Crystallography Open Database

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Searching journal of publication like 'Chemistry of Materials' volume of publication is 31

COD ID: 4002903
CIF file Formula: - C4 H12 Br4 N2 Pb -
Comments: Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G. Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission Chemistry of Materials 31(9) (2019) 3582
Space group: P 1 21/c 1
Cell volume: 1295.5
Cell parameters: 6.242; 22.545; 9.236; 90; 94.648; 90;  

COD ID: 4002904
CIF file Formula: - C4 H12 Br4 N2 Pb -
Comments: Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G. Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission Chemistry of Materials 31(9) (2019) 3582
Space group: P 1 21/c 1
Cell volume: 1244.71
Cell parameters: 6.2763; 20.46; 9.6935; 90; 90.563; 90;  

COD ID: 4002905
CIF file Formula: - C4 H12 I4 N2 Pb -
Comments: Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G. Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission Chemistry of Materials 31(9) (2019) 3582
Space group: P n a 21
Cell volume: 1414.6
Cell parameters: 10.057; 21.376; 6.58; 90; 90; 90;  

COD ID: 4002906
CIF file Formula: - C4 H12 Cl4 N2 Pb -
Comments: Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G. Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission Chemistry of Materials 31(9) (2019) 3582
Space group: P 1 21/c 1
Cell volume: 1145.41
Cell parameters: 5.886; 21.7573; 8.9772; 90; 94.922; 90;  

COD ID: 4002907
CIF file Formula: - C8 H4 F6 N4 Zn -
Comments: Arhangelskis, Mihails; Katsenis, Athanassios D.; Novendra, Novendra; Akimbekov, Zamirbek; Gandrath, Dayaker; Marrett, Joseph M.; Ayoub, Ghada; Morris, Andrew J.; Farha, Omar K.; Friščić, Tomislav; Navrotsky, Alexandra Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework Chemistry of Materials 31(10) (2019) 3777
Space group: P 64
Cell volume: 858.24
Cell parameters: 8.8027; 8.8027; 12.7893; 90; 90; 120;  

COD ID: 4002908
CIF file Formula: - C8 H4 F6 N4 Zn -
Comments: Arhangelskis, Mihails; Katsenis, Athanassios D.; Novendra, Novendra; Akimbekov, Zamirbek; Gandrath, Dayaker; Marrett, Joseph M.; Ayoub, Ghada; Morris, Andrew J.; Farha, Omar K.; Friščić, Tomislav; Navrotsky, Alexandra Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework Chemistry of Materials 31(10) (2019) 3777
Space group: I -4 3 m
Cell volume: 5388.6
Cell parameters: 17.5317; 17.5317; 17.5317; 90; 90; 90;  

COD ID: 4002909
CIF file Formula: - C4 H3 F3 N2 -
Comments: Arhangelskis, Mihails; Katsenis, Athanassios D.; Novendra, Novendra; Akimbekov, Zamirbek; Gandrath, Dayaker; Marrett, Joseph M.; Ayoub, Ghada; Morris, Andrew J.; Farha, Omar K.; Friščić, Tomislav; Navrotsky, Alexandra Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework Chemistry of Materials 31(10) (2019) 3777
Space group: P 1 21/c 1
Cell volume: 545.2
Cell parameters: 7.5862; 9.8792; 7.6926; 90; 108.97; 90;  

COD ID: 4002910
CIF file Formula: - Bi3.48 In0.51 Mn2.03 Se8 -
Comments: Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G. Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity Chemistry of Materials 31(9) (2019) 3430
Space group: C 1 2/m 1
Cell volume: 730.832
Cell parameters: 13.279; 4.066; 14.988; 90; 115.43; 90;  

COD ID: 4002911
CIF file Formula: - Ag1.61 Bi5.46 Cd0.94 Se10 -
Comments: Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G. Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity Chemistry of Materials 31(9) (2019) 3430
Space group: C 1 2/m 1
Cell volume: 969.972
Cell parameters: 13.684; 4.16; 17.082; 90; 94.05; 90;  

COD ID: 4002912
CIF file Formula: - Ag2.36 Cd0.96 Sb6.53 Se12 -
Comments: Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G. Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity Chemistry of Materials 31(9) (2019) 3430
Space group: C 1 2/m 1
Cell volume: 1119.85
Cell parameters: 13.547; 4.087; 20.706; 90; 102.36; 90;  

COD ID: 4002913
CIF file Formula: - Bi3 In Pb S7 -
Comments: Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G. Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity Chemistry of Materials 31(9) (2019) 3430
Space group: C 1 2/m 1
Cell volume: 604.294
Cell parameters: 13.014; 3.991; 12.003; 90; 104.23; 90;  

COD ID: 4002914
CIF file Formula: - Ag2 Bi6 Cd Se11 -
Comments: Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G. Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity Chemistry of Materials 31(9) (2019) 3430
Space group: C 1 2/m 1
Cell volume: 1057.38
Cell parameters: 13.633; 4.146; 19.335; 90; 104.64; 90;  

COD ID: 4002915
CIF file Formula: - Bi4 Cd Pb2 S9 -
Comments: Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G. Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity Chemistry of Materials 31(9) (2019) 3430
Space group: C 1 2/m 1
Cell volume: 787.666
Cell parameters: 13.156; 4.011; 15.151; 90; 99.87; 90;  

COD ID: 4002916
CIF file Formula: - Bi2 Mn -
Comments: Walsh, James P. S.; Clarke, Samantha M.; Puggioni, Danilo; Tamerius, Alexandra D.; Meng, Yue; Rondinelli, James M.; Jacobsen, Steven D.; Freedman, Danna E. MnBi2: A Metastable High-Pressure Phase in the Mn‒Bi System Chemistry of Materials 31(9) (2019) 3083
Space group: I 4/m c m
Cell volume: 264.017
Cell parameters: 6.83148; 6.83148; 5.6572; 90; 90; 90;  

COD ID: 4002917
CIF file Formula: - C8 Br2 N2 O2 -
Comments: Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J. Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry Chemistry of Materials 31(17) (2019) 6598
Space group: P b c a
Cell volume: 1846.38
Cell parameters: 16.5896; 6.1155; 18.1992; 90; 90; 90;  

COD ID: 4002918
CIF file Formula: - C22 H12 Cl2 N2 O2 S -
Comments: Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J. Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry Chemistry of Materials 31(17) (2019) 6598
Space group: C m c 21
Cell volume: 1994.06
Cell parameters: 6.57483; 18.364; 16.5153; 90; 90; 90;  

COD ID: 4002919
CIF file Formula: - C16 H20 Br2 N3 O2 -
Comments: Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J. Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry Chemistry of Materials 31(17) (2019) 6598
Space group: P 1 21/n 1
Cell volume: 1802.83
Cell parameters: 7.1881; 20.1241; 12.6012; 90; 98.493; 90;  

COD ID: 4002920
CIF file Formula: - C4 H5 Br O2 Pb -
Comments: Yin, Jinlin; Yang, Huimin; Fei, Honghan Robust, Cationic Lead Halide Layered Materials with Efficient Broadband White-Light Emission Chemistry of Materials 31(11) (2019) 3909
Space group: P 1 21/c 1
Cell volume: 672.8
Cell parameters: 11.936; 6.0077; 9.478; 90; 98.128; 90;  

COD ID: 4002921
CIF file Formula: - C2.667 H3.333 Cl0.667 O1.333 Pb0.667 -
Comments: Yin, Jinlin; Yang, Huimin; Fei, Honghan Robust, Cationic Lead Halide Layered Materials with Efficient Broadband White-Light Emission Chemistry of Materials 31(11) (2019) 3909
Space group: P 1 21/c 1
Cell volume: 587
Cell parameters: 9.843; 9.024; 6.66; 90; 97.098; 90;  

COD ID: 4002922
CIF file Formula: - F2.667 Fe O0.55 -
Comments: Lemoine, Kévin; Zhang, Leiting; Dambournet, Damien; Grenèche, Jean-Marc; Hémon-Ribaud, Annie; Leblanc, Marc; Borkiewicz, Olaf J.; Tarascon, Jean-Marie; Maisonneuve, Vincent; Lhoste, Jérôme Synthesis by Thermal Decomposition of Two Iron Hydroxyfluorides: Structural Effects of Li Insertion Chemistry of Materials 31(11) (2019) 4246
Space group: P 63/m
Cell volume: 357.4
Cell parameters: 7.3957; 7.3957; 7.5452; 90; 90; 120;  

COD ID: 4002923
CIF file Formula: - F2.5 Fe O -
Comments: Lemoine, Kévin; Zhang, Leiting; Dambournet, Damien; Grenèche, Jean-Marc; Hémon-Ribaud, Annie; Leblanc, Marc; Borkiewicz, Olaf J.; Tarascon, Jean-Marie; Maisonneuve, Vincent; Lhoste, Jérôme Synthesis by Thermal Decomposition of Two Iron Hydroxyfluorides: Structural Effects of Li Insertion Chemistry of Materials 31(11) (2019) 4246
Space group: F d -3 m :2
Cell volume: 1110.71
Cell parameters: 10.3562; 10.3562; 10.3562; 90; 90; 90;  

COD ID: 4002942
CIF file Formula: - Cl5 Mo -
Comments: McGuire, Michael A.; Pandey, Tribhuwan; Mu, Sai; Parker, David S. Ferromagnetic Spin-1/2 Dimers with Strong Anisotropy in MoCl5 Chemistry of Materials 31(8) (2019) 2952
Space group: C 1 2/m 1
Cell volume: 1798.9
Cell parameters: 17.9067; 17.605; 5.7065; 90; 90.212; 90;  

COD ID: 4002943
CIF file Formula: - Cl5 Mo -
Comments: McGuire, Michael A.; Pandey, Tribhuwan; Mu, Sai; Parker, David S. Ferromagnetic Spin-1/2 Dimers with Strong Anisotropy in MoCl5 Chemistry of Materials 31(8) (2019) 2952
Space group: P 1 21/c 1
Cell volume: 588.89
Cell parameters: 6.0628; 16.667; 6.4569; 90; 115.502; 90;  

COD ID: 4002944
CIF file Formula: - H4 I Mo N O6 -
Comments: Li, Yahui; Han, Guopeng; Yu, Hongwei; Li, Hao; Yang, Zhihua; Pan, Shilie Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses Chemistry of Materials 31(8) (2019) 2992
Space group: P n a 21
Cell volume: 584.7
Cell parameters: 7.789; 10.221; 7.344; 90; 90; 90;  

COD ID: 4002945
CIF file Formula: - I2 K Mo2 O12 Rb -
Comments: Li, Yahui; Han, Guopeng; Yu, Hongwei; Li, Hao; Yang, Zhihua; Pan, Shilie Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses Chemistry of Materials 31(8) (2019) 2992
Space group: C 1 c 1
Cell volume: 2309
Cell parameters: 30.02; 10.205; 7.762; 90; 103.786; 90;  

COD ID: 4002946
CIF file Formula: - Na Nb0.9 O2.95 Ti0.1 -
Comments: Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features Chemistry of Materials 31(8) (2019) 2828
Space group: C m c m
Cell volume: 479.21
Cell parameters: 7.82; 7.8238; 7.8325; 90; 90; 90;  

COD ID: 4002947
CIF file Formula: - Na Nb0.9 O2.95 Ti0.1 -
Comments: Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features Chemistry of Materials 31(8) (2019) 2828
Space group: P 21 m a
Cell volume: 237.58
Cell parameters: 5.5495; 7.7714; 5.5088; 90; 90; 90;  

COD ID: 4002948
CIF file Formula: - Na Nb0.9 O2.95 Ti0.1 -
Comments: Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features Chemistry of Materials 31(8) (2019) 2828
Space group: P m -3 m
Cell volume: 61.3756
Cell parameters: 3.94456; 3.94456; 3.94456; 90; 90; 90;  

COD ID: 4002949
CIF file Formula: - Na Nb0.9 O2.95 Ti0.1 -
Comments: Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features Chemistry of Materials 31(8) (2019) 2828
Space group: C m c m
Cell volume: 482.77
Cell parameters: 7.8393; 7.8455; 7.8495; 90; 90; 90;  

COD ID: 4002950
CIF file Formula: - Na Nb0.9 O2.95 Ti0.1 -
Comments: Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features Chemistry of Materials 31(8) (2019) 2828
Space group: P 21 m a
Cell volume: 237.98
Cell parameters: 5.5342; 7.7926; 5.5182; 90; 90; 90;  

COD ID: 4002951
CIF file Formula: - Ge Hg Se4 Sr -
Comments: Guo, Yangwu; Liang, Fei; Yin, Wenlong; Li, Zhuang; Luo, Xiaoyu; Lin, Zhe-Shuai; Yao, Jiyong; Mar, Arthur; Wu, Yicheng BaHgGeSe4 and SrHgGeSe4: Two New Hg-Based Infrared Nonlinear Optical Materials Chemistry of Materials 31(8) (2019) 3034
Space group: A m a 2
Cell volume: 773
Cell parameters: 10.8375; 10.7456; 6.6377; 90; 90; 90;  

COD ID: 4002952
CIF file Formula: - Ba Ge Hg Se4 -
Comments: Guo, Yangwu; Liang, Fei; Yin, Wenlong; Li, Zhuang; Luo, Xiaoyu; Lin, Zhe-Shuai; Yao, Jiyong; Mar, Arthur; Wu, Yicheng BaHgGeSe4 and SrHgGeSe4: Two New Hg-Based Infrared Nonlinear Optical Materials Chemistry of Materials 31(8) (2019) 3034
Space group: A m a 2
Cell volume: 830.1
Cell parameters: 11.255; 11.033; 6.6847; 90; 90; 90;  

COD ID: 4002953
CIF file Formula: - C10 H14 Br4 N4 Zn -
Comments: Yangui, Aymen; Roccanova, Rachel; McWhorter, Timothy M.; Wu, Yuntao; Du, Mao-Hua; Saparov, Bayrammurad Hybrid Organic‒Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission Chemistry of Materials 31(8) (2019) 2983
Space group: P 21 21 21
Cell volume: 1720
Cell parameters: 7.2941; 15.3229; 15.3893; 90; 90; 90;  

COD ID: 4002954
CIF file Formula: - C10 H16 Br4 Hg N4 O -
Comments: Yangui, Aymen; Roccanova, Rachel; McWhorter, Timothy M.; Wu, Yuntao; Du, Mao-Hua; Saparov, Bayrammurad Hybrid Organic‒Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission Chemistry of Materials 31(8) (2019) 2983
Space group: P b c m
Cell volume: 1762
Cell parameters: 6.7934; 13.8808; 18.685; 90; 90; 90;  

COD ID: 4002955
CIF file Formula: - C12 H11 N O4 -
Comments: Nakamura, Tomoya; Shioya, Nobutaka; Shimoaka, Takafumi; Nishikubo, Ryosuke; Hasegawa, Takeshi; Saeki, Akinori; Murata, Yasujiro; Murdey, Richard; Wakamiya, Atsushi Molecular Orientation Change in Naphthalene Diimide Thin Films Induced by Removal of Thermally Cleavable Substituents Chemistry of Materials 31(5) (2019) 1729
Space group: P 1 21/c 1
Cell volume: 1118.3
Cell parameters: 15.214; 6.5316; 11.33; 90; 96.646; 90;  

COD ID: 4002956
CIF file Formula: - C17 H14 F3 N3 O2 S -
Comments: Wang, Kunlin; Mishra, Manish Kumar; Sun, Changquan Calvin Exceptionally Elastic Single-Component Pharmaceutical Crystals Chemistry of Materials 31(5) (2019) 1794
Space group: P -1
Cell volume: 817.84
Cell parameters: 5.0627; 10.0139; 16.3981; 89.874; 85.867; 80.53;  

COD ID: 4002957
CIF file Formula: - Bi Cl6 Cs2 Na -
Comments: Majher, Jackson D.; Gray, Matthew B.; Strom, T. Amanda; Woodward, Patrick M. Cs2NaBiCl6:Mn2+—A New Orange-Red Halide Double Perovskite Phosphor Chemistry of Materials 31(5) (2019) 1738
Space group: F m -3 m
Cell volume: 1274.78
Cell parameters: 10.8429; 10.8429; 10.8429; 90; 90; 90;  

COD ID: 4002958
CIF file Formula: - C23 H24 -
Comments: Abdulhamid, Mahmoud A.; Lai, Holden W. H.; Wang, Yingge; Jin, Zexin; Teo, Yew Chin; Ma, Xiaohua; Pinnau, Ingo; Xia, Yan Microporous Polyimides from Ladder Diamines Synthesized by Facile Catalytic Arene–Norbornene Annulation as High-Performance Membranes for Gas Separation Chemistry of Materials 31(5) (2019) 1767
Space group: P 1 21/n 1
Cell volume: 1685.4
Cell parameters: 5.5751; 25.0978; 12.0481; 90; 91.294; 90;  

COD ID: 4002959
CIF file Formula: - Li7 P S8 Si -
Comments: Harm, Sascha; Hatz, Anna-Katharina; Moudrakovski, Igor; Eger, Roland; Kuhn, Alexander; Hoch, Constantin; Lotsch, Bettina V. Lesson Learned from NMR: Characterization and Ionic Conductivity of LGPS-like Li7SiPS8 Chemistry of Materials 31(4) (2019) 1280
Space group: P n m a
Cell volume: 652.6
Cell parameters: 13.348; 7.9703; 6.1343; 90; 90; 90;  

COD ID: 4002960
CIF file Formula: - C49 H38 Cl2 N4 -
Comments: Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. Delayed Blue Fluorescence via Upper-Triplet State Crossing from C–C Bonded Donor–Acceptor Charge Transfer Molecules with Azatriangulene Cores Chemistry of Materials 31(17) (2019) 6684
Space group: P 1 21/c 1
Cell volume: 3773.1
Cell parameters: 12.8917; 15.4364; 18.9628; 90; 90.9808; 90;  

COD ID: 4002961
CIF file Formula: - C87 H54 F9 N7 -
Comments: Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores Chemistry of Materials 31(17) (2019) 6684
Space group: P 1 21/c 1
Cell volume: 20488.1
Cell parameters: 23.7795; 31.6796; 28.2823; 90; 105.925; 90;  

COD ID: 4002962
CIF file Formula: - C51 H33 F9 N4 -
Comments: Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. Delayed Blue Fluorescence via Upper-Triplet State Crossing from C–C Bonded Donor–Acceptor Charge Transfer Molecules with Azatriangulene Cores Chemistry of Materials 31(17) (2019) 6684
Space group: P 1 21/n 1
Cell volume: 4190.9
Cell parameters: 11.597; 11.7168; 30.9436; 90; 94.632; 90;  

COD ID: 4002963
CIF file Formula: - C85 H53 Cl8 N7 -
Comments: Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores Chemistry of Materials 31(17) (2019) 6684
Space group: P -1
Cell volume: 3526
Cell parameters: 13.5152; 15.9168; 16.6423; 85.84; 81.097; 87.662;  

COD ID: 4002964
CIF file Formula: - C48 H30 F18 N4 -
Comments: Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. Delayed Blue Fluorescence via Upper-Triplet State Crossing from C–C Bonded Donor–Acceptor Charge Transfer Molecules with Azatriangulene Cores Chemistry of Materials 31(17) (2019) 6684
Space group: P -1
Cell volume: 2105.66
Cell parameters: 8.8469; 14.7416; 17.2028; 78.926; 75.5208; 78.6689;  

COD ID: 4002965
CIF file Formula: - C78 H48 N4 -
Comments: Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. Delayed Blue Fluorescence via Upper-Triplet State Crossing from C–C Bonded Donor–Acceptor Charge Transfer Molecules with Azatriangulene Cores Chemistry of Materials 31(17) (2019) 6684
Space group: P -1
Cell volume: 2668.3
Cell parameters: 12.6152; 13.4441; 17.6978; 103.975; 108.229; 99.666;  

COD ID: 4002966
CIF file Formula: - C80.5 H59 Cl11 N4 -
Comments: Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores Chemistry of Materials 31(17) (2019) 6684
Space group: P -1
Cell volume: 3666.2
Cell parameters: 13.2691; 17.2803; 17.4319; 83.5287; 71.3655; 75.6091;  

COD ID: 4002967
CIF file Formula: - C32 H24 I3 N5 Pb -
Comments: Marchal, Nadège; Van Gompel, Wouter; Gélvez-Rueda, María C.; Vandewal, Koen; Van Hecke, Kristof; Boyen, Hans-Gerd; Conings, Bert; Herckens, Roald; Maheshwari, Sudeep; Lutsen, Laurence; Quarti, Claudio; Grozema, Ferdinand C.; Vanderzande, Dirk; Beljonne, David Lead-Halide Perovskites Meet Donor‒Acceptor Charge-Transfer Complexes Chemistry of Materials 31(17) (2019) 6880
Space group: I 1 a 1
Cell volume: 3186.23
Cell parameters: 8.0302; 42.395; 9.439; 90; 97.458; 90;  

COD ID: 4002968
CIF file Formula: - C12 H10 Se4 -
Comments: Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties Chemistry of Materials 31(17) (2019) 6696
Space group: P 1 21/c 1
Cell volume: 642.83
Cell parameters: 8.60863; 14.2697; 5.32468; 90; 100.651; 90;  

COD ID: 4002969
CIF file Formula: - C12 H10 S2 Se2 -
Comments: Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties Chemistry of Materials 31(17) (2019) 6696
Space group: P b c a
Cell volume: 1214.3
Cell parameters: 14.5203; 5.27442; 15.8554; 90; 90; 90;  

COD ID: 4002970
CIF file Formula: - C12 H10 S2 Se2 -
Comments: Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties Chemistry of Materials 31(17) (2019) 6696
Space group: P -1
Cell volume: 300.53
Cell parameters: 5.32021; 7.28902; 8.31911; 81.0598; 80.9249; 71.7042;  

COD ID: 4002971
CIF file Formula: - C12 H10 Se4 -
Comments: Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties Chemistry of Materials 31(17) (2019) 6696
Space group: P 1 21/c 1
Cell volume: 620.82
Cell parameters: 8.4327; 13.6718; 5.46391; 90; 99.7583; 90;  

COD ID: 4002972
CIF file Formula: - C14 H14 Se -
Comments: Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J. Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry Chemistry of Materials 31(17) (2019) 6598
Space group: P 21 21 21
Cell volume: 1194.23
Cell parameters: 7.13182; 7.33176; 22.8392; 90; 90; 90;  

COD ID: 4002973
CIF file Formula: - C14 H12 Se -
Comments: Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J. Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry Chemistry of Materials 31(17) (2019) 6598
Space group: P 1 21/c 1
Cell volume: 1105.9
Cell parameters: 9.74881; 6.68747; 16.9645; 90; 90.755; 90;  

COD ID: 4002974
CIF file Formula: - C22 H12 Br2 N2 O2 Se -
Comments: Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J. Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry Chemistry of Materials 31(17) (2019) 6598
Space group: C m c 21
Cell volume: 2079.43
Cell parameters: 6.64274; 18.4437; 16.9726; 90; 90; 90;  

COD ID: 4002975
CIF file Formula: - C22 H12 Br2 N2 O2 S -
Comments: Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J. Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry Chemistry of Materials 31(17) (2019) 6598
Space group: C m c 21
Cell volume: 2039.81
Cell parameters: 6.6092; 18.3407; 16.8277; 90; 90; 90;  

COD ID: 4002976
CIF file Formula: - C22 H12 Cl2 N2 O2 Se -
Comments: Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J. Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry Chemistry of Materials 31(17) (2019) 6598
Space group: P -1
Cell volume: 990.66
Cell parameters: 6.6291; 9.706; 16.5873; 77.051; 88.795; 72.485;  

COD ID: 4002977
CIF file Formula: - C6 H24 Bi2 I10 N4 O2 -
Comments: Pious, Johnpaul K.; Katre, Ankita; Muthu, Chinnadurai; Chakraborty, Sudip; Krishna, Swathi; Nair, Vijayakumar C. Zero-Dimensional Lead-Free Hybrid Perovskite-like Material with a Quantum-Well Structure Chemistry of Materials 31(6) (2019) 1941
Space group: P 31 2 1
Cell volume: 2585.9
Cell parameters: 14.7769; 14.7769; 13.6748; 90; 90; 120;  

COD ID: 4002978
CIF file Formula: - Ga2 Li Rh -
Comments: Carnicom, Elizabeth M.; Xie, Weiwei; Yang, Zoe; Górnicka, Karolina; Kong, Tai; Klimczuk, Tomasz; Cava, Robert J. Importance of Specific Heat Characterization when Reporting New Superconductors: An Example of Superconductivity in LiGa2Rh Chemistry of Materials 31(6) (2019) 2164
Space group: F m -3 m
Cell volume: 215.97
Cell parameters: 5.9997; 5.9997; 5.9997; 90; 90; 90;  

COD ID: 4002979
CIF file Formula: - C3 H0 Br Cs0 Lu8 N0 O25 Zn0 -
Comments: Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials Chemistry of Materials 31(6) (2019) 2130
Space group: P 63
Cell volume: 1096.2
Cell parameters: 9.344; 9.344; 14.498; 90; 90; 120;  

COD ID: 4002980
CIF file Formula: - C3 H0 Br Cs0 N0 O25 Y8 Zn0 -
Comments: Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials Chemistry of Materials 31(6) (2019) 2130
Space group: P 63
Cell volume: 1151.2
Cell parameters: 9.4927; 9.4927; 14.752; 90; 90; 120;  

COD ID: 4002981
CIF file Formula: - C3 Cl Lu8 O25 -
Comments: Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials Chemistry of Materials 31(6) (2019) 2130
Space group: P 63
Cell volume: 1092.3
Cell parameters: 9.354; 9.354; 14.415; 90; 90; 120;  

COD ID: 4002982
CIF file Formula: - C3 H15 Cl O25 Y8 -
Comments: Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials Chemistry of Materials 31(6) (2019) 2130
Space group: P 63
Cell volume: 1159.8
Cell parameters: 9.5353; 9.5353; 14.729; 90; 90; 120;  

COD ID: 4002985
CIF file Formula: - Mn4 Sb18 Yb21 -
Comments: He, Allan; Bux, Sabah K.; Hu, Yufei; Uhl, David; Li, Li; Donadio, Davide; Kauzlarich, Susan M. Structural Complexity and High Thermoelectric Performance of the Zintl Phase: Yb21Mn4Sb18 Chemistry of Materials 31(19) (2019) 8076
Space group: C 1 2/c 1
Cell volume: 4807.6
Cell parameters: 16.93; 17.029; 16.693; 90; 92.61; 90;  

COD ID: 4002986
CIF file Formula: - C94 H80 Br2 N4 O2 S4 -
Comments: Qu, Jianfei; Li, Duning; Wang, Huan; Zhou, Jiadong; Zheng, Nan; Lai, Hanjian; Liu, Tao; Xie, Zengqi; He, Feng Bromination of the Small-Molecule Acceptor with Fixed Position for High-Performance Solar Cells Chemistry of Materials 31(19) (2019) 8044
Space group: P 1 21/n 1
Cell volume: 7936.9
Cell parameters: 15.8869; 18.505; 27.6655; 90; 102.617; 90;  

COD ID: 4002987
CIF file Formula: - Li3.21 P0.85 S4 Si0.15 -
Comments: Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F. An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4 Chemistry of Materials 31(19) (2019) 7801
Space group: P n m a
Cell volume: 646.46
Cell parameters: 13.0467; 8.0707; 6.1395; 90; 90; 90;  

COD ID: 4002988
CIF file Formula: - Li3.58 P0.5 S4 Si0.5 -
Comments: Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F. An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4 Chemistry of Materials 31(19) (2019) 7801
Space group: P n m a
Cell volume: 650.42
Cell parameters: 13.4165; 7.9107; 6.1283; 90; 90; 90;  

COD ID: 4002989
CIF file Formula: - Li3.83 P0.2 S4 Si0.8 -
Comments: Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F. An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4 Chemistry of Materials 31(19) (2019) 7801
Space group: P 1 21/m 1
Cell volume: 327.1
Cell parameters: 6.112; 7.781; 6.88; 90; 91.147; 90;  

COD ID: 4002990
CIF file Formula: - Li3.66 P0.33 S4 Si0.67 -
Comments: Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F. An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4 Chemistry of Materials 31(19) (2019) 7801
Space group: P n m a
Cell volume: 654.59
Cell parameters: 13.675; 7.7946; 6.1411; 90; 90; 90;  

COD ID: 4002991
CIF file Formula: - Li3.28 P0.75 S4 Si0.25 -
Comments: Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F. An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4 Chemistry of Materials 31(19) (2019) 7801
Space group: P n m a
Cell volume: 647.44
Cell parameters: 13.158; 8.0286; 6.1287; 90; 90; 90;  

COD ID: 4002992
CIF file Formula: - Li3.23 P0.75 S4 Si0.25 -
Comments: Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F. An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4 Chemistry of Materials 31(19) (2019) 7801
Space group: P n m a
Cell volume: 646.7
Cell parameters: 13.156; 8.016; 6.132; 90; 90; 90;  

COD ID: 4002993
CIF file Formula: - Li3.33 P0.67 S4 Si0.33 -
Comments: Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F. An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4 Chemistry of Materials 31(19) (2019) 7801
Space group: P n m a
Cell volume: 650.61
Cell parameters: 13.2489; 8.0094; 6.1311; 90; 90; 90;  

COD ID: 4002994
CIF file Formula: - C14 H18 Cl2 I4 N2 Pb -
Comments: Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R. Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits Chemistry of Materials 31(16) (2019) 6145
Space group: P 1 21 1
Cell volume: 1219.55
Cell parameters: 8.63101; 8.95452; 15.8648; 90; 95.9401; 90;  

COD ID: 4002995
CIF file Formula: - C14 H18 Br2 I4 N2 Pb -
Comments: Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R. Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits Chemistry of Materials 31(16) (2019) 6145
Space group: P 1 21 1
Cell volume: 1212.26
Cell parameters: 8.6061; 8.9116; 15.8703; 90; 95.141; 90;  

COD ID: 4002996
CIF file Formula: - C14 H18 F2 I4 N2 Pb -
Comments: Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R. Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits Chemistry of Materials 31(16) (2019) 6145
Space group: P 1 21/n 1
Cell volume: 2193.13
Cell parameters: 8.69555; 9.24417; 27.5255; 90; 97.6029; 90;  

COD ID: 4002997
CIF file Formula: - C14 H18 I6 N2 Pb -
Comments: Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R. Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits Chemistry of Materials 31(16) (2019) 6145
Space group: P 1 21/c 1
Cell volume: 1272.46
Cell parameters: 16.9722; 8.8779; 8.67966; 90; 103.356; 90;  

COD ID: 4002998
CIF file Formula: - C64 H34 N6 Ni3 O6 S0.67 -
Comments: Elbert, Sven M.; Zhang, Wen-Shan; Vaynzof, Yana; Oberhof, Nils; Bernhardt, Moritz; Pernpointner, Markus; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael Metal-Assisted Salphen Organic Frameworks (MaSOFs) with Trinuclear Metal Units for Synergic Gas Sorption Chemistry of Materials 31(16) (2019) 6210
Space group: R -3 :H
Cell volume: 9666.8
Cell parameters: 19.4841; 19.4841; 29.403; 90; 90; 120;  

COD ID: 4002999
CIF file Formula: - C76 H70 Cu3 N6 O12 S6 -
Comments: Elbert, Sven M.; Zhang, Wen-Shan; Vaynzof, Yana; Oberhof, Nils; Bernhardt, Moritz; Pernpointner, Markus; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael Metal-Assisted Salphen Organic Frameworks (MaSOFs) with Trinuclear Metal Units for Synergic Gas Sorption Chemistry of Materials 31(16) (2019) 6210
Space group: R -3 :H
Cell volume: 9964
Cell parameters: 19.647; 19.647; 29.805; 90; 90; 120;  

COD ID: 4003000
CIF file Formula: - C20 H14 Ba5 Cl10 F20 O27 -
Comments: Dissanayake, K. Tauni; Amarasinghe, Dinesh K.; Suescun, Leopoldo; Rabuffetti, Federico A. Accessing Mixed-Halide Upconverters Using Heterohaloacetate Precursors Chemistry of Materials 31(16) (2019) 6262
Space group: P 21 21 21
Cell volume: 5671.1
Cell parameters: 13.739; 19.3401; 21.343; 90; 90; 90;  

COD ID: 4003001
CIF file Formula: - C12 H7 Cu O7 -
Comments: Tian, Yuanmeng; Liang, Gan; Fan, Tao; Shang, Jin; Shang, Shanshan; Ma, Yunsheng; Matsuda, Ryotaro; Liu, Mingxian; Wang, Man; Li, Liangchun; Kitagawa, Susumu Grafting Free Carboxylic Acid Groups onto the Pore Surface of 3D Porous Coordination Polymers for High Proton Conductivity Chemistry of Materials 31(20) (2019) 8494
Space group: R -3 m :H
Cell volume: 11595.4
Cell parameters: 18.6737; 18.6737; 38.3967; 90; 90; 120;  

COD ID: 4003002
CIF file Formula: - C13 H5 Cu O9 -
Comments: Tian, Yuanmeng; Liang, Gan; Fan, Tao; Shang, Jin; Shang, Shanshan; Ma, Yunsheng; Matsuda, Ryotaro; Liu, Mingxian; Wang, Man; Li, Liangchun; Kitagawa, Susumu Grafting Free Carboxylic Acid Groups onto the Pore Surface of 3D Porous Coordination Polymers for High Proton Conductivity Chemistry of Materials 31(20) (2019) 8494
Space group: R -3 m :H
Cell volume: 11628.8
Cell parameters: 18.8598; 18.8598; 37.7513; 90; 90; 120;  

COD ID: 4003003
CIF file Formula: - C28 H38 Cl0 N2 O0 S4 -
Comments: Cao, Zhixiong; Chen, Jiale; Liu, Shengjian; Qin, Minchao; Jia, Tao; Zhao, Jiaji; Li, Qingduan; Ying, Lei; Cai, Yue-Peng; Lu, Xinhui; Huang, Fei; Cao, Yong Understanding of Imine Substitution in Wide-Bandgap Polymer Donor-Induced Efficiency Enhancement in All-Polymer Solar Cells Chemistry of Materials 31(20) (2019) 8533
Space group: P 1 21/c 1
Cell volume: 2758.1
Cell parameters: 15.4911; 5.4136; 33.149; 90; 97.184; 90;  

COD ID: 4003004
CIF file Formula: - As8 Mg3 Si3 -
Comments: Wang, Jian; Mark, Justin; Woo, Katherine E.; Voyles, Jackson; Kovnir, Kirill Chemical Flexibility of Mg in Pnictide Materials: Structure and Properties Diversity Chemistry of Materials 31(20) (2019) 8286
Space group: P n m a
Cell volume: 1242.87
Cell parameters: 12.5046; 7.6471; 12.9975; 90; 90; 90;  

COD ID: 4003005
CIF file Formula: - C12 H18 I4 N2 Pb S2 -
Comments: Jana, Manoj K.; Liu, Chi; Lidin, Sven; Dirkes, David J.; You, Wei; Blum, Volker; Mitzi, David B. Resolving Rotational Stacking Disorder and Electronic Level Alignment in a 2D Oligothiophene-Based Lead Iodide Perovskite Chemistry of Materials 31(20) (2019) 8523
Space group: C 1 2/c 1
Cell volume: 2245.02
Cell parameters: 29.7184; 6.1756; 12.247; 90; 92.7847; 90;  

COD ID: 4003006
CIF file Formula: - C2 H14 I4 N4 Pb -
Comments: Mączka, Mirosław; Ptak, Maciej; Gągor, Anna; Stefańska, Dagmara; Sieradzki, Adam Layered Lead Iodide of [Methylhydrazinium]2PbI4 with a Reduced Band Gap: Thermochromic Luminescence and Switchable Dielectric Properties Triggered by Structural Phase Transitions Chemistry of Materials 31(20) (2019) 8563
Space group: P c c n
Cell volume: 4575.4
Cell parameters: 18.6809; 19.188; 12.7644; 90; 90; 90;  

COD ID: 4003007
CIF file Formula: - C2 H14 I4 N4 Pb -
Comments: Mączka, Mirosław; Ptak, Maciej; Gągor, Anna; Stefańska, Dagmara; Sieradzki, Adam Layered Lead Iodide of [Methylhydrazinium]2PbI4 with a Reduced Band Gap: Thermochromic Luminescence and Switchable Dielectric Properties Triggered by Structural Phase Transitions Chemistry of Materials 31(20) (2019) 8563
Space group: P -1
Cell volume: 4452
Cell parameters: 18.466; 19.0768; 12.638; 89.996; 90.032; 90.004;  

COD ID: 4003008
CIF file Formula: - C89.5 H86.9 Ag29 Cs3 N5.75 O7 S24 -
Comments: Wei, Xiao; Kang, Xi; Yuan, Qianqin; Qin, Chenwanli; Jin, Shan; Wang, Shuxin; Zhu, Manzhou Capture of Cesium Ions with Nanoclusters: Effects on Inter- and Intramolecular Assembly Chemistry of Materials 31(13) (2019) 4945
Space group: P b c n
Cell volume: 28984.6
Cell parameters: 35.1264; 27.9091; 29.5657; 90; 90; 90;  

COD ID: 4003009
CIF file Formula: - C14 H22 N4 Zn -
Comments: Titi, Hatem M.; Arhangelskis, Mihails; Katsenis, Athanassios D.; Mottillo, Cristina; Ayoub, Ghada; Do, Jean-Louis; Fidelli, Athena M.; Rogers, Robin D.; Friščić, Tomislav Metal–Organic Frameworks as Fuels for Advanced Applications: Evaluating and Modifying the Combustion Energy of Popular MOFs Chemistry of Materials 31(13) (2019) 4882
Space group: I a -3 d
Cell volume: 19173
Cell parameters: 26.7649; 26.7649; 26.7649; 90; 90; 90;  

COD ID: 4003010
CIF file Formula: - C32 H38 Co5 N4 O26 -
Comments: Qazvini, Omid T.; Babarao, Ravichandar; Telfer, Shane G. Multipurpose Metal‒Organic Framework for the Adsorption of Acetylene: Ethylene Purification and Carbon Dioxide Removal Chemistry of Materials 31(13) (2019) 4919
Space group: C 1 2/c 1
Cell volume: 8678.2
Cell parameters: 35.4961; 11.188; 21.9119; 90; 94.224; 90;  

COD ID: 4003011
CIF file Formula: - Nb2 Pd0.45 S4 -
Comments: Huang, Chong; Wang, Xin; Wang, Dong; Zhao, Wei; Bu, Kejun; Xu, Jijian; Huang, Xieyi; Bi, Qingyuan; Huang, Jian; Huang, Fuqiang Atomic Pillar Effect in PdxNbS2 To Boost Basal Plane Activity for Stable Hydrogen Evolution Chemistry of Materials 31(13) (2019) 4726
Space group: P 63/m m c
Cell volume: 117.86
Cell parameters: 3.3379; 3.3379; 12.2147; 90; 90; 120;  

COD ID: 4003012
CIF file Formula: - B Fe -
Comments: Bocarsly, Joshua D.; Levin, Emily E.; Humphrey, Samuel A.; Faske, Tom; Donner, Wolfgang; Wilson, Stephen D.; Seshadri, Ram Magnetostructural Coupling Drives Magnetocaloric Behavior: The Case of MnB versus FeB Chemistry of Materials 31(13) (2019) 4873
Space group: P n m a
Cell volume: 65.852
Cell parameters: 5.502008; 2.948246; 4.059604; 90; 90; 90;  

COD ID: 4003013
CIF file Formula: - B Mn -
Comments: Bocarsly, Joshua D.; Levin, Emily E.; Humphrey, Samuel A.; Faske, Tom; Donner, Wolfgang; Wilson, Stephen D.; Seshadri, Ram Magnetostructural Coupling Drives Magnetocaloric Behavior: The Case of MnB versus FeB Chemistry of Materials 31(13) (2019) 4873
Space group: P n m a
Cell volume: 68.6815
Cell parameters: 5.563182; 2.97685; 4.147243; 90; 90; 90;  

COD ID: 4003014
CIF file Formula: - C11 H23 Cl2 N5 O3 Ru S -
Comments: Cole, Jacqueline M.; Velazquez-Garcia, Jose de J.; Gosztola, David J.; Wang, SuYin Grass; Chen, Yu-Sheng Light-Induced Macroscopic Peeling of Single Crystal Driven by Photoisomeric Nano-Optical Switching Chemistry of Materials 31(13) (2019) 4927
Space group: P 1 21/m 1
Cell volume: 918.6
Cell parameters: 9.313; 7.0555; 14.116; 90; 97.977; 90;  

COD ID: 4003015
CIF file Formula: - C11 H23 Cl2 N5 O3 Ru S -
Comments: Cole, Jacqueline M.; Velazquez-Garcia, Jose de J.; Gosztola, David J.; Wang, SuYin Grass; Chen, Yu-Sheng Light-Induced Macroscopic Peeling of Single Crystal Driven by Photoisomeric Nano-Optical Switching Chemistry of Materials 31(13) (2019) 4927
Space group: P 1 21 1
Cell volume: 922.2
Cell parameters: 9.224; 7.117; 14.262; 90; 99.945; 90;  

COD ID: 4003016
CIF file Formula: - Fe1.055 Li0.945 O4 P0.837 -
Comments: Sumanov, Vasily D.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor; Sobolev, Alexey V.; Glazkova, Iana; Tsirlin, Alexander A.; Rupasov, Dmitry; Senyshyn, Anatoliy; Kolesnik, Irina V.; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M. “Hydrotriphylites” Li1‒xFe1+x(PO4)1‒y(OH)4y as Cathode Materials for Li-ion Batteries Chemistry of Materials 31(14) (2019) 5035
Space group: P 21 m a
Cell volume: 293.118
Cell parameters: 10.3676; 5.99871; 4.71309; 90; 90; 90;  

COD ID: 4003017
CIF file Formula: - Fe1.035 Li0.965 O4 P0.905 -
Comments: Sumanov, Vasily D.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor; Sobolev, Alexey V.; Glazkova, Iana; Tsirlin, Alexander A.; Rupasov, Dmitry; Senyshyn, Anatoliy; Kolesnik, Irina V.; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M. “Hydrotriphylites” Li1‒xFe1+x(PO4)1‒y(OH)4y as Cathode Materials for Li-ion Batteries Chemistry of Materials 31(14) (2019) 5035
Space group: P 21 m a
Cell volume: 291.38
Cell parameters: 10.3385; 5.99521; 4.70108; 90; 90; 90;  

COD ID: 4003018
CIF file Formula: - C28 H6 F10 O2 S2 -
Comments: Usta, Hakan; Kim, Dojeon; Ozdemir, Resul; Zorlu, Yunus; Kim, Sanghyo; Ruiz Delgado, M. Carmen; Harbuzaru, Alexandra; Kim, Seonhyoung; Demirel, Gökhan; Hong, Jongin; Ha, Young-Geun; Cho, Kilwon; Facchetti, Antonio; Kim, Myung-Gil High Electron Mobility in [1]Benzothieno[3,2-b][1]benzothiophene-Based Field-Effect Transistors: Toward n-Type BTBTs Chemistry of Materials 31(14) (2019) 5254
Space group: C 1 2/c 1
Cell volume: 2291.3
Cell parameters: 43.611; 7.3973; 7.1455; 90; 96.283; 90;  

COD ID: 4003019
CIF file Formula: - Cl3 Cs Mn0.1 Sn0.9 -
Comments: Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission Chemistry of Materials 31(14) (2019) 4999
Space group: P m -3 m
Cell volume: 172.25
Cell parameters: 5.564; 5.564; 5.564; 90; 90; 90;  

COD ID: 4003020
CIF file Formula: - Cl3 Cs Mn0.1 Sn0.9 -
Comments: Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission Chemistry of Materials 31(14) (2019) 4999
Space group: P m -3 m
Cell volume: 169.82
Cell parameters: 5.5377; 5.5377; 5.5377; 90; 90; 90;  

COD ID: 4003021
CIF file Formula: - Cl3 Cs Mn0.1 Sn0.9 -
Comments: Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission Chemistry of Materials 31(14) (2019) 4999
Space group: P m -3 m
Cell volume: 171.13
Cell parameters: 5.5519; 5.5519; 5.5519; 90; 90; 90;  

COD ID: 4003022
CIF file Formula: - Cl3 Cs In0.07 Sn0.9 -
Comments: Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission Chemistry of Materials 31(14) (2019) 4999
Space group: P m -3 m
Cell volume: 167.01
Cell parameters: 5.507; 5.507; 5.507; 90; 90; 90;  

COD ID: 4003023
CIF file Formula: - Cl3 Cs In0.07 Sn0.9 -
Comments: Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission Chemistry of Materials 31(14) (2019) 4999
Space group: P m -3 m
Cell volume: 169.87
Cell parameters: 5.5382; 5.5382; 5.5382; 90; 90; 90;  

COD ID: 4003024
CIF file Formula: - Cl3 Cs In0.07 Sn0.9 -
Comments: Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission Chemistry of Materials 31(14) (2019) 4999
Space group: P m -3 m
Cell volume: 171.81
Cell parameters: 5.5592; 5.5592; 5.5592; 90; 90; 90;  

COD ID: 4003025
CIF file Formula: - Bi2 Cl3 Cs3 I6 -
Comments: McCall, Kyle M.; Stoumpos, Constantinos C.; Kontsevoi, Oleg Y.; Alexander, Grant C. B.; Wessels, Bruce W.; Kanatzidis, Mercouri G. From 0D Cs3Bi2I9 to 2D Cs3Bi2I6Cl3: Dimensional Expansion Induces a Direct Band Gap but Enhances Electron‒Phonon Coupling Chemistry of Materials 31(7) (2019) 2644
Space group: P -3 m 1
Cell volume: 589.7
Cell parameters: 8.2432; 8.2432; 10.021; 90; 90; 120;  

COD ID: 4003026
CIF file Formula: - Ba Be20 N14 -
Comments: Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence Chemistry of Materials 31(9) (2019) 3174
Space group: I 4/m
Cell volume: 522.4
Cell parameters: 6.54; 6.54; 12.214; 90; 90; 90;  

COD ID: 4003027
CIF file Formula: - Be20 Eu N14 -
Comments: Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence Chemistry of Materials 31(9) (2019) 3174
Space group: I 4/m
Cell volume: 516.54
Cell parameters: 6.5241; 6.5241; 12.1357; 90; 90; 90;  

COD ID: 4003028
CIF file Formula: - Be20 N14 Sr -
Comments: Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence Chemistry of Materials 31(9) (2019) 3174
Space group: I 4/m
Cell volume: 516.6
Cell parameters: 6.525; 6.525; 12.133; 90; 90; 90;  

COD ID: 4003029
CIF file Formula: - Ni P2 -
Comments: Owens-Baird, Bryan; Xu, Junyuan; Petrovykh, Dmitri Y.; Bondarchuk, Oleksandr; Ziouani, Yasmine; González-Ballesteros, Noelia; Yox, Philip; Sapountzi, Foteini M.; Niemantsverdriet, Hans; Kolen’ko, Yury V.; Kovnir, Kirill NiP2: A Story of Two Divergent Polymorphic Multifunctional Materials Chemistry of Materials 31(9) (2019) 3407
Space group: P a -3
Cell volume: 161.656
Cell parameters: 5.4475; 5.4475; 5.4475; 90; 90; 90;  

COD ID: 4003030
CIF file Formula: - Ni P2 -
Comments: Owens-Baird, Bryan; Xu, Junyuan; Petrovykh, Dmitri Y.; Bondarchuk, Oleksandr; Ziouani, Yasmine; González-Ballesteros, Noelia; Yox, Philip; Sapountzi, Foteini M.; Niemantsverdriet, Hans; Kolen’ko, Yury V.; Kovnir, Kirill NiP2: A Story of Two Divergent Polymorphic Multifunctional Materials Chemistry of Materials 31(9) (2019) 3407
Space group: C 1 2/c 1
Cell volume: 175.139
Cell parameters: 6.3742; 5.6156; 5.6288; 90; 119.628; 90;  

COD ID: 4003031
CIF file Formula: - C6 H18 Br4 N2 O2 Pb -
Comments: Zhou, Guojun; Jiang, Xingxing; Molokeev, Maxim; Lin, Zheshuai; Zhao, Jing; Wang, Jing; Xia, Zhiguo Optically Modulated Ultra-Broad-Band Warm White Emission in Mn2±Doped (C6H18N2O2)PbBr4 Hybrid Metal Halide Phosphor Chemistry of Materials 31(15) (2019) 5788
Space group: P 1 21/c 1
Cell volume: 1567.54
Cell parameters: 6.1145; 28.731; 8.9259; 90; 91.487; 90;  

COD ID: 4003032
CIF file Formula: - C108 H64 O32 Zr6 -
Comments: Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways Chemistry of Materials 31(15) (2019) 5550
Space group: C m c m
Cell volume: 17696.2
Cell parameters: 24.4853; 42.1654; 17.1403; 90; 90; 90;  

COD ID: 4003033
CIF file Formula: - C108 H64 O32 Zr6 -
Comments: Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways Chemistry of Materials 31(15) (2019) 5550
Space group: F m m m
Cell volume: 18831.1
Cell parameters: 16.1063; 28.5501; 40.9518; 90; 90; 90;  

COD ID: 4003034
CIF file Formula: - C108 H64 O32 Zr6 -
Comments: Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways Chemistry of Materials 31(15) (2019) 5550
Space group: C m m m
Cell volume: 16265.4
Cell parameters: 21.4419; 42.3169; 17.9262; 90; 90; 90;  

COD ID: 4003035
CIF file Formula: - C108 H64 O32 Zr6 -
Comments: Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways Chemistry of Materials 31(15) (2019) 5550
Space group: F m m m
Cell volume: 18988.5
Cell parameters: 16.0688; 28.8004; 41.0306; 90; 90; 90;  

COD ID: 4003036
CIF file Formula: - C108 H64 O32 Zr6 -
Comments: Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways Chemistry of Materials 31(15) (2019) 5550
Space group: C m m m
Cell volume: 16116.6
Cell parameters: 21.1937; 42.4945; 17.8951; 90; 90; 90;  

COD ID: 4003037
CIF file Formula: - C108 H64 O32 Zr6 -
Comments: Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways Chemistry of Materials 31(15) (2019) 5550
Space group: C m m m
Cell volume: 18163.7
Cell parameters: 25.7916; 41.7841; 16.8545; 90; 90; 90;  

COD ID: 4003038
CIF file Formula: - C108 H64 O32 Zr6 -
Comments: Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways Chemistry of Materials 31(15) (2019) 5550
Space group: C m c m
Cell volume: 18557
Cell parameters: 26.6952; 41.2943; 16.8339; 90; 90; 90;  

COD ID: 4003039
CIF file Formula: - C108 H64 O32 Zr6 -
Comments: Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways Chemistry of Materials 31(15) (2019) 5550
Space group: C m m m
Cell volume: 15710.4
Cell parameters: 20.557; 42.7525; 17.8758; 90; 90; 90;  

COD ID: 4003040
CIF file Formula: - C108 H64 O32 Zr6 -
Comments: Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways Chemistry of Materials 31(15) (2019) 5550
Space group: C m m m
Cell volume: 16076.8
Cell parameters: 21.0637; 42.3687; 18.0144; 90; 90; 90;  

COD ID: 4003041
CIF file Formula: - C2.56 H1.94 N0.22 O0.22 -
Comments: Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications Chemistry of Materials 31(15) (2019) 5584
Space group: P -1
Cell volume: 1779
Cell parameters: 8.0335; 13.03; 18.499; 103.47; 97.48; 105.21;  

COD ID: 4003042
CIF file Formula: - C22 H16 N2 O2 -
Comments: Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications Chemistry of Materials 31(15) (2019) 5584
Space group: P 21 21 21
Cell volume: 1720.4
Cell parameters: 9.362; 11.627; 15.805; 90; 90; 90;  

COD ID: 4003043
CIF file Formula: - C24 H20 N2 O2 -
Comments: Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications Chemistry of Materials 31(15) (2019) 5584
Space group: P c a 21
Cell volume: 1887.3
Cell parameters: 16.771; 13.662; 8.2368; 90; 90; 90;  

COD ID: 4003044
CIF file Formula: - C25 H22 N2 O2 -
Comments: Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications Chemistry of Materials 31(15) (2019) 5584
Space group: P b c a
Cell volume: 4022.2
Cell parameters: 16.813; 7.4763; 31.999; 90; 90; 90;  

COD ID: 4003045
CIF file Formula: - C8 H16 Co O12 -
Comments: Ayoub, Ghada; Karadeniz, Bahar; Howarth, Ashlee J.; Farha, Omar K.; Đilović, Ivica; Germann, Luzia S.; Dinnebier, Robert E.; Užarević, Krunoslav; Friščić, Tomislav Rational Synthesis of Mixed-Metal Microporous Metal‒Organic Frameworks with Controlled Composition Using Mechanochemistry Chemistry of Materials 31(15) (2019) 5494
Space group: P -1
Cell volume: 697.62
Cell parameters: 6.93886; 8.694; 12.4532; 88.911; 87.481; 68.358;  

COD ID: 4003046
CIF file Formula: - C8 H16 Ni O12 -
Comments: Ayoub, Ghada; Karadeniz, Bahar; Howarth, Ashlee J.; Farha, Omar K.; Đilović, Ivica; Germann, Luzia S.; Dinnebier, Robert E.; Užarević, Krunoslav; Friščić, Tomislav Rational Synthesis of Mixed-Metal Microporous Metal‒Organic Frameworks with Controlled Composition Using Mechanochemistry Chemistry of Materials 31(15) (2019) 5494
Space group: P -1
Cell volume: 689.16
Cell parameters: 6.9497; 8.6455; 12.4065; 89.144; 87.701; 67.707;  

COD ID: 4003047
CIF file Formula: - C7 H19 I3 N2 O Pb -
Comments: Dahlman, Clayton J.; DeCrescent, Ryan A.; Venkatesan, Naveen R.; Kennard, Rhys M.; Wu, Guang; Everest, Michael A.; Schuller, Jon A.; Chabinyc, Michael L. Controlling Solvate Intermediate Growth for Phase-Pure Organic Lead Iodide Ruddlesden‒Popper (C4H9NH3)2(CH3NH3)n−1PbnI3n+1 Perovskite Thin Films Chemistry of Materials 31(15) (2019) 5832
Space group: P -1
Cell volume: 855
Cell parameters: 4.618; 12.47; 15.1; 89.59; 82.08; 83.28;  

COD ID: 4003048
CIF file Formula: - C4 H13 I3 N2 O Pb -
Comments: Dahlman, Clayton J.; DeCrescent, Ryan A.; Venkatesan, Naveen R.; Kennard, Rhys M.; Wu, Guang; Everest, Michael A.; Schuller, Jon A.; Chabinyc, Michael L. Controlling Solvate Intermediate Growth for Phase-Pure Organic Lead Iodide Ruddlesden‒Popper (C4H9NH3)2(CH3NH3)n−1PbnI3n+1 Perovskite Thin Films Chemistry of Materials 31(15) (2019) 5832
Space group: P 1 21/c 1
Cell volume: 1403.2
Cell parameters: 4.5723; 25.3424; 12.1782; 90; 96.075; 90;  

COD ID: 4003049
CIF file Formula: - C4 H14 Bi I5 N2 -
Comments: Tao, Kewen; Li, Yaobin; Ji, Chengmin; Liu, Xitao; Wu, Zhenyue; Han, Shiguo; Sun, Zhihua; Luo, Junhua A Lead-Free Hybrid Iodide with Quantitative Response to X-ray Radiation Chemistry of Materials 31(15) (2019) 5927
Space group: P n a 21
Cell volume: 1691.33
Cell parameters: 18.3099; 10.9142; 8.4635; 90; 90; 90;  

COD ID: 4003050
CIF file Formula: - O7 P2 V -
Comments: Drozhzhin, Oleg A.; Tertov, Ilya V.; Alekseeva, Anastasia M.; Aksyonov, Dmitry A.; Stevenson, Keith J.; Abakumov, Artem M.; Antipov, Evgeny V. β-NaVP2O7 as a Superior Electrode Material for Na-Ion Batteries Chemistry of Materials 31(18) (2019) 7463
Space group: P -1
Cell volume: 272.2
Cell parameters: 7.819; 6.147; 6.133; 105.28; 103.21; 96.37;  

COD ID: 4003051
CIF file Formula: - Na O7 P2 V -
Comments: Drozhzhin, Oleg A.; Tertov, Ilya V.; Alekseeva, Anastasia M.; Aksyonov, Dmitry A.; Stevenson, Keith J.; Abakumov, Artem M.; Antipov, Evgeny V. β-NaVP2O7 as a Superior Electrode Material for Na-Ion Batteries Chemistry of Materials 31(18) (2019) 7463
Space group: P 1 21/c 1
Cell volume: 547.17
Cell parameters: 7.1142; 10.0709; 8.0816; 90; 109.091; 90;  

COD ID: 4003052
CIF file Formula: - C11.75 H11.75 N11.75 O11.75 Zn11.75 -
Comments: Li, Lan; Yi, Jun-Dong; Fang, Zhi-Bin; Wang, Xu-Sheng; Liu, Nan; Chen, Ya-Nan; Liu, Tian-Fu; Cao, Rong Creating Giant Secondary Building Layers via Alkali-Etching Exfoliation for Precise Synthesis of Metal‒Organic Frameworks Chemistry of Materials 31(18) (2019) 7584
Space group: I 4/m
Cell volume: 7575.1
Cell parameters: 13.3591; 13.3591; 42.446; 90; 90; 90;  

COD ID: 4003053
CIF file Formula: - Cd Nb O3.39 S0.11 -
Comments: Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A. Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx Chemistry of Materials 31(18) (2019) 7626
Space group: F d d 2
Cell volume: 1163.4
Cell parameters: 10.49049; 10.56034; 10.50156; 90; 90; 90;  

COD ID: 4003054
CIF file Formula: - Cd0.98 Nb O3.45 -
Comments: Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A. Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx Chemistry of Materials 31(18) (2019) 7626
Space group: F d -3 m :2
Cell volume: 1116.26
Cell parameters: 10.373405; 10.373405; 10.373405; 90; 90; 90;  

COD ID: 4003055
CIF file Formula: - Cd Nb O3.14 S0.36 -
Comments: Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A. Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx Chemistry of Materials 31(18) (2019) 7626
Space group: P 21 21 21
Cell volume: 590.233
Cell parameters: 7.47367; 7.473783; 10.56693; 90; 90; 90;  

COD ID: 4003056
CIF file Formula: - Cd Nb O3.14 S0.36 -
Comments: Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A. Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx Chemistry of Materials 31(18) (2019) 7626
Space group: F d -3 m :2
Cell volume: 1181.26
Cell parameters: 10.570977; 10.570977; 10.570977; 90; 90; 90;  

COD ID: 4003057
CIF file Formula: - Cd Nb O3.39 S0.11 -
Comments: Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A. Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx Chemistry of Materials 31(18) (2019) 7626
Space group: F d -3 m :2
Cell volume: 1164.76
Cell parameters: 10.521513; 10.521513; 10.521513; 90; 90; 90;  

COD ID: 4003058
CIF file Formula: - Cd0.98 Nb O3.45 -
Comments: Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A. Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx Chemistry of Materials 31(18) (2019) 7626
Space group: I m a 2
Cell volume: 556.517
Cell parameters: 7.320662; 10.370384; 7.330492; 90; 90; 90;  

COD ID: 4003059
CIF file Formula: - C17.12 H8 Br Hf1.5 O8 -
Comments: Lyu, Jiafei; Zhang, Xuan; Li, Peng; Wang, Xingjie; Buru, Cassandra T.; Bai, Peng; Guo, Xianghai; Farha, Omar K. Exploring the Role of Hexanuclear Clusters as Lewis Acidic Sites in Isostructural Metal‒Organic Frameworks Chemistry of Materials 31(11) (2019) 4166
Space group: P 6/m m m
Cell volume: 16320
Cell parameters: 39.768; 39.768; 11.9155; 90; 90; 120;  

COD ID: 4003060
CIF file Formula: - C24 H33 B F4 N O6 S -
Comments: Attanayake, N. Harsha; Kowalski, Jeffrey A.; Greco, Katharine V.; Casselman, Matthew D.; Milshtein, Jarrod D.; Chapman, Steven J.; Parkin, Sean R.; Brushett, Fikile R.; Odom, Susan A. Tailoring Two-Electron-Donating Phenothiazines To Enable High-Concentration Redox Electrolytes for Use in Nonaqueous Redox Flow Batteries Chemistry of Materials 31(12) (2019) 4353
Space group: P 1 21/c 1
Cell volume: 2487.7
Cell parameters: 15.3654; 8.2286; 19.8784; 90; 98.196; 90;  

COD ID: 4003061
CIF file Formula: - C6 H5 N5 O2 -
Comments: Hirsch, Anna; Palmer, Benjamin A.; Ramasubramaniam, Ashwin; Williams, P. Andrew; Harris, Kenneth D. M.; Pokroy, Boaz; Weiner, Steve; Addadi, Lia; Leiserowitz, Leslie; Kronik, Leeor Structure and Morphology of Light-Reflecting Synthetic and Biogenic Polymorphs of Isoxanthopterin: A Comparison Chemistry of Materials 31(12) (2019) 4479
Space group: P 1 21/c 1
Cell volume: 682.48
Cell parameters: 4.4848; 9.8986; 20.4187; 90; 131.157; 90;  

COD ID: 4003062
CIF file Formula: - C10 H6 Cl2 N2 O4 -
Comments: Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O. Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz Chemistry of Materials 31(12) (2019) 4514
Space group: P -1
Cell volume: 295.4
Cell parameters: 5.1316; 5.4889; 10.9666; 81.345; 80.683; 77.455;  

COD ID: 4003063
CIF file Formula: - C10 H6 Cl2 N2 O4 -
Comments: Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O. Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz Chemistry of Materials 31(12) (2019) 4514
Space group: P -1
Cell volume: 292.43
Cell parameters: 4.8906; 5.7517; 10.8475; 81.785; 81.137; 77.49;  

COD ID: 4003064
CIF file Formula: - C10 H6 Cl2 N2 O4 -
Comments: Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O. Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz Chemistry of Materials 31(12) (2019) 4514
Space group: P -1
Cell volume: 285.57
Cell parameters: 4.7821; 5.8258; 10.7018; 81.926; 81.568; 76.993;  

COD ID: 4003065
CIF file Formula: - C10 H6 Cl2 N2 O4 -
Comments: Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O. Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz Chemistry of Materials 31(12) (2019) 4514
Space group: P -1
Cell volume: 293.74
Cell parameters: 4.9887; 5.635; 10.9175; 81.612; 80.726; 77.499;  

COD ID: 4003066
CIF file Formula: - C10 H6 Cl2 N2 O4 -
Comments: Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O. Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz Chemistry of Materials 31(12) (2019) 4514
Space group: C 1 2/m 1
Cell volume: 594.24
Cell parameters: 8.2924; 6.6543; 10.9934; 90; 101.594; 90;  

COD ID: 4003067
CIF file Formula: - C10 H6 Cl2 N2 O4 -
Comments: Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O. Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz Chemistry of Materials 31(12) (2019) 4514
Space group: P -1
Cell volume: 289.33
Cell parameters: 4.8242; 5.8096; 10.7703; 81.848; 81.421; 77.317;  

COD ID: 4003068
CIF file Formula: - C24 H40 Br4 Cd N2 -
Comments: Deswal, Swati; Singh, Sachin Kumar; Rambabu, P.; Kulkarni, Priyangi; Vaitheeswaran, G.; Praveenkumar, B.; Ogale, Satishchandra; Boomishankar, Ramamoorthy Flexible Composite Energy Harvesters from Ferroelectric A2MX4-Type Hybrid Halogenometallates Chemistry of Materials 31(12) (2019) 4545
Space group: P n a 21
Cell volume: 2964.3
Cell parameters: 9.8897; 31.038; 9.657; 90; 90; 90;  

COD ID: 4003069
CIF file Formula: - C22 H36 Br4 Cd N2 -
Comments: Deswal, Swati; Singh, Sachin Kumar; Rambabu, P.; Kulkarni, Priyangi; Vaitheeswaran, G.; Praveenkumar, B.; Ogale, Satishchandra; Boomishankar, Ramamoorthy Flexible Composite Energy Harvesters from Ferroelectric A2MX4-Type Hybrid Halogenometallates Chemistry of Materials 31(12) (2019) 4545
Space group: P -1
Cell volume: 1349.9
Cell parameters: 9.675; 9.911; 16.382; 94.071; 104.294; 115.155;  

COD ID: 4003070
CIF file Formula: - C20 H32 Br4 Cd N2 -
Comments: Deswal, Swati; Singh, Sachin Kumar; Rambabu, P.; Kulkarni, Priyangi; Vaitheeswaran, G.; Praveenkumar, B.; Ogale, Satishchandra; Boomishankar, Ramamoorthy Flexible Composite Energy Harvesters from Ferroelectric A2MX4-Type Hybrid Halogenometallates Chemistry of Materials 31(12) (2019) 4545
Space group: P 1 21 1
Cell volume: 1314
Cell parameters: 9.554; 9.071; 15.206; 90; 94.369; 90;  

COD ID: 4003071
CIF file Formula: - C156 H220 I7 In9 N24 O66 -
Comments: Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation Chemistry of Materials 31(3) (2019) 1084
Space group: P -3 1 c
Cell volume: 11200
Cell parameters: 27.016; 27.016; 17.719; 90; 90; 120;  

COD ID: 4003072
CIF file Formula: - C144 H193 Cl7 In9 N21 O63 -
Comments: Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation Chemistry of Materials 31(3) (2019) 1084
Space group: P -3 1 c
Cell volume: 11140
Cell parameters: 26.835; 26.835; 17.863; 90; 90; 120;  

COD ID: 4003073
CIF file Formula: - C144 H193 Br7 In9 N21 O63 -
Comments: Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation Chemistry of Materials 31(3) (2019) 1084
Space group: P -3 1 c
Cell volume: 11187
Cell parameters: 26.945; 26.945; 17.792; 90; 90; 120;  

COD ID: 4003074
CIF file Formula: - Bi2 Ni -
Comments: Clarke, Samantha M.; Powderly, Kelly M.; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Freedman, Danna E. Controlling Dimensionality in the Ni‒Bi System with Pressure Chemistry of Materials 31(3) (2019) 955
Space group: C 1 2/m 1
Cell volume: 240.778
Cell parameters: 12.1135; 3.83754; 5.2749; 90; 100.909; 90;  

COD ID: 4003075
CIF file Formula: - Bi2 Ni -
Comments: Clarke, Samantha M.; Powderly, Kelly M.; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Freedman, Danna E. Controlling Dimensionality in the Ni‒Bi System with Pressure Chemistry of Materials 31(3) (2019) 955
Space group: C 1 2/m 1
Cell volume: 279.94
Cell parameters: 12.80484; 4.04053; 5.51174; 90; 100.988; 90;  

COD ID: 4003076
CIF file Formula: - C7 H12 I4 N2 Pb -
Comments: Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells Chemistry of Materials 31(3) (2019) 890
Space group: P 1 21/c 1
Cell volume: 1576.8
Cell parameters: 6.3354; 19.8007; 12.5707; 90; 90.757; 90;  

COD ID: 4003077
CIF file Formula: - C32 H45 I8 N4 Pb2 -
Comments: Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells Chemistry of Materials 31(3) (2019) 890
Space group: C 1 c 1
Cell volume: 4845.92
Cell parameters: 12.3353; 12.2206; 32.2371; 90; 94.296; 90;  

COD ID: 4003078
CIF file Formula: - C5 H9 I4 N3 Pb -
Comments: Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells Chemistry of Materials 31(3) (2019) 890
Space group: P 1 21/n 1
Cell volume: 1564.69
Cell parameters: 8.8952; 19.7237; 8.925; 90; 92.2131; 90;  

COD ID: 4003079
CIF file Formula: - C14 H34 I8 N4 Pb2 -
Comments: Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells Chemistry of Materials 31(3) (2019) 890
Space group: P 1 21/n 1
Cell volume: 3338.29
Cell parameters: 12.6656; 20.5236; 12.8846; 90; 94.6417; 90;  

COD ID: 4003080
CIF file Formula: - C5 H11 I4 N3 Pb -
Comments: Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells Chemistry of Materials 31(3) (2019) 890
Space group: P 1 21/c 1
Cell volume: 3080.38
Cell parameters: 12.4948; 19.7152; 12.5841; 90; 96.4396; 90;  

COD ID: 4003081
CIF file Formula: - C10 H24 I10 N6 O2 Pb3 -
Comments: Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells Chemistry of Materials 31(3) (2019) 890
Space group: C 1 2/c 1
Cell volume: 3774.7
Cell parameters: 20.6609; 8.9123; 22.7613; 90; 115.758; 90;  

COD ID: 4003082
CIF file Formula: - C42 H35 Eu N6 O8 S2 -
Comments: Kovalenko, Anton; Rublev, Pavel O.; Tcelykh, Lyubov O.; Goloveshkin, Alexander S.; Lepnev, Leonid S.; Burlov, Anatolii S.; Vashchenko, Andrey A.; Marciniak, Łukasz; Magerramov, Abel M.; Shikhaliyev, Namig G.; Vatsadze, Sergey Z.; Utochnikova, Valentina V. Lanthanide Complexes with 2-(Tosylamino)-benzylidene-N-(aryloyl)hydrazones: Universal Luminescent Materials Chemistry of Materials 31(3) (2019) 759
Space group: P -1
Cell volume: 2036.22
Cell parameters: 10.86215; 11.41095; 17.09812; 84.6203; 75.4586; 84.3682;  

COD ID: 4003083
CIF file Formula: - C41 H36 N8 O6.5 S2 Yb -
Comments: Kovalenko, Anton; Rublev, Pavel O.; Tcelykh, Lyubov O.; Goloveshkin, Alexander S.; Lepnev, Leonid S.; Burlov, Anatolii S.; Vashchenko, Andrey A.; Marciniak, Łukasz; Magerramov, Abel M.; Shikhaliyev, Namig G.; Vatsadze, Sergey Z.; Utochnikova, Valentina V. Lanthanide Complexes with 2-(Tosylamino)-benzylidene-N-(aryloyl)hydrazones: Universal Luminescent Materials Chemistry of Materials 31(3) (2019) 759
Space group: P 1 21/c 1
Cell volume: 4103.9
Cell parameters: 16.876; 13.357; 19.197; 90; 108.49; 90;  

COD ID: 4003140
CIF file Formula: - H2 K Mg O5 P -
Comments: Bai, Zhiyong; Hu, Chun-Li; Liu, Lehui; Zhang, Lizhen; Huang, Yisheng; Yuan, Feifei; Lin, Zhoubin KMg(H2O)PO4: A Deep-Ultraviolet Transparent Nonlinear Optical Material Derived from KTiOPO4 Chemistry of Materials 31(22) (2019) 9540
Space group: P m n 21
Cell volume: 218.908
Cell parameters: 5.5672; 8.2191; 4.7841; 90; 90; 90;  

COD ID: 4003405
CIF file Formula: - C36 H36 F4 Ir N8 O0.5 -
Comments: Chen, Yi-Kuang; Kuo, Hsin-Hung; Luo, Dian; Lai, Yi-Ning; Li, Wei-Cheng; Chang, Chih-Hao; Escudero, Daniel; Jen, Alex K.-Y.; Hsu, Ling-Yang; Chi, Yun Phenyl- and Pyrazolyl-Functionalized Pyrimidine: Versatile Chromophore of Bis-Tridentate Ir(III) Phosphors for Organic Light-Emitting Diodes Chemistry of Materials 31(17) (2018) 6453
Space group: P 1 21/c 1
Cell volume: 7018.1
Cell parameters: 12.9918; 24.4505; 22.1009; 90; 91.4855; 90;  

COD ID: 4003406
CIF file Formula: - C36 H35 F4 Ir N8 -
Comments: Chen, Yi-Kuang; Kuo, Hsin-Hung; Luo, Dian; Lai, Yi-Ning; Li, Wei-Cheng; Chang, Chih-Hao; Escudero, Daniel; Jen, Alex K.-Y.; Hsu, Ling-Yang; Chi, Yun Phenyl- and Pyrazolyl-Functionalized Pyrimidine: Versatile Chromophore of Bis-Tridentate Ir(III) Phosphors for Organic Light-Emitting Diodes Chemistry of Materials 31(17) (2018) 6453
Space group: P 1 21/n 1
Cell volume: 3434.71
Cell parameters: 12.3992; 17.092; 17.1949; 90; 109.516; 90;  

COD ID: 4003436
CIF file Formula: - C39 H28 N3 -
Comments: Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers Chemistry of Materials 31(24) (2019) 10256
Space group: P -1
Cell volume: 1437.36
Cell parameters: 10.7797; 10.8247; 13.9842; 95.93; 111.005; 104.877;  

COD ID: 4003437
CIF file Formula: - C39 H28 N3 -
Comments: Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers Chemistry of Materials 31(24) (2019) 10256
Space group: P -1
Cell volume: 1469
Cell parameters: 10.8315; 10.9695; 14.0301; 96.526; 110.256; 105.326;  

COD ID: 4003438
CIF file Formula: - C39 H28 N3 -
Comments: Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers Chemistry of Materials 31(24) (2019) 10256
Space group: P 1 21 1
Cell volume: 1458.38
Cell parameters: 9.7905; 9.3048; 16.1235; 90; 96.838; 90;  

COD ID: 4003439
CIF file Formula: - C39 H28 N3 -
Comments: Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers Chemistry of Materials 31(24) (2019) 10256
Space group: P 1 21 1
Cell volume: 1455.62
Cell parameters: 9.7865; 9.3003; 16.1043; 90; 96.748; 90;  

COD ID: 4003440
CIF file Formula: - C39 H28 N3 -
Comments: Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers Chemistry of Materials 31(24) (2019) 10256
Space group: P 1 21/n 1
Cell volume: 2938.81
Cell parameters: 9.6751; 19.2046; 15.8341; 90; 92.7; 90;  

COD ID: 4003449
CIF file Formula: - F4 I K5 O12 W3 -
Comments: Wu, Chao; Lin, Lin; Jiang, Xingxing; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Halasyamani, P. Shiv; Zhang, Chi K5(W3O9F4)(IO3): An Efficient Mid-Infrared Nonlinear Optical Compound with High Laser Damage Threshold Chemistry of Materials 31(24) (2019) 10100
Space group: P 1 m 1
Cell volume: 386.44
Cell parameters: 9.7129; 3.7122; 10.9575; 90; 102.007; 90;  


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