Crystallography Open Database

Result : There are 122 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

Searching journal of publication like 'Chemistry of Materials' volume of publication is 25

COD ID: 4001713
CIF file Formula: - C28 H42 N2 S4 Sn -
Comments: Ramasamy, Karthik; Kuznetsov, Vladimir L.; Gopal, Kandasamy; Malik, Mohammad A.; Raftery, James; Edwards, Peter P.; O'Brien, Paul Organotin Dithiocarbamates: Single-Source Precursors for Tin Sulfide Thin Films by Aerosol-Assisted Chemical Vapor Deposition (AACVD) Chemistry of Materials 25(3) (2013) 266-276
Space group: C 1 2/c 1
Cell volume: 8987.3
Cell parameters: 27.282; 17.7669; 18.6716; 90; 96.77; 90;  

COD ID: 4001714
CIF file Formula: - C20 H42 N2 S4 Sn -
Comments: Ramasamy, Karthik; Kuznetsov, Vladimir L.; Gopal, Kandasamy; Malik, Mohammad A.; Raftery, James; Edwards, Peter P.; O'Brien, Paul Organotin Dithiocarbamates: Single-Source Precursors for Tin Sulfide Thin Films by Aerosol-Assisted Chemical Vapor Deposition (AACVD) Chemistry of Materials 25(3) (2013) 266-276
Space group: C 1 2/c 1
Cell volume: 2728.8
Cell parameters: 21.936; 7.164; 21.873; 90; 127.452; 90;  

COD ID: 4001715
CIF file Formula: - C26 H51 N2 S4 Sn -
Comments: Ramasamy, Karthik; Kuznetsov, Vladimir L.; Gopal, Kandasamy; Malik, Mohammad A.; Raftery, James; Edwards, Peter P.; O'Brien, Paul Organotin Dithiocarbamates: Single-Source Precursors for Tin Sulfide Thin Films by Aerosol-Assisted Chemical Vapor Deposition (AACVD) Chemistry of Materials 25(3) (2013) 266-276
Space group: P 1 21/n 1
Cell volume: 6705
Cell parameters: 20.345; 9.597; 34.35; 90; 91.27; 90;  

COD ID: 4001716
CIF file Formula: - C48 H50 N2 O2 S4 -
Comments: Cai, Zhengxu; Guo, Yunlong; Yang, Sifen; Peng, Qian; Luo, Hewei; Liu, Zitong; Zhang, Guanxin; Liu, Yunqi; Zhang, Deqing New Donor‒Acceptor‒Donor Molecules with Pechmann Dye as the Core Moiety for Solution-Processed Good-Performance Organic Field-Effect Transistors Chemistry of Materials 25(3) (2013) 471
Space group: P -1
Cell volume: 1026.2
Cell parameters: 9.629; 9.9; 12.559; 74.57; 84.4; 62.82;  

COD ID: 4001717
CIF file Formula: - C48 H50 N2 O4 S2 -
Comments: Cai, Zhengxu; Guo, Yunlong; Yang, Sifen; Peng, Qian; Luo, Hewei; Liu, Zitong; Zhang, Guanxin; Liu, Yunqi; Zhang, Deqing New Donor‒Acceptor‒Donor Molecules with Pechmann Dye as the Core Moiety for Solution-Processed Good-Performance Organic Field-Effect Transistors Chemistry of Materials 25(3) (2013) 471
Space group: P -1
Cell volume: 1007.7
Cell parameters: 9.5525; 9.7452; 12.66; 73.02; 83.17; 63.39;  

COD ID: 4001718
CIF file Formula: - Al9 K O14 -
Comments: Lazic, Biljana; Krüger, Hannes; Kaindl, Reinhard; Perfler, Lukas; Kremenović, Aleksandar; Cvetković, Vladica; Withers, Ray L. Superstructure of Mullite-type KAl9O14 Chemistry of Materials 25(3) (2013) 496
Space group: P 1 21/n 1
Cell volume: 517.5
Cell parameters: 8.188; 7.676; 8.7944; 90; 110.57; 90;  

COD ID: 4001754
CIF file Formula: - C22 H36 Co N4 O14 S2 -
Comments: Fei, Honghan; Han, Cari S.; Robins, Jeremy C.; Oliver, Scott R. J. A Cationic Metal‒Organic Solid Solution Based on Co(II) and Zn(II) for Chromate Trapping Chemistry of Materials 25(5) (2013) 647
Space group: P 1 21/n 1
Cell volume: 1493.9
Cell parameters: 11.751; 6.8398; 18.669; 90; 95.385; 90;  

COD ID: 4001755
CIF file Formula: - C11 H18 N2 O7 S Zn0.5 -
Comments: Fei, Honghan; Han, Cari S.; Robins, Jeremy C.; Oliver, Scott R. J. A Cationic Metal‒Organic Solid Solution Based on Co(II) and Zn(II) for Chromate Trapping Chemistry of Materials 25(5) (2013) 647
Space group: P 1 21/n 1
Cell volume: 1497.8
Cell parameters: 11.7309; 6.8571; 18.701; 90; 95.331; 90;  

COD ID: 4001756
CIF file Formula: - C15 H16 N2 Ni O6 -
Comments: Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks Chemistry of Materials 25(7) (2013) 1047
Space group: P -6 2 m
Cell volume: 1684.1
Cell parameters: 16.666; 16.666; 7.0012; 90; 90; 120;  

COD ID: 4001757
CIF file Formula: - C31.67 H31.67 N4 Ni2 O12.67 -
Comments: Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks Chemistry of Materials 25(7) (2013) 1047
Space group: P 3
Cell volume: 4318
Cell parameters: 16.586; 16.586; 18.124; 90; 90; 120;  

COD ID: 4001758
CIF file Formula: - C34 H28 N4 Ni2 O12 -
Comments: Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks Chemistry of Materials 25(7) (2013) 1047
Space group: P 3
Cell volume: 4359.7
Cell parameters: 16.634; 16.634; 18.194; 90; 90; 120;  

COD ID: 4001759
CIF file Formula: - C7 F N2 O24 Si12 -
Comments: Rojas, Alex; San-Roman, María Luisa; Zicovich-Wilson, Claudio M.; Camblor, Miguel A. Host‒Guest Stabilization of a Zeolite Strained Framework: In Situ Transformation of Zeolite MTW into the Less Dense and More Strained ITW Chemistry of Materials 25(5) (2013) 729
Space group: C 1 m 1
Cell volume: 1331.41
Cell parameters: 10.498797; 14.91631; 8.846944; 90; 106.057; 90;  

COD ID: 4001760
CIF file Formula: - Nd9.468 O26 Si6 -
Comments: An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J. Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes Chemistry of Materials 25(7) (2013) 1109
Space group: P 63/m
Cell volume: 554.191
Cell parameters: 9.5507; 9.5507; 7.0155; 90; 90; 120;  

COD ID: 4001761
CIF file Formula: - Al0.5 Nd9.772 O26 Si5.5 -
Comments: An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J. Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes Chemistry of Materials 25(7) (2013) 1109
Space group: P 63/m
Cell volume: 558.115
Cell parameters: 9.5567; 9.5567; 7.0563; 90; 90; 120;  

COD ID: 4001762
CIF file Formula: - Al Nd9.782 O26 Si5 -
Comments: An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J. Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes Chemistry of Materials 25(7) (2013) 1109
Space group: P 63/m
Cell volume: 557.488
Cell parameters: 9.5537; 9.5537; 7.0528; 90; 90; 120;  

COD ID: 4001763
CIF file Formula: - Al1.5 Nd9.924 O26 Si4.5 -
Comments: An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J. Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes Chemistry of Materials 25(7) (2013) 1109
Space group: P 63/m
Cell volume: 559.014
Cell parameters: 9.5604; 9.5604; 7.0622; 90; 90; 120;  

COD ID: 4001764
CIF file Formula: - Nd9.348 O26 Si6 -
Comments: An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J. Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes Chemistry of Materials 25(7) (2013) 1109
Space group: P 63/m
Cell volume: 555.157
Cell parameters: 9.5567; 9.5567; 7.0189; 90; 90; 120;  

COD ID: 4001765
CIF file Formula: - Al0.5 Nd9.508 O26 Si5.5 -
Comments: An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J. Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes Chemistry of Materials 25(7) (2013) 1109
Space group: P 63/m
Cell volume: 555.35
Cell parameters: 9.5516; 9.5516; 7.0288; 90; 90; 120;  

COD ID: 4001766
CIF file Formula: - C39 H27 Cl14 Fe -
Comments: Guasch, Judith; Grisanti, Luca; Jung, Stefan; Morales, Dayana; D’Avino, Gabriele; Souto, Manuel; Fontrodona, Xavier; Painelli, Anna; Renz, Franz; Ratera, Imma; Veciana, Jaume Bistability of Fc-PTM-Based Dyads: The Role of the Donor Strength Chemistry of Materials 25(5) (2013) 808
Space group: P -1
Cell volume: 2289
Cell parameters: 8.771; 15.632; 17.623; 71.72; 86.96; 86.73;  

COD ID: 4001767
CIF file Formula: - Ga2 O4 Zn -
Comments: Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4 Chemistry of Materials 25(9) (2013) 1600
Space group: F d -3 m :2
Cell volume: 578.855
Cell parameters: 8.33406; 8.33406; 8.33406; 90; 90; 90;  

COD ID: 4001768
CIF file Formula: - Ga1.8 Ge0.1 O4 Zn1.1 -
Comments: Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4 Chemistry of Materials 25(9) (2013) 1600
Space group: F d -3 m :2
Cell volume: 579.395
Cell parameters: 8.33665; 8.33665; 8.33665; 90; 90; 90;  

COD ID: 4001769
CIF file Formula: - Ga1.5 Ge0.25 O4 Zn1.25 -
Comments: Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4 Chemistry of Materials 25(9) (2013) 1600
Space group: F d -3 m :2
Cell volume: 580.334
Cell parameters: 8.34115; 8.34115; 8.34115; 90; 90; 90;  

COD ID: 4001770
CIF file Formula: - Ga Ge0.5 O4 Zn1.5 -
Comments: Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4 Chemistry of Materials 25(9) (2013) 1600
Space group: F d -3 m :2
Cell volume: 582.285
Cell parameters: 8.35049; 8.35049; 8.35049; 90; 90; 90;  

COD ID: 4001771
CIF file Formula: - C4 H8 Dy K O12 -
Comments: Mohapatra, Sudip; Rajeswaran, Bharath; Chakraborty, Anindita; Sundaresan, A.; Maji, Tapas Kumar Bimodal Magneto-Luminescent Dysprosium (DyIII)-Potassium (KI)-Oxalate Framework: Magnetic Switchability with High Anisotropic Barrier and Solvent Sensing Chemistry of Materials 25(9) (2013) 1673
Space group: I 41/a m d :2
Cell volume: 1180.8
Cell parameters: 11.5128; 11.5128; 8.9087; 90; 90; 90;  

COD ID: 4001772
CIF file Formula: - Al6 Ca4 O16 S -
Comments: Cuesta, Ana; De la Torre, Angeles G.; Losilla, Enrique R.; Peterson, Vanessa K.; Rejmak, Pawel; Ayuela, Andrés; Frontera, Carlos; Aranda, Miguel A. G. Structure, Atomistic Simulations, and Phase Transition of Stoichiometric Yeelimite Chemistry of Materials 25(9) (2013) 1680
Space group: P c c 2
Cell volume: 1557.78
Cell parameters: 13.0357; 13.035; 9.16771; 90; 90; 90;  

COD ID: 4001773
CIF file Formula: - C11 H24 Cl6 Ga2 Te2 -
Comments: George, Kathryn; de Groot, C. H. (Kees); Gurnani, Chitra; Hector, Andrew L.; Huang, Ruomeng; Jura, Marek; Levason, William; Reid, Gillian Telluroether and Selenoether Complexes as Single Source Reagents for Low Pressure Chemical Vapor Deposition of Crystalline Ga2Te3and Ga2Se3Thin Films Chemistry of Materials 25(9) (2013) 1829
Space group: P -1
Cell volume: 1189.7
Cell parameters: 6.4351; 13.119; 14.261; 83.81; 88.486; 83.745;  

COD ID: 4001774
CIF file Formula: - Li17 Si4 -
Comments: Zeilinger, Michael; Benson, Daryn; Häussermann, Ulrich; Fässler, Thomas F. Single Crystal Growth and Thermodynamic Stability of Li17Si4 Chemistry of Materials 25(9) (2013) 1960
Space group: F -4 3 m
Cell volume: 6493.47
Cell parameters: 18.6563; 18.6563; 18.6563; 90; 90; 90;  

COD ID: 4001775
CIF file Formula: - Li17 Si4 -
Comments: Zeilinger, Michael; Benson, Daryn; Häussermann, Ulrich; Fässler, Thomas F. Single Crystal Growth and Thermodynamic Stability of Li17Si4 Chemistry of Materials 25(9) (2013) 1960
Space group: F -4 3 m
Cell volume: 6576.31
Cell parameters: 18.7353; 18.7353; 18.7353; 90; 90; 90;  

COD ID: 4001776
CIF file Formula: - Cd2 Cs2 In2 Se6 -
Comments: Li, Hao; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Jin, Hosub; Morris, Collin D.; Zhao, Li-Dong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G. CsCdInQ3(Q = Se, Te): New Photoconductive Compounds As Potential Materials for Hard Radiation Detection Chemistry of Materials 25(10) (2013) 2089
Space group: C 1 2/c 1
Cell volume: 3135.4
Cell parameters: 11.708; 11.712; 23.051; 90; 97.28; 90;  

COD ID: 4001777
CIF file Formula: - Cd2 Cs2 In2 Te6 -
Comments: Li, Hao; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Jin, Hosub; Morris, Collin D.; Zhao, Li-Dong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G. CsCdInQ3(Q = Se, Te): New Photoconductive Compounds As Potential Materials for Hard Radiation Detection Chemistry of Materials 25(10) (2013) 2089
Space group: C 1 2/c 1
Cell volume: 3799.4
Cell parameters: 12.523; 12.517; 24.441; 90; 97.38; 90;  

COD ID: 4001778
CIF file Formula: - K1.316 Mg0.658 S4 Sn1.342 -
Comments: Mertz, Joshua L.; Fard, Zohreh Hassanzadeh; Malliakas, Christos D.; Manos, Manolis J.; Kanatzidis, Mercouri G. Selective Removal of Cs+, Sr2+, and Ni2+by K2xMgxSn3‒xS6(x= 0.5‒1) (KMS-2) Relevant to Nuclear Waste Remediation Chemistry of Materials 25(10) (2013) 2116
Space group: P 63/m m c
Cell volume: 196.8
Cell parameters: 3.6749; 3.6749; 16.827; 90; 90; 120;  

COD ID: 4001779
CIF file Formula: - La9.5 O26 Si5.87 -
Comments: Fukuda, Koichiro; Asaka, Toru; Hara, Shinji; Oyabu, Masayuki; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Julien, Isabelle; Thomas, Philippe Crystal Structure and Oxide-Ion Conductivity alongc-Axis of Si-Deficient Apatite-Type Lanthanum Silicate Chemistry of Materials 25(10) (2013) 2154
Space group: P 63/m
Cell volume: 586.323
Cell parameters: 9.7094; 9.7094; 7.1816; 90; 90; 120;  

COD ID: 4001780
CIF file Formula: - Ba2 Fe O5.5 Y -
Comments: Luo, Kun; Johnson, Roger D.; Tran, Thao T.; Halasyamani, P. Shiv; Radaelli, Paolo G.; Hayward, Michael A. Ba2YFeO5.5: A Ferromagnetic Pyroelectric Phase Prepared by Topochemical Oxidation. Chemistry of Materials 25(9) (2013) 1800
Space group: P b 21 m
Cell volume: 595.247
Cell parameters: 12.132; 6.0606; 8.0956; 90; 90; 90;  

COD ID: 4001781
CIF file Formula: - Li4 Se4 Sn -
Comments: Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds Chemistry of Materials 25(15) (2013) 2961
Space group: P n m a
Cell volume: 810.1
Cell parameters: 14.931; 8.2217; 6.5989; 90; 90; 90;  

COD ID: 4001782
CIF file Formula: - Li2 Se3 Sn -
Comments: Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds Chemistry of Materials 25(15) (2013) 2961
Space group: C 1 c 1
Cell volume: 601.8
Cell parameters: 12.522; 7.2137; 7.7692; 90; 120.96; 90;  

COD ID: 4001783
CIF file Formula: - Li4 O13 Se4 Sn -
Comments: Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds Chemistry of Materials 25(15) (2013) 2961
Space group: P 21 21 21
Cell volume: 2203.8
Cell parameters: 12.84; 12.93; 13.274; 90; 90; 90;  

COD ID: 4001784
CIF file Formula: - H28 Li4 O14 Se6 Sn2 -
Comments: Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds Chemistry of Materials 25(15) (2013) 2961
Space group: P -1
Cell volume: 657.9
Cell parameters: 7.2602; 9.5887; 10.496; 77.46; 71.1; 74;  

COD ID: 4001785
CIF file Formula: - C16 H62 Li4 O16 Se4 Sn -
Comments: Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds Chemistry of Materials 25(15) (2013) 2961
Space group: I -4
Cell volume: 2243.3
Cell parameters: 13.73; 13.73; 11.9; 90; 90; 90;  

COD ID: 4001786
CIF file Formula: - C Mn Na3 O7 P -
Comments: Chen, Hailong; Hao, Qing; Zivkovic, Olivera; Hautier, Geoffroy; Du, Lin-Shu; Tang, Yuanzhi; Hu, Yan-Yan; Ma, Xiaohua; Grey, Clare P.; Ceder, Gerbrand Sidorenkite (Na3MnPO4CO3): A New Intercalation Cathode Material for Na-Ion Batteries Chemistry of Materials 25(14) (2013) 2777
Space group: P 1 21/m 1
Cell volume: 312.318
Cell parameters: 8.98593; 6.73577; 5.15998; 90; 90.1225; 90;  

COD ID: 4001787
CIF file Formula: - C41 H12 Cl Cu Mn7 N48 O5 -
Comments: Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion Chemistry of Materials 25(15) (2013) 2998
Space group: P m -3 m
Cell volume: 6316.4
Cell parameters: 18.4852; 18.4852; 18.4852; 90; 90; 90;  

COD ID: 4001788
CIF file Formula: - C41 H12 Cl Fe Mn7 N48 O5 -
Comments: Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion Chemistry of Materials 25(15) (2013) 2998
Space group: P m -3 m
Cell volume: 6882.6
Cell parameters: 19.0218; 19.0218; 19.0218; 90; 90; 90;  

COD ID: 4001789
CIF file Formula: - C41 H12 Cl Mn7 N48 O5 -
Comments: Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion Chemistry of Materials 25(15) (2013) 2998
Space group: P m -3 m
Cell volume: 6767.7
Cell parameters: 18.9153; 18.9153; 18.9153; 90; 90; 90;  

COD ID: 4001790
CIF file Formula: - C41 H12 Cl Mn7 N48 O5 Zn -
Comments: Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion Chemistry of Materials 25(15) (2013) 2998
Space group: P m -3 m
Cell volume: 6674.9
Cell parameters: 18.8285; 18.8285; 18.8285; 90; 90; 90;  

COD ID: 4001791
CIF file Formula: - K5.06 Nb4.724 O30 Ta6.264 -
Comments: Simon, Q.; Dorcet, V.; Boullay, P.; Demange, V.; Députier, S.; Bouquet, V.; Guilloux-Viry, M. Nanorods of Potassium Tantalum Niobate Tetragonal Tungsten Bronze Phase Grown by Pulsed Laser Deposition Chemistry of Materials 25(14) (2013) 2793
Space group: P 4/m b m
Cell volume: 593
Cell parameters: 12.32; 12.32; 3.907; 90; 90; 90;  

COD ID: 4001792
CIF file Formula: - I4 S Tl6 -
Comments: Nguyen, Sandy L.; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Zhao, Li-Dong; Sebastian, Maria; Jin, Hosub; Li, Hao; Johnsen, Simon; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G. Photoconductivity in Tl6SI4: A Novel Semiconductor for Hard Radiation Detection Chemistry of Materials 25(14) (2013) 2868
Space group: P 4/m n c
Cell volume: 807.3
Cell parameters: 9.1758; 9.1758; 9.5879; 90; 90; 90;  

COD ID: 4001793
CIF file Formula: - C3 F Lu Na4 O8 -
Comments: Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials Chemistry of Materials 25(15) (2013) 3147
Space group: C 1 c 1
Cell volume: 1738.3
Cell parameters: 8.007; 15.91; 13.916; 90; 101.318; 90;  

COD ID: 4001794
CIF file Formula: - C2 F2 Lu Na3 O6 -
Comments: Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials Chemistry of Materials 25(15) (2013) 3147
Space group: C 1 c 1
Cell volume: 1350
Cell parameters: 7.073; 29.77; 6.909; 90; 111.924; 90;  

COD ID: 4001795
CIF file Formula: - C4 H4 Lu Na5 O14 -
Comments: Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials Chemistry of Materials 25(15) (2013) 3147
Space group: P -4 21 c
Cell volume: 663.93
Cell parameters: 7.5879; 7.5879; 11.5313; 90; 90; 90;  

COD ID: 4001796
CIF file Formula: - C2 F Lu Na2 O6 -
Comments: Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials Chemistry of Materials 25(15) (2013) 3147
Space group: C 1 2/c 1
Cell volume: 1203.3
Cell parameters: 17.534; 6.1084; 11.285; 90; 95.429; 90;  

COD ID: 4001797
CIF file Formula: - Li25 Nd125 O600 Ti200 -
Comments: Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites Chemistry of Materials 25(13) (2013) 2670-2683
Space group: P 1 m 1
Cell volume: 11328
Cell parameters: 38.3106; 7.72437; 38.2799; 90; 90; 90;  

COD ID: 4001798
CIF file Formula: - Li25 Nd125 O600 Ti200 -
Comments: Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites Chemistry of Materials 25(13) (2013) 2670-2683
Space group: P 2 m m
Cell volume: 11328
Cell parameters: 38.3106; 38.279869; 7.724372; 90; 90; 90;  

COD ID: 4001799
CIF file Formula: - Ba4 Nb2 O9 -
Comments: Dunstan, Matthew T.; Blanc, Frédéric; Avdeev, Maxim; McIntyre, Garry J.; Grey, Clare P.; Ling, Chris D. Long-Range-Ordered Coexistence of 4-, 5-, and 6-Coordinate Niobium in the Mixed Ionic-Electronic Conductor γ-Ba4Nb2O9 Chemistry of Materials 25(15) (2013) 3154
Space group: P c a 21
Cell volume: 6320.3
Cell parameters: 12.0872; 24.8979; 21.0015; 90; 90; 90;  

COD ID: 4001800
CIF file Formula: - C288 H192 Cu48 I108.75 O240 -
Comments: Sava, Dorina F.; Chapman, Karena W.; Rodriguez, Mark A.; Greathouse, Jeffery A.; Crozier, Paul S.; Zhao, Haiyan; Chupas, Peter J.; Nenoff, Tina M. Competitive I2Sorption by Cu-BTC from Humid Gas Streams Chemistry of Materials 25(13) (2013) 2591
Space group: P 1
Cell volume: 18138.2
Cell parameters: 25.9981; 26.2767; 26.5511; 90; 90; 90;  

COD ID: 4001801
CIF file Formula: - Li0.15 Nd0.617 O3 Ti -
Comments: Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites Chemistry of Materials 25(13) (2013) 2670-2683
Space group: Pmmm(\a,1/2,0)000(1/2,\b,0)000
Cell volume: 113.279
Cell parameters: 3.831048; 3.827977; 7.724355; 90; 90; 90;  

COD ID: 4001802
CIF file Formula: - Fe2 Na4 O14 P4 -
Comments: Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries Chemistry of Materials 25(17) (2013) 3480
Space group: P -1
Cell volume: 581.05
Cell parameters: 6.44903; 9.48247; 10.99331; 64.8468; 86.2397; 73.1333;  

COD ID: 4001803
CIF file Formula: - Fe4 Na4 O28 P8 -
Comments: Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries Chemistry of Materials 25(17) (2013) 3480
Space group: P -1
Cell volume: 562.1
Cell parameters: 6.3297; 9.4646; 11.1; 62.6109; 83.29; 72.2418;  

COD ID: 4001804
CIF file Formula: - Fe Na O4 P -
Comments: Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries Chemistry of Materials 25(17) (2013) 3480
Space group: P n m a
Cell volume: 311.45
Cell parameters: 8.9903; 6.8681; 5.0441; 90; 90; 90;  

COD ID: 4001805
CIF file Formula: - Cs2 Ge3 Mg Se8 -
Comments: Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G. Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps Chemistry of Materials 25(16) (2013) 3344
Space group: P 21 21 21
Cell volume: 1733.02
Cell parameters: 7.6635; 12.7242; 17.7724; 90; 90; 90;  

COD ID: 4001806
CIF file Formula: - Cs2 Ge3 S8 Zn -
Comments: Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G. Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps Chemistry of Materials 25(16) (2013) 3344
Space group: P 1 21/n 1
Cell volume: 1542.58
Cell parameters: 7.2624; 16.9801; 12.6231; 90; 97.706; 90;  

COD ID: 4001807
CIF file Formula: - Cs2 Ge3 Se8 Zn -
Comments: Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G. Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps Chemistry of Materials 25(16) (2013) 3344
Space group: P 21 21 21
Cell volume: 1687.7
Cell parameters: 7.5756; 12.6191; 17.6543; 90; 90; 90;  

COD ID: 4001808
CIF file Formula: - Cs2 Ge3 Te8 Zn -
Comments: Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G. Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps Chemistry of Materials 25(16) (2013) 3344
Space group: P 21 21 21
Cell volume: 2008.4
Cell parameters: 8.1345; 13.1145; 18.8263; 90; 90; 90;  

COD ID: 4001809
CIF file Formula: - Cd Cs2 Ge3 S8 -
Comments: Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G. Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps Chemistry of Materials 25(16) (2013) 3344
Space group: P 21 21 21
Cell volume: 1585.65
Cell parameters: 7.4192; 12.5099; 17.0843; 90; 90; 90;  

COD ID: 4001810
CIF file Formula: - Cd Cs2 Ge3 Se8 -
Comments: Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G. Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps Chemistry of Materials 25(16) (2013) 3344
Space group: P 21 21 21
Cell volume: 1741.34
Cell parameters: 7.7048; 12.6822; 17.8208; 90; 90; 90;  

COD ID: 4001811
CIF file Formula: - Cs2 Mg Se8 Sn3 -
Comments: Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G. Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps Chemistry of Materials 25(16) (2013) 3344
Space group: P 21 21 21
Cell volume: 1864.44
Cell parameters: 7.9055; 12.7661; 18.474; 90; 90; 90;  

COD ID: 4001812
CIF file Formula: - Cs2 Se8 Sn3 Zn -
Comments: Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G. Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps Chemistry of Materials 25(16) (2013) 3344
Space group: P 21 21 21
Cell volume: 1816.91
Cell parameters: 7.8146; 12.6534; 18.3747; 90; 90; 90;  

COD ID: 4001813
CIF file Formula: - Cd Cs2 Se8 Sn3 -
Comments: Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G. Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps Chemistry of Materials 25(16) (2013) 3344
Space group: P 21 21 21
Cell volume: 1872.82
Cell parameters: 7.9335; 12.7336; 18.5387; 90; 90; 90;  

COD ID: 4001814
CIF file Formula: - Cs2 Hg S8 Sn3 -
Comments: Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G. Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps Chemistry of Materials 25(16) (2013) 3344
Space group: P 21 21 21
Cell volume: 1693.7
Cell parameters: 7.6672; 12.3405; 17.9011; 90; 90; 90;  

COD ID: 4001815
CIF file Formula: - Cs2 Hg Se8 Sn3 -
Comments: Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G. Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps Chemistry of Materials 25(16) (2013) 3344
Space group: P 21 21 21
Cell volume: 1859.45
Cell parameters: 7.9196; 12.6657; 18.5375; 90; 90; 90;  

COD ID: 4001816
CIF file Formula: - Al3.75 Dy3 Fe Mg0.25 Si2 -
Comments: Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E. Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5) Chemistry of Materials 25(16) (2013) 3363
Space group: P 4/m b m
Cell volume: 757.9
Cell parameters: 13.527; 13.527; 4.1422; 90; 90; 90;  

COD ID: 4001817
CIF file Formula: - Al3.5 Er3 Fe Ge2 Mg0.5 -
Comments: Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E. Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5) Chemistry of Materials 25(16) (2013) 3363
Space group: P 4/m b m
Cell volume: 757.8
Cell parameters: 13.562; 13.562; 4.1201; 90; 90; 90;  

COD ID: 4001818
CIF file Formula: - Al3.5 Fe Ge2 Mg0.5 Y3 -
Comments: Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E. Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5) Chemistry of Materials 25(16) (2013) 3363
Space group: P 4/m b m
Cell volume: 776.76
Cell parameters: 13.6799; 13.6799; 4.1507; 90; 90; 90;  

COD ID: 4001819
CIF file Formula: - Al3.72 Fe Mg0.28 Si2 Yb2.77 -
Comments: Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E. Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5) Chemistry of Materials 25(16) (2013) 3363
Space group: P 4/m b m
Cell volume: 730.41
Cell parameters: 13.3479; 13.3479; 4.0996; 90; 90; 90;  

COD ID: 4001820
CIF file Formula: - Al17 Fe4 Si6 Yb5 -
Comments: Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E. Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5) Chemistry of Materials 25(16) (2013) 3363
Space group: P 4/m m m
Cell volume: 528.1
Cell parameters: 11.433; 11.433; 4.04; 90; 90; 90;  

COD ID: 4001821
CIF file Formula: - C30 H48 B10 N4 O12 -
Comments: Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A. Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities Chemistry of Materials 25(17) (2013) 3539
Space group: P -1
Cell volume: 979.25
Cell parameters: 7.1634; 7.3956; 19.2069; 93.698; 90.474; 105.266;  

COD ID: 4001822
CIF file Formula: - C26 H36 B10 O8 -
Comments: Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A. Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities Chemistry of Materials 25(17) (2013) 3539
Space group: P -1
Cell volume: 715.84
Cell parameters: 7.0603; 10.4871; 10.8766; 111.528; 93.925; 103.985;  

COD ID: 4001823
CIF file Formula: - C9 H10 B5 Cu O5 -
Comments: Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A. Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities Chemistry of Materials 25(17) (2013) 3539
Space group: R -3 m
Cell volume: 11846.6
Cell parameters: 18.6953; 18.6953; 39.1379; 90; 90; 120;  

COD ID: 4001824
CIF file Formula: - Cu2.77 K8 Sn43.23 -
Comments: Schäfer, Marion C.; Bobev, Svilen Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure Chemistry of Materials 25(18) (2013) 3737
Space group: P m -3 n
Cell volume: 1761.43
Cell parameters: 12.0769; 12.0769; 12.0769; 90; 90; 90;  

COD ID: 4001825
CIF file Formula: - Cu2.76 Rb8 Sn43.24 -
Comments: Schäfer, Marion C.; Bobev, Svilen Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure Chemistry of Materials 25(18) (2013) 3737
Space group: P m -3 n
Cell volume: 1765.8
Cell parameters: 12.0868; 12.0868; 12.0868; 90; 90; 90;  

COD ID: 4001826
CIF file Formula: - Cs8 Cu2.69 Sn43.31 -
Comments: Schäfer, Marion C.; Bobev, Svilen Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure Chemistry of Materials 25(18) (2013) 3737
Space group: P m -3 n
Cell volume: 1781.86
Cell parameters: 12.1234; 12.1234; 12.1234; 90; 90; 90;  

COD ID: 4001827
CIF file Formula: - K8 Sn42.22 Zn3.78 -
Comments: Schäfer, Marion C.; Bobev, Svilen Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure Chemistry of Materials 25(18) (2013) 3737
Space group: P m -3 n
Cell volume: 1757.15
Cell parameters: 12.0671; 12.0671; 12.0671; 90; 90; 90;  

COD ID: 4001828
CIF file Formula: - Rb8 Sn42.48 Zn3.52 -
Comments: Schäfer, Marion C.; Bobev, Svilen Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure Chemistry of Materials 25(18) (2013) 3737
Space group: P m -3 n
Cell volume: 1767.74
Cell parameters: 12.0913; 12.0913; 12.0913; 90; 90; 90;  

COD ID: 4001829
CIF file Formula: - Cs8 Sn42.57 Zn3.43 -
Comments: Schäfer, Marion C.; Bobev, Svilen Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure Chemistry of Materials 25(18) (2013) 3737
Space group: P m -3 n
Cell volume: 1782.08
Cell parameters: 12.1239; 12.1239; 12.1239; 90; 90; 90;  

COD ID: 4001830
CIF file Formula: - C20 H12 O -
Comments: Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores Chemistry of Materials 25(20) (2013) 3952
Space group: P 1 21/c 1
Cell volume: 1286.71
Cell parameters: 14.4807; 4.55923; 20.7613; 90; 110.159; 90;  

COD ID: 4001831
CIF file Formula: - C20 H12 Se -
Comments: Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores Chemistry of Materials 25(20) (2013) 3952
Space group: P n m a
Cell volume: 1400.49
Cell parameters: 6.729; 26.7472; 7.7813; 90; 90; 90;  

COD ID: 4001832
CIF file Formula: - C20 H12 S -
Comments: Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores Chemistry of Materials 25(20) (2013) 3952
Space group: P n m a
Cell volume: 1387.2
Cell parameters: 6.9337; 26.576; 7.5281; 90; 90; 90;  

COD ID: 4001833
CIF file Formula: - C44.5 H36 B Cl Cu F4 N3 O P2 -
Comments: Chen, Xu-Lin; Yu, Rongmin; Zhang, Qi-Kai; Zhou, Liu-Jiang; Wu, Xiao-Yuan; Zhang, Qing; Lu, Can-Zhong Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs Chemistry of Materials 25(19) (2013) 3910
Space group: P -1
Cell volume: 4216.64
Cell parameters: 12.8934; 15.642; 23.0349; 109.545; 101.108; 96.454;  

COD ID: 4001834
CIF file Formula: - C45.5 H38 B Cl Cu F4 N3 O P2 -
Comments: Chen, Xu-Lin; Yu, Rongmin; Zhang, Qi-Kai; Zhou, Liu-Jiang; Wu, Xiao-Yuan; Zhang, Qing; Lu, Can-Zhong Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs Chemistry of Materials 25(19) (2013) 3910
Space group: P -1
Cell volume: 2320.3
Cell parameters: 9.8109; 13.494; 18.885; 100.677; 94.954; 107.203;  

COD ID: 4001835
CIF file Formula: - C45 H34 B Cu F7 N3 O P2 -
Comments: Chen, Xu-Lin; Yu, Rongmin; Zhang, Qi-Kai; Zhou, Liu-Jiang; Wu, Xiao-Yuan; Zhang, Qing; Lu, Can-Zhong Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs Chemistry of Materials 25(19) (2013) 3910
Space group: P -1
Cell volume: 2126.1
Cell parameters: 9.846; 13.394; 17.194; 95.74; 90.447; 109.394;  

COD ID: 4001836
CIF file Formula: - Li15 Si4 -
Comments: Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F. Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4 Chemistry of Materials 25(20) (2013) 4113
Space group: I -4 3 d
Cell volume: 1201.9
Cell parameters: 10.6322; 10.6322; 10.6322; 90; 90; 90;  

COD ID: 4001837
CIF file Formula: - Li15 Si4 -
Comments: Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F. Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4 Chemistry of Materials 25(20) (2013) 4113
Space group: I -4 3 d
Cell volume: 1220.6
Cell parameters: 10.687; 10.687; 10.687; 90; 90; 90;  

COD ID: 4001838
CIF file Formula: - Al0.63 Li14.37 Si4 -
Comments: Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F. Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4 Chemistry of Materials 25(20) (2013) 4113
Space group: I -4 3 d
Cell volume: 1196.82
Cell parameters: 10.6172; 10.6172; 10.6172; 90; 90; 90;  

COD ID: 4001839
CIF file Formula: - Al0.59 Li14.41 Si4 -
Comments: Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F. Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4 Chemistry of Materials 25(20) (2013) 4113
Space group: I -4 3 d
Cell volume: 1212.7
Cell parameters: 10.664; 10.664; 10.664; 90; 90; 90;  

COD ID: 4001841
CIF file Formula: - C44 H54 I2 N2 O2 -
Comments: González, Lucía; Gimeno, Nélida; Tejedor, Rosa María; Polo, Víctor; Ros, M. Blanca; Uriel, Santiago; Serrano, José Luis Halogen-Bonding Complexes Based on Bis(iodoethynyl)benzene Units: A New Versatile Route to Supramolecular Materials Chemistry of Materials 25(22) (2013) 4503
Space group: P -1
Cell volume: 1042.2
Cell parameters: 8.608; 10.221; 13.297; 97.85; 96.79; 113.64;  

COD ID: 4001842
CIF file Formula: - C30 H54 I2 N2 O2 -
Comments: González, Lucía; Gimeno, Nélida; Tejedor, Rosa María; Polo, Víctor; Ros, M. Blanca; Uriel, Santiago; Serrano, José Luis Halogen-Bonding Complexes Based on Bis(iodoethynyl)benzene Units: A New Versatile Route to Supramolecular Materials Chemistry of Materials 25(22) (2013) 4503
Space group: P -1
Cell volume: 963.9
Cell parameters: 7.728; 9.453; 14.8; 75.71; 84; 66.93;  

COD ID: 4001843
CIF file Formula: - C20 H38 Ag2 N4 -
Comments: Coyle, Jason P.; Gordon, Peter G.; Wells, Adam P.; Mandia, David J.; Sirianni, Eric R.; Yap, Glenn P. A.; Barry, Se T. Thermally Robust Gold and Silver Iminopyrrolidinates for Chemical Vapor Deposition of Metal Films Chemistry of Materials 25(22) (2013) 4566
Space group: P 1 21/c 1
Cell volume: 1131.1
Cell parameters: 10.124; 9.681; 12.008; 90; 106.047; 90;  

COD ID: 4001844
CIF file Formula: - C20 H38 Au2 N4 -
Comments: Coyle, Jason P.; Gordon, Peter G.; Wells, Adam P.; Mandia, David J.; Sirianni, Eric R.; Yap, Glenn P. A.; Barry, Se T. Thermally Robust Gold and Silver Iminopyrrolidinates for Chemical Vapor Deposition of Metal Films Chemistry of Materials 25(22) (2013) 4566
Space group: P 1 21/c 1
Cell volume: 1139.2
Cell parameters: 10.1692; 9.7129; 12.0353; 90; 106.605; 90;  

COD ID: 4001845
CIF file Formula: - Fe Li O4 P -
Comments: Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G. Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations Chemistry of Materials 25(22) (2013) 4574
Space group: P n m a
Cell volume: 291.34
Cell parameters: 10.336; 6.006; 4.6932; 90; 90; 90;  

COD ID: 4001846
CIF file Formula: - Fe Li O4 P -
Comments: Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G. Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations Chemistry of Materials 25(22) (2013) 4574
Space group: P n m a
Cell volume: 291.34
Cell parameters: 10.336; 6.006; 4.6932; 90; 90; 90;  

COD ID: 4001847
CIF file Formula: - Fe Li O4 P -
Comments: Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G. Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations Chemistry of Materials 25(22) (2013) 4574
Space group: P n m a
Cell volume: 290.84
Cell parameters: 10.3244; 6.0064; 4.6901; 90; 90; 90;  

COD ID: 4001848
CIF file Formula: - Fe Li O4 P -
Comments: Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G. Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations Chemistry of Materials 25(22) (2013) 4574
Space group: P n m a
Cell volume: 290.84
Cell parameters: 10.3244; 6.0064; 4.6901; 90; 90; 90;  

COD ID: 4001849
CIF file Formula: - Fe Li O4 P -
Comments: Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G. Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations Chemistry of Materials 25(22) (2013) 4574
Space group: P n m a
Cell volume: 291.31
Cell parameters: 10.3165; 6.0095; 4.6988; 90; 90; 90;  

COD ID: 4001850
CIF file Formula: - C52 H64 N2 O4 -
Comments: Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances Chemistry of Materials 25(21) (2013) 4340
Space group: P 1 21/n 1
Cell volume: 4514.8
Cell parameters: 12.2332; 9.4949; 38.973; 90; 94.17; 90;  

COD ID: 4001851
CIF file Formula: - C72 H92 N2 O6 -
Comments: Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances Chemistry of Materials 25(21) (2013) 4340
Space group: P 1 21/c 1
Cell volume: 3198.3
Cell parameters: 24.021; 4.8652; 28.577; 90; 106.733; 90;  

COD ID: 4001852
CIF file Formula: - C95 H120 Cl2 N2 O9 -
Comments: Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances Chemistry of Materials 25(21) (2013) 4340
Space group: P -1
Cell volume: 2170.4
Cell parameters: 8.8088; 16.589; 17.178; 117.735; 95.132; 97.491;  

COD ID: 4001853
CIF file Formula: - C88 H88 N2 O6 -
Comments: Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances Chemistry of Materials 25(21) (2013) 4340
Space group: P 1 21/n 1
Cell volume: 3537
Cell parameters: 19.637; 8.175; 23.803; 90; 112.222; 90;  

COD ID: 4001854
CIF file Formula: - Li4.106 Si -
Comments: Zeilinger, Michael; Kurylyshyn, Iryna M.; Häussermann, Ulrich; Fässler, Thomas F. Revision of the Li‒Si Phase Diagram: Discovery and Single-Crystal X-ray Structure Determination of the High-Temperature Phase Li4.11Si Chemistry of Materials 25(22) (2013) 4623
Space group: C m c m
Cell volume: 1310.59
Cell parameters: 4.5246; 21.9437; 13.2001; 90; 90; 90;  

COD ID: 4001855
CIF file Formula: - Li4.105 Si -
Comments: Zeilinger, Michael; Kurylyshyn, Iryna M.; Häussermann, Ulrich; Fässler, Thomas F. Revision of the Li‒Si Phase Diagram: Discovery and Single-Crystal X-ray Structure Determination of the High-Temperature Phase Li4.11Si Chemistry of Materials 25(22) (2013) 4623
Space group: C m c m
Cell volume: 1328.3
Cell parameters: 4.5467; 22.065; 13.24; 90; 90; 90;  

COD ID: 4001856
CIF file Formula: - B18 H6 O63 V12 Zn3 -
Comments: Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang 3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes Chemistry of Materials 25(24) (2013) 5031
Space group: P n -3 :2
Cell volume: 6662.08
Cell parameters: 18.8164; 18.8164; 18.8164; 90; 90; 90;  

COD ID: 4001857
CIF file Formula: - C8 H36 B18 N6 O61 V12 Zn2 -
Comments: Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang 3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes Chemistry of Materials 25(24) (2013) 5031
Space group: I 41/a c d :2
Cell volume: 30455.8
Cell parameters: 32.7924; 32.7924; 28.322; 90; 90; 90;  

COD ID: 4001858
CIF file Formula: - B18 H6 O60 V12 -
Comments: Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang 3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes Chemistry of Materials 25(24) (2013) 5031
Space group: C 1 2/c 1
Cell volume: 6837.5
Cell parameters: 18.9594; 18.5495; 19.4909; 90; 94.065; 90;  

COD ID: 4001859
CIF file Formula: - C18 B27 N18 O90 V18 -
Comments: Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang 3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes Chemistry of Materials 25(24) (2013) 5031
Space group: R -3 :H
Cell volume: 4721.9
Cell parameters: 22.0072; 22.0072; 11.2578; 90; 90; 120;  

COD ID: 4001860
CIF file Formula: - B36 Ni6 O132 V24 -
Comments: Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang 3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes Chemistry of Materials 25(24) (2013) 5031
Space group: P n -3 :2
Cell volume: 6793.47
Cell parameters: 18.9393; 18.9393; 18.9393; 90; 90; 90;  

COD ID: 4001861
CIF file Formula: - B24 Mn4 O88 V16 -
Comments: Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang 3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes Chemistry of Materials 25(24) (2013) 5031
Space group: P n -3 :2
Cell volume: 6787.88
Cell parameters: 18.9341; 18.9341; 18.9341; 90; 90; 90;  

COD ID: 4001947
CIF file Formula: - Ba Cu0.25 Ga1.25 S3 -
Comments: Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response Chemistry of Materials 25(12) (2013) 2427
Space group: P -4 21 c
Cell volume: 1071.9
Cell parameters: 13.0397; 13.0397; 6.3042; 90; 90; 90;  

COD ID: 4001948
CIF file Formula: - Ba Cu0.25 Ga1.25 S2.32 Se0.68 -
Comments: Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response Chemistry of Materials 25(12) (2013) 2427
Space group: P -4 21 c
Cell volume: 1099.82
Cell parameters: 13.1585; 13.1585; 6.352; 90; 90; 90;  

COD ID: 4001949
CIF file Formula: - Ba Cu0.25 Ga1.25 Se3 -
Comments: Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response Chemistry of Materials 25(12) (2013) 2427
Space group: P -4 21 c
Cell volume: 1206.7
Cell parameters: 13.5975; 13.5975; 6.5266; 90; 90; 90;  

COD ID: 4001950
CIF file Formula: - C46 H36 -
Comments: McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J. Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties Chemistry of Materials 25(11) (2013) 2254
Space group: C 1 2/c 1
Cell volume: 9993
Cell parameters: 41.257; 10.1464; 24.038; 90; 96.739; 90;  

COD ID: 4001951
CIF file Formula: - C48 H40 -
Comments: McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J. Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties Chemistry of Materials 25(11) (2013) 2254
Space group: P 1 21 1
Cell volume: 1716.4
Cell parameters: 12.7495; 9.4141; 14.5027; 90; 99.576; 90;  

COD ID: 4001952
CIF file Formula: - C44 H32 -
Comments: McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J. Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties Chemistry of Materials 25(11) (2013) 2254
Space group: P n a 21
Cell volume: 3024.6
Cell parameters: 15.2045; 13.901; 14.3104; 90; 90; 90;  

COD ID: 4001953
CIF file Formula: - C46 H30 F6 -
Comments: McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J. Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties Chemistry of Materials 25(11) (2013) 2254
Space group: P b c m
Cell volume: 3427.4
Cell parameters: 7.1443; 14.051; 34.143; 90; 90; 90;  

COD ID: 4001954
CIF file Formula: - C48 H34 F6 -
Comments: McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J. Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties Chemistry of Materials 25(11) (2013) 2254
Space group: P b c m
Cell volume: 3573.7
Cell parameters: 7.5317; 14.634; 32.424; 90; 90; 90;  

COD ID: 4001955
CIF file Formula: - C44 H26 F6 -
Comments: McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J. Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties Chemistry of Materials 25(11) (2013) 2254
Space group: P n m a
Cell volume: 3152.3
Cell parameters: 7.1162; 31.179; 14.2075; 90; 90; 90;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.