964-7971 Space group: F m -3 m Cell volume: 98227 Cell parameters: 46.14; 46.14; 46.14; 90; 90; 90; |
COD ID: 4004046 | |
CIF file | Formula: - C41 H18 N2 O11 Zn2 - Comments: Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks Chemistry of Materials 33(20) (2021) 7964-7971 Space group: F m -3 m Cell volume: 100350 Cell parameters: 46.47; 46.47; 46.47; 90; 90; 90; |
COD ID: 4004047 | |
CIF file | Formula: - C41 H18 Co2 N2 O11 - Comments: Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks Chemistry of Materials 33(20) (2021) 7964-7971 Space group: F m -3 m Cell volume: 100674 Cell parameters: 46.52; 46.52; 46.52; 90; 90; 90; |
COD ID: 4004048 | |
CIF file | Formula: - Ba0.25 Ca3.42 Mg1.18 Sb11 Yb10.15 - Comments: Perez, Christopher J.; Cerretti, Giacomo; Wille, Elizabeth L. K.; Devlin, Kasey P.; Grewal, Navtej S.; Justl, Andrew P.; Wood, Maxwell; Bux, Sabah K.; Kauzlarich, Susan M. Evolution of Thermoelectric Properties in the Triple Cation Zintl Phase: Yb13–xCaxBaMgSb11 (x = 1–6) Chemistry of Materials 33(20) (2021) 8059-8069 Space group: I 41/a c d :2 Cell volume: 6141.7 Cell parameters: 16.6247; 16.6247; 22.222; 90; 90; 90; |
COD ID: 4004049 | |
CIF file | Formula: - Cr K Se2 - Comments: Song, Xiaoyu; Schneider, Sarah N.; Cheng, Guangming; Khoury, Jason F.; Jovanovic, Milena; Yao, Nan; Schoop, Leslie M. Kinetics and Evolution of Magnetism in Soft-Chemical Synthesis of CrSe2 from KCrSe2 Chemistry of Materials 33(20) (2021) 8070-8078 Space group: C 1 2/m 1 Cell volume: 185.019 Cell parameters: 6.5845; 3.8012; 7.7116; 90; 106.548; 90; |
COD ID: 4004050 | |
CIF file | Formula: - C14 H24 Cl2 Fe2 N2 O4 - Comments: Wang, Yiran; Ziebel, Michael E.; Sun, Lei; Gish, J. Tyler; Pearson, Tyler J.; Lu, Xue-Zeng; Thorarinsdottir, Agnes E.; Hersam, Mark C.; Long, Jeffrey R.; Freedman, Danna E.; Rondinelli, James M.; Puggioni, Danilo; Harris, T. David Strong Magnetocrystalline Anisotropy Arising from Metal–Ligand Covalency in a Metal–Organic Candidate for 2D Magnetic Order Chemistry of Materials 33(22) (2021) 8712-8721 Space group: P -3 1 m Cell volume: 1591.3 Cell parameters: 13.5717; 13.5717; 9.9759; 90; 90; 120; |
COD ID: 4004051 | |
CIF file | Formula: - N O2 Si Y - Comments: Kitagawa, Yuuki; Ueda, Jumpei; Fujii, Kotaro; Yashima, Masatomo; Funahashi, Shiro; Nakanishi, Takayuki; Takeda, Takashi; Hirosaki, Naoto; Hongo, Kenta; Maezono, Ryo; Tanabe, Setsuhisa Site-Selective Eu3+ Luminescence in the Monoclinic Phase of YSiO2N Chemistry of Materials 33(22) (2021) 8873-8885 Space group: C 1 2/c 1 Cell volume: 1551.5 Cell parameters: 6.9973; 12.147; 18.2554; 90; 90.7345; 90; |
COD ID: 4004052 | |
CIF file | Formula: - Cd Cl Ga9 K4 S16 - Comments: Pei, Shao-Min; Liu, Bin-Wen; Jiang, Xiao-Ming; Zou, Ya-Qian; Chen, Wen-Fa; Yan, Qiu-Nan; Guo, Guo-Cong Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations Chemistry of Materials 33(22) (2021) 8831-8837 Space group: P 1 Cell volume: 739.49 Cell parameters: 8.4328; 9.8807; 9.9005; 68.215; 74.887; 84.956; |
COD ID: 4004053 | |
CIF file | Formula: - Cd Cl Ga9 K4 Se16 - Comments: Pei, Shao-Min; Liu, Bin-Wen; Jiang, Xiao-Ming; Zou, Ya-Qian; Chen, Wen-Fa; Yan, Qiu-Nan; Guo, Guo-Cong Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations Chemistry of Materials 33(22) (2021) 8831-8837 Space group: P 1 Cell volume: 836.01 Cell parameters: 8.772; 10.2955; 10.3146; 68.356; 74.92; 84.93; |
COD ID: 4004054 | |
CIF file | Formula: - C45 H46 Co6 O34 - Comments: Qazvini, Omid T.; Scott, Victoria-Jayne; Bondorf, Linda; Ducamp, Maxime; Hirscher, Michael; Coudert, François-Xavier; Telfer, Shane G. Flexibility of a Metal–Organic Framework Enhances Gas Separation and Enables Quantum Sieving Chemistry of Materials 33(22) (2021) 8886-8894 Space group: P 21 21 2 Cell volume: 7082 Cell parameters: 22.57; 28.68; 10.94; 90; 90; 90; |
COD ID: 4004055 | |
CIF file | Formula: - Mn2 Na6 O24 P6 Ti2 - Comments: Snarskis, G; Pilipavicius, J; Gryaznov, D; Mikoliunaite, L; Vilciauskas, L Peculiarities of Phase Formation in Mn-based NASICON Systems: The Case of Na1+2xMnxTi2-x(PO4)3(0.0<=x<=1.5) Chemistry of Materials 33 (2021) 8394-8403 Space group: C 1 2 1 Cell volume: 984.1 Cell parameters: 15.2567; 8.8952; 8.8314; 90; 124.806; 90; |
COD ID: 4004056 | |
CIF file | Formula: - C185 H278 Ag43 K N6 O112 P5 W30 - Comments: Zhang, Shan-Shan; Chen, Jing-Yi; Li, Kai; Yuan, Jun-Di; Su, Hai-Feng; Wang, Zhi; Kurmoo, Mohamedally; Li, Ying-Zhou; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di; Zheng, Lansun Janus Cluster: Asymmetric Coverage of a Ag43 Cluster on the Symmetric Preyssler P5W30 Polyoxometalate Chemistry of Materials 33(24) (2021) 9708-9714 Space group: P -1 Cell volume: 16579.2 Cell parameters: 21.7545; 23.2675; 35.6129; 92.351; 98.585; 110.774; |
COD ID: 4004057 | |
CIF file | Formula: - Ag0.28 Mn0.86 Sb2 Yb2 - Comments: Liu, Kefeng; Liu, Jian; Liu, Qian; Wang, Qiqi; Yu, Fang; Liu, Xiao-Cun; Xia, Sheng-Qing Phase Transitions, Structure Evolution, and Thermoelectric Properties Based on A2MnSb2 (A = Ca, Yb) Chemistry of Materials 33(24) (2021) 9732-9740 Space group: P 63 m c Cell volume: 143.85 Cell parameters: 4.654; 4.654; 7.6686; 90; 90; 120; |
COD ID: 4004058 | |
CIF file | Formula: - Ag0.58 Ca2 Mn0.71 Sb2 - Comments: Liu, Kefeng; Liu, Jian; Liu, Qian; Wang, Qiqi; Yu, Fang; Liu, Xiao-Cun; Xia, Sheng-Qing Phase Transitions, Structure Evolution, and Thermoelectric Properties Based on A2MnSb2 (A = Ca, Yb) Chemistry of Materials 33(24) (2021) 9732-9740 Space group: P 63 m c Cell volume: 147.2 Cell parameters: 4.6848; 4.6848; 7.7443; 90; 90; 120; |
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