Crystallography Open Database
Search results
Result : There are 130 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 29
| COD ID: 1545098 | |
| CIF file | Formula: - C17 H14 S2 - Comments: Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors Chemistry of Materials 29(3) (2017) 1245 Space group: C 1 c 1 Cell volume: 1388.8 Cell parameters: 15.2642; 15.1883; 6.0321; 90; 96.7418; 90; |
| COD ID: 1545099 | |
| CIF file | Formula: - C16 H12 S2 - Comments: Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors Chemistry of Materials 29(3) (2017) 1245 Space group: P 1 21 1 Cell volume: 645.9 Cell parameters: 9.1532; 6.0178; 11.7576; 90; 94.1913; 90; |
| COD ID: 4002699 | |
| CIF file | Formula: - Na2 Sn5 Zn - Comments: Kanno, Masahiro; Yamada, Takahiro; Ikeda, Takuji; Nagai, Hideaki; Yamane, Hisanori Thermoelectric Properties of Na2ZnSn5 Dimorphs with Na Atoms Disordered in Tunnels Chemistry of Materials 29(2) (2017) 859 Space group: I -4 2 d Cell volume: 900.45 Cell parameters: 6.341; 6.341; 22.3947; 90; 90; 90; |
| COD ID: 4002702 | |
| CIF file | Formula: - Cl Ge4 Na O16 Sr2 V3 - Comments: Sanjeewa, Liurukara D.; McGuire, Michael A.; McMillen, Colin D.; Garlea, Vasile O.; Kolis, Joseph W. Polar Materials with Isolated V4+ S = 1/2 Triangles: NaSr2V3O3(Ge4O13)Cl and KSr2V3O3(Ge4O13)Cl Chemistry of Materials 29(3) (2017) 1404 Space group: P 63 m c Cell volume: 682.93 Cell parameters: 10.4084; 10.4084; 7.2791; 90; 90; 120; |
| COD ID: 4002703 | |
| CIF file | Formula: - Cl Ge4 K O16 Sr2 V3 - Comments: Sanjeewa, Liurukara D.; McGuire, Michael A.; McMillen, Colin D.; Garlea, Vasile O.; Kolis, Joseph W. Polar Materials with Isolated V4+ S = 1/2 Triangles: NaSr2V3O3(Ge4O13)Cl and KSr2V3O3(Ge4O13)Cl Chemistry of Materials 29(3) (2017) 1404 Space group: P 63 m c Cell volume: 687.31 Cell parameters: 10.4679; 10.4679; 7.2427; 90; 90; 120; |
| COD ID: 4002704 | |
| CIF file | Formula: - Bi3 F3 I4 O13 - Comments: Zhang, Min; Su, Xin; Mutailipu, Miriding; Yang, Zhihua; Pan, Shilie Bi3OF3(IO3)4: Metal Oxyiodate Fluoride Featuring a Carbon-Nanotube-like Topological Structure with Large Second Harmonic Generation Response Chemistry of Materials 29(3) (2017) 945 Space group: P 63 m c Cell volume: 716.81 Cell parameters: 10.8797; 10.8797; 6.9926; 90; 90; 120; |
| COD ID: 4002705 | |
| CIF file | Formula: - Ca1.88 Li2 Mg2 N6 Si2 Sr0.12 - Comments: Strobel, Philipp; Weiler, Volker; Hecht, Cora; Schmidt, Peter J.; Schnick, Wolfgang Luminescence of the Narrow-Band Red Emitting Nitridomagnesosilicate Li2(Ca1‒xSrx)2[Mg2Si2N6]:Eu2+ (x = 0‒0.06) Chemistry of Materials 29(3) (2017) 1377 Space group: C 1 2/m 1 Cell volume: 327.535 Cell parameters: 5.5744; 9.8439; 6.017; 90; 97.252; 90; |
| COD ID: 4002706 | |
| CIF file | Formula: - Cs Ga Se6 Sn2 - Comments: Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit Chemistry of Materials 29(2) (2017) 499 Space group: R 3 :H Cell volume: 913.85 Cell parameters: 10.518; 10.518; 9.5385; 90; 90; 120; |
| COD ID: 4002707 | |
| CIF file | Formula: - Cs In Se6 Sn2 - Comments: Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit Chemistry of Materials 29(2) (2017) 499 Space group: R 3 :H Cell volume: 952 Cell parameters: 10.652; 10.652; 9.6882; 90; 90; 120; |
| COD ID: 4002708 | |
| CIF file | Formula: - C48 H59 Ag B9 N2 O0.5 P2 - Comments: Shafikov, Marsel Z.; Suleymanova, Alfiya F.; Czerwieniec, Rafał; Yersin, Hartmut Design Strategy for Ag(I)-Based Thermally Activated Delayed Fluorescence Reaching an Efficiency Breakthrough Chemistry of Materials 29(4) (2017) 1708 Space group: P 1 21/c 1 Cell volume: 10014.2 Cell parameters: 18.24578; 23.5847; 23.608; 90; 99.6853; 90; |
| COD ID: 4002709 | |
| CIF file | Formula: - Mg4 O21 P6 Rb4 - Comments: Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv M4Mg4(P2O7)3 (M = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications Chemistry of Materials 29(4) (2017) 1845 Space group: A m m 2 Cell volume: 1086.57 Cell parameters: 5.2878; 21.1901; 9.6973; 90; 90; 90; |
| COD ID: 4002713 | |
| CIF file | Formula: - C26 H36 Cu2 N12 O9 - Comments: Li, Rong; Wang, Shuai-Hua; Chen, Xu-Xing; Lu, Jian; Fu, Zhi-Hua; Li, Yan; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong Highly Anisotropic and Water Molecule-Dependent Proton Conductivity in a 2D Homochiral Copper(II) Metal‒Organic Framework Chemistry of Materials 29(5) (2017) 2321 Space group: P 21 21 2 Cell volume: 1526.7 Cell parameters: 18.71; 7.807; 10.452; 90; 90; 90; |
| COD ID: 4002714 | |
| CIF file | Formula: - C26 H30 Cu2 N12 O6 - Comments: Li, Rong; Wang, Shuai-Hua; Chen, Xu-Xing; Lu, Jian; Fu, Zhi-Hua; Li, Yan; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong Highly Anisotropic and Water Molecule-Dependent Proton Conductivity in a 2D Homochiral Copper(II) Metal‒Organic Framework Chemistry of Materials 29(5) (2017) 2321 Space group: P 21 21 2 Cell volume: 1462.83 Cell parameters: 18.7672; 7.6504; 10.1885; 90; 90; 90; |
| COD ID: 4002715 | |
| CIF file | Formula: - C4 H10 N2 O6 Zn - Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264 Space group: R -3 c :H Cell volume: 1270.2 Cell parameters: 8.0919; 8.0919; 22.4; 90; 90; 120; |
| COD ID: 4002716 | |
| CIF file | Formula: - C4 H10 N2 O6 Zn - Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264 Space group: R 3 c :H Cell volume: 1263.75 Cell parameters: 8.0764; 8.0764; 22.3715; 90; 90; 120; |
| COD ID: 4002717 | |
| CIF file | Formula: - C4 H10 N2 O6 Zn - Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264 Space group: R 3 c :H Cell volume: 1253.59 Cell parameters: 8.0633; 8.0633; 22.2638; 90; 90; 120; |
| COD ID: 4002718 | |
| CIF file | Formula: - C4 H10 Mg N2 O6 - Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264 Space group: R -3 c :H Cell volume: 1270.54 Cell parameters: 8.0356; 8.0356; 22.7207; 90; 90; 120; |
| COD ID: 4002719 | |
| CIF file | Formula: - C4 H10 Mg N2 O6 - Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264 Space group: R 3 c :H Cell volume: 1269.59 Cell parameters: 8.0379; 8.0379; 22.6907; 90; 90; 120; |
| COD ID: 4002720 | |
| CIF file | Formula: - C4 H10 Mg N2 O6 - Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264 Space group: R 3 c :H Cell volume: 1262.44 Cell parameters: 8.0249; 8.0249; 22.6361; 90; 90; 120; |
| COD ID: 4002721 | |
| CIF file | Formula: - C8 H20 Mn2 N4 O12 - Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264 Space group: P 1 Cell volume: 444.8 Cell parameters: 8.198; 8.2; 8.933; 63.28; 63.31; 60.06; |
| COD ID: 4002722 | |
| CIF file | Formula: - C4 H10 Mn N2 O6 - Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264 Space group: R -3 c :H Cell volume: 1344.59 Cell parameters: 8.216; 8.216; 23.0005; 90; 90; 120; |
| COD ID: 4002723 | |
| CIF file | Formula: - C4 H10 Mn N2 O6 - Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264 Space group: R 3 c :H Cell volume: 1340.1 Cell parameters: 8.2117; 8.2117; 22.9478; 90; 90; 120; |
| COD ID: 4002724 | |
| CIF file | Formula: - C4 H10 Mn N2 O6 - Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264 Space group: R 3 c :H Cell volume: 1335.07 Cell parameters: 8.2091; 8.2091; 22.8761; 90; 90; 120; |
| COD ID: 4002725 | |
| CIF file | Formula: - C4 H10 Fe N2 O6 - Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264 Space group: R -3 c :H Cell volume: 1298.07 Cell parameters: 8.1338; 8.1338; 22.6559; 90; 90; 120; |
| COD ID: 4002726 | |
| CIF file | Formula: - C4 H10 Fe N2 O6 - Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264 Space group: R 3 c :H Cell volume: 1289.55 Cell parameters: 8.1171; 8.1171; 22.5999; 90; 90; 120; |
| COD ID: 4002727 | |
| CIF file | Formula: - C4 H10 Fe N2 O6 - Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264 Space group: R 3 c :H Cell volume: 1284.35 Cell parameters: 8.112; 8.112; 22.5371; 90; 90; 120; |
| COD ID: 4002728 | |
| CIF file | Formula: - C2 F2 Fe Na2 O4 - Comments: Yao, Wenjiao; Sougrati, Moulay-Tahar; Hoang, Khang; Hui, Jianing; Lightfoot, Philip; Armstrong, A. Robert Na2Fe(C2O4)F2: A New Iron-Based Polyoxyanion Cathode for Li/Na Ion Batteries Chemistry of Materials 29(5) (2017) 2167 Space group: C 1 2/c 1 Cell volume: 1075.01 Cell parameters: 15.8349; 5.962; 12.2784; 90; 111.968; 90; |
| COD ID: 4002729 | |
| CIF file | Formula: - In8 Na4 S2 Se12 - Comments: Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds Chemistry of Materials 29(4) (2017) 1796 Space group: P c a 21 Cell volume: 2939.54 Cell parameters: 14.8082; 15.8608; 12.5156; 90; 90; 90; |
| COD ID: 4002730 | |
| CIF file | Formula: - Ga2 In4 Na2 Se10 - Comments: Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds Chemistry of Materials 29(4) (2017) 1796 Space group: R 3 2 :H Cell volume: 2929 Cell parameters: 14.1; 14.1; 17.01; 90; 90; 120; |
| COD ID: 4002731 | |
| CIF file | Formula: - In3 Na Se5 - Comments: Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds Chemistry of Materials 29(4) (2017) 1796 Space group: P 32 Cell volume: 9119.4 Cell parameters: 24.5815; 24.5815; 17.4269; 90; 90; 120; |
| COD ID: 4002734 | |
| CIF file | Formula: - C18 H16 S2 - Comments: Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors Chemistry of Materials 29(3) (2017) 1245 Space group: P 1 21/a 1 Cell volume: 1543.9 Cell parameters: 8.191; 5.8764; 32.111; 90; 92.698; 90; |
| COD ID: 4002735 | |
| CIF file | Formula: - C22 H24 S2 - Comments: Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors Chemistry of Materials 29(3) (2017) 1245 Space group: P -1 Cell volume: 470.08 Cell parameters: 4.6426; 7.6517; 13.444; 86.187; 82.177; 84.247; |
| COD ID: 4002736 | |
| CIF file | Formula: - C24 H28 S2 - Comments: Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors Chemistry of Materials 29(3) (2017) 1245 Space group: P -1 Cell volume: 522.511 Cell parameters: 4.7594; 8.6807; 13.1142; 89.7304; 80.9378; 77.6887; |
| COD ID: 4002737 | |
| CIF file | Formula: - C18 H16 S2 - Comments: Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors Chemistry of Materials 29(3) (2017) 1245 Space group: P 1 21/a 1 Cell volume: 761.53 Cell parameters: 7.8271; 8.3402; 12.3259; 90; 108.838; 90; |
| COD ID: 4002738 | |
| CIF file | Formula: - C46 H52 S4 - Comments: Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors Chemistry of Materials 29(3) (2017) 1245 Space group: P -1 Cell volume: 2043.33 Cell parameters: 5.97616; 7.9219; 43.227; 88.0866; 87.4616; 89.8239; |
| COD ID: 4002739 | |
| CIF file | Formula: - C20 H20 S2 - Comments: Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors Chemistry of Materials 29(3) (2017) 1245 Space group: P -1 Cell volume: 421.4 Cell parameters: 4.6827; 7.453; 12.48; 76.954; 85.196; 84.362; |
| COD ID: 4002740 | |
| CIF file | Formula: - Mn1.67 Mo3 Na2.67 O12 - Comments: Gao, Jianhua; Zhao, Pan; Feng, Kai Na2.67Mn1.67(MoO4)3: A 3.45 V Alluaudite-Type Cathode Candidate for Sodium-Ion Batteries Chemistry of Materials 29(3) (2017) 940 Space group: C 1 2/c 1 Cell volume: 1157.4 Cell parameters: 12.7445; 13.6694; 7.1892; 90; 112.459; 90; |
| COD ID: 4002741 | |
| CIF file | Formula: - Al2 Ca3.6 Sb6 Yb1.4 - Comments: Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System Chemistry of Materials 29(3) (2017) 1384 Space group: P b a m Cell volume: 737.6 Cell parameters: 11.962; 13.929; 4.427; 90; 90; 90; |
| COD ID: 4002742 | |
| CIF file | Formula: - Al2 Ca1.55 Sb6 Yb3.45 - Comments: Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System Chemistry of Materials 29(3) (2017) 1384 Space group: P b a m Cell volume: 746.51 Cell parameters: 12.0006; 13.9925; 4.4457; 90; 90; 90; |
| COD ID: 4002743 | |
| CIF file | Formula: - Al2 Ca2.79 Sb6 Yb2.22 - Comments: Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System Chemistry of Materials 29(3) (2017) 1384 Space group: P b a m Cell volume: 751.37 Cell parameters: 12.0321; 14.023; 4.4532; 90; 90; 90; |
| COD ID: 4002744 | |
| CIF file | Formula: - Al2 Ca1.58 Sb6 Yb3.42 - Comments: Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System Chemistry of Materials 29(3) (2017) 1384 Space group: P b a m Cell volume: 739.82 Cell parameters: 7.3254; 22.9041; 4.4094; 90; 90; 90; |
| COD ID: 4002747 | |
| CIF file | Formula: - C57 H36 N12 Ni3 O18 - Comments: Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks Chemistry of Materials 29(9) (2017) 3899 Space group: C 1 m 1 Cell volume: 6052 Cell parameters: 16.384; 28.376; 13.079; 90; 95.57; 90; |
| COD ID: 4002748 | |
| CIF file | Formula: - C19 H12 N4 Ni O6 - Comments: Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks Chemistry of Materials 29(9) (2017) 3899 Space group: P -3 Cell volume: 3165.3 Cell parameters: 16.657; 16.657; 13.173; 90; 90; 120; |
| COD ID: 4002751 | |
| CIF file | Formula: - C32 H22 - Comments: Ju, Huajun; Wang, Kang; Zhang, Jing; Geng, Hua; Liu, Zitong; Zhang, Guanxin; Zhao, Yongsheng; Zhang, Deqing 1,6- and 2,7-trans-β-Styryl Substituted Pyrenes Exhibiting Both Emissive and Semiconducting Properties in the Solid State Chemistry of Materials 29(8) (2017) 3580 Space group: P -1 Cell volume: 1032.8 Cell parameters: 9.602; 10.452; 11.076; 93.925; 109.054; 97.992; |
| COD ID: 4002752 | |
| CIF file | Formula: - C8 H16 Cl3 N O2 - Comments: Ji, Chengmin; Wang, Sasa; Liu, Sijie; Sun, Zhihua; Zhang, Jing; Li, Lina; Luo, Junhua Exceptional Three-Level Switching Behaviors of Quadratic Nonlinear Optical Properties in a Tristable Molecule-Based Dielectric Chemistry of Materials 29(7) (2017) 3251 Space group: P 21 21 21 Cell volume: 2551.72 Cell parameters: 8.6082; 16.554; 17.9068; 90; 90; 90; |
| COD ID: 4002753 | |
| CIF file | Formula: - C8 H16 Cl3 N O2 - Comments: Ji, Chengmin; Wang, Sasa; Liu, Sijie; Sun, Zhihua; Zhang, Jing; Li, Lina; Luo, Junhua Exceptional Three-Level Switching Behaviors of Quadratic Nonlinear Optical Properties in a Tristable Molecule-Based Dielectric Chemistry of Materials 29(7) (2017) 3251 Space group: P n m a Cell volume: 2724.5 Cell parameters: 17.9259; 8.5845; 17.7048; 90; 90; 90; |
| COD ID: 4002754 | |
| CIF file | Formula: - C38 H56 N2 O6 S2 - Comments: Fu, Chaoying; Beldon, Patrick J.; Perepichka, Dmitrii F. H-Bonding Control of Supramolecular Ordering of Diketopyrrolopyrroles Chemistry of Materials 29(7) (2017) 2979 Space group: P -1 Cell volume: 926.13 Cell parameters: 5.3533; 8.4519; 20.8245; 99.5419; 90.1363; 94.5565; |
| COD ID: 4002755 | |
| CIF file | Formula: - C32 H44 N2 O8 - Comments: Fu, Chaoying; Beldon, Patrick J.; Perepichka, Dmitrii F. H-Bonding Control of Supramolecular Ordering of Diketopyrrolopyrroles Chemistry of Materials 29(7) (2017) 2979 Space group: P -1 Cell volume: 779.08 Cell parameters: 5.2636; 8.2569; 18.3521; 78.975; 85.35; 85.965; |
| COD ID: 4002756 | |
| CIF file | Formula: - B2 Mg0.66 Mn1.33 O5 - Comments: Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E. MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries Chemistry of Materials 29(7) (2017) 3118 Space group: P -1 Cell volume: 185.172 Cell parameters: 3.23914; 6.2347; 9.4884; 104.736; 90.6239; 91.943; |
| COD ID: 4002757 | |
| CIF file | Formula: - B2 Mg1.33 Mn0.66 O5 - Comments: Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E. MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries Chemistry of Materials 29(7) (2017) 3118 Space group: P -1 Cell volume: 179.131 Cell parameters: 3.18809; 6.2021; 9.36747; 104.556; 90.5538; 92.0289; |
| COD ID: 4002758 | |
| CIF file | Formula: - B2 Mg Mn O5 - Comments: Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E. MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries Chemistry of Materials 29(7) (2017) 3118 Space group: P -1 Cell volume: 181.376 Cell parameters: 3.20758; 6.2134; 9.4127; 104.623; 90.511; 92.012; |
| COD ID: 4002759 | |
| CIF file | Formula: - Ba Fe4 O7 - Comments: Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures Chemistry of Materials 29(7) (2017) 2689 Space group: P -3 1 c Cell volume: 317.17 Cell parameters: 5.1503; 5.1503; 13.8069; 90; 90; 120; |
| COD ID: 4002817 | |
| CIF file | Formula: - Bi Cu - Comments: Clarke, Samantha M.; Amsler, Maximilian; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Wolverton, Chris; Freedman, Danna E. Creating Binary Cu‒Bi Compounds via High-Pressure Synthesis: A Combined Experimental and Theoretical Study Chemistry of Materials 29(12) (2017) 5276 Space group: P m m a Cell volume: 172.7 Cell parameters: 5.188995; 4.230802; 7.86657; 90; 90; 90; |
| COD ID: 4002818 | |
| CIF file | Formula: - C120 H120 N80 O69 - Comments: Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations Chemistry of Materials 29(13) (2017) 5468 Space group: P 21/m 1 1 Cell volume: 10806 Cell parameters: 39.1; 16.748; 16.501; 90; 90.01; 90; |
| COD ID: 4002819 | |
| CIF file | Formula: - C90 H98 Ba2 Cl4 N60 O40.5 - Comments: Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations Chemistry of Materials 29(13) (2017) 5468 Space group: P -1 Cell volume: 8861 Cell parameters: 20.918; 21.165; 23.176; 71.16; 67.42; 75.08; |
| COD ID: 4002820 | |
| CIF file | Formula: - C90 H110.5 Cl4.05 Gd2 N60 O45.25 - Comments: Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations Chemistry of Materials 29(13) (2017) 5468 Space group: P -1 Cell volume: 8638 Cell parameters: 21.596; 22.162; 22.803; 63.31; 85.66; 63.71; |
| COD ID: 4002821 | |
| CIF file | Formula: - C16 H40 Bi2 I10 N4 O0 - Comments: Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material Chemistry of Materials 29(13) (2017) 5463 Space group: P -1 Cell volume: 2005.83 Cell parameters: 9.4725; 9.9447; 21.4361; 91.872; 92.148; 95.903; |
| COD ID: 4002822 | |
| CIF file | Formula: - C8 H20 Bi Br5 N2 O0 - Comments: Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material Chemistry of Materials 29(13) (2017) 5463 Space group: C 1 2/c 1 Cell volume: 3480 Cell parameters: 19.724; 11.129; 16.62; 90; 107.465; 90; |
| COD ID: 4002823 | |
| CIF file | Formula: - C8 H20 Bi Cl5 N2 O0 - Comments: Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material Chemistry of Materials 29(13) (2017) 5463 Space group: C 1 2/c 1 Cell volume: 3105.75 Cell parameters: 19.0664; 10.6827; 16.0947; 90; 108.666; 90; |
| COD ID: 4002824 | |
| CIF file | Formula: - C12 H30 Bi2 Cl2 I7 N3 O0 - Comments: Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material Chemistry of Materials 29(13) (2017) 5463 Space group: P 1 21/n 1 Cell volume: 3137.5 Cell parameters: 18.086; 9.287; 20.238; 90; 112.631; 90; |
| COD ID: 4002825 | |
| CIF file | Formula: - Sb2 Zn2.91 - Comments: Lo, Chun-Wan Timothy; Ortiz, Brenden R.; Toberer, Eric S.; He, Allan; Svitlyk, Volodymyr; Chernyshov, Dmitry; Kolodiazhnyi, Taras; Lidin, Sven; Mozharivskyj, Yurij Synthesis, Structure, and Thermoelectric Properties of α-Zn3Sb2 and Comparison to β-Zn13Sb10 Chemistry of Materials 29(12) (2017) 5249 Space group: R -3 :H Cell volume: 14820 Cell parameters: 15.122; 15.122; 74.834; 90; 90; 120; |
| COD ID: 4002826 | |
| CIF file | Formula: - Ba6 Ga2 S16 Zn7 - Comments: Li, Yan-Yan; Liu, Peng-Fei; Wu, Li-Ming Ba6Zn7Ga2S16: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties Chemistry of Materials 29(12) (2017) 5259 Space group: R 3 :H Cell volume: 2233.5 Cell parameters: 9.7723; 9.7723; 27.006; 90; 90; 120; |
| COD ID: 4002829 | |
| CIF file | Formula: - Al3 Na3 O12 Si3 - Comments: Zhao, Ming; Xia, Zhiguo; Molokeev, Maxim S.; Ning, Lixin; Liu, Quanlin Temperature and Eu2±Doping Induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission Chemistry of Materials 29(15) (2017) 6552 Space group: P 32 Cell volume: 282.275 Cell parameters: 5.108967; 5.108967; 12.48752; 90; 90; 120; |
| COD ID: 4002830 | |
| CIF file | Formula: - Ba0.89 Fe4 K0.21 O7 - Comments: Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures Chemistry of Materials 29(7) (2017) 2689 Space group: P -3 1 c Cell volume: 317.68 Cell parameters: 5.1532; 5.1532; 13.8134; 90; 90; 120; |
| COD ID: 4002833 | |
| CIF file | Formula: - C90 H104 Ce2 Cl4 N60 O57.5 - Comments: Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations Chemistry of Materials 29(13) (2017) 5468 Space group: P -1 Cell volume: 8699 Cell parameters: 20.852; 21.303; 22.769; 71.45; 66.73; 74.75; |
| COD ID: 4002834 | |
| CIF file | Formula: - Al2 Na2.28 O8 Si2 - Comments: Ming Zhao; Zhiguo Xia; Maxim S. Molokeev; Lixin Ning; Quanlin Liu Temperature and Eu2+ Doping induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission Chemistry of Materials 29(15) (2017) 6552-6559 Space group: F -4 3 m Cell volume: 394.16 Cell parameters: 7.332028; 7.332028; 7.332028; 90; 90; 90; |
| COD ID: 4002835 | |
| CIF file | Formula: - Al4 Na3.49 O16 Si4 - Comments: Ming Zhao; Zhiguo Xia; Maxim S. Molokeev; Lixin Ning; Quanlin Liu Temperature and Eu2+ Doping induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission Chemistry of Materials 29(15) (2017) 6552-6559 Space group: P 63 Cell volume: 719.66 Cell parameters: 9.9762; 9.9762; 8.34957; 90; 90; 120; |
| COD ID: 4002837 | |
| CIF file | Formula: - Ag6 Ge10 P12 - Comments: Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound Chemistry of Materials 29(16) (2017) 6956 Space group: I -4 3 m Cell volume: 1091.4 Cell parameters: 10.2959; 10.2959; 10.2959; 90; 90; 90; |
| COD ID: 4002838 | |
| CIF file | Formula: - Ag6 Ge10 P12 - Comments: Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound Chemistry of Materials 29(16) (2017) 6956 Space group: I -4 3 m Cell volume: 1099.1 Cell parameters: 10.32; 10.32; 10.32; 90; 90; 90; |
| COD ID: 4002839 | |
| CIF file | Formula: - Ag6 Ge10 P12 - Comments: Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound Chemistry of Materials 29(16) (2017) 6956 Space group: I -4 3 m Cell volume: 1096.26 Cell parameters: 10.3111; 10.3111; 10.3111; 90; 90; 90; |
| COD ID: 4002840 | |
| CIF file | Formula: - Ag6 Ge10 P12 - Comments: Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound Chemistry of Materials 29(16) (2017) 6956 Space group: I -4 3 m Cell volume: 1092.9 Cell parameters: 10.3004; 10.3004; 10.3004; 90; 90; 90; |
| COD ID: 4002841 | |
| CIF file | Formula: - C4 H8 Cl2 Fe2 Li2 O12 - Comments: Yao, Wenjiao; Clark, Lucy; Xia, Mingjun; Li, Teng; Lee, Stephen L.; Lightfoot, Philip Diverse Family of Layered Frustrated Magnets with Tailorable Interlayer Interactions Chemistry of Materials 29(16) (2017) 6616 Space group: P c a 21 Cell volume: 1328 Cell parameters: 11.449; 11.435; 10.144; 90; 90; 90; |
| COD ID: 4002842 | |
| CIF file | Formula: - C16 H20 N S2 - Comments: Zhang, Siyuan; Zhang, Junxiang; Abdelsamie, Maged; Shi, Qinqin; Zhang, Yadong; Parker, Timothy C.; Jucov, Evgheni V.; Timofeeva, Tatiana V.; Amassian, Aram; Bazan, Guillermo C.; Blakey, Simon B.; Barlow, Stephen; Marder, Seth R. Intermediate-Sized Conjugated Donor Molecules for Organic Solar Cells: Comparison of Benzodithiophene and Benzobisthiazole-Based Cores Chemistry of Materials 29(18) (2017) 7880 Space group: P -1 Cell volume: 766 Cell parameters: 6.213; 9.183; 14.383; 94.287; 100.125; 106.893; |
| COD ID: 4002843 | |
| CIF file | Formula: - C144 H157.5 N6 S9 - Comments: Abe, Yuichiro; Savikhin, Victoria; Yin, Jun; Grimsdale, Andrew C.; Soci, Cesare; Toney, Michael F.; Lam, Yeng Ming Unique Reversible Crystal-to-Crystal Phase Transition—Structural and Functional Properties of Fused Ladder Thienoarenes Chemistry of Materials 29(18) (2017) 7686 Space group: C 1 2/c 1 Cell volume: 24767.6 Cell parameters: 23.7318; 27.7793; 38.156; 90; 100.061; 90; |
| COD ID: 4002844 | |
| CIF file | Formula: - Ga5 Hg4 K Se12 - Comments: Zhou, Molin; Yang, Yi; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian Hg-Based Infrared Nonlinear Optical Material KHg4Ga5Se12 Exhibits Good Phase-Matchability and Exceptional Second Harmonic Generation Response Chemistry of Materials 29(18) (2017) 7993 Space group: R 3 :H Cell volume: 1723.7 Cell parameters: 14.3203; 14.3203; 9.7057; 90; 90; 120; |
| COD ID: 4002845 | |
| CIF file | Formula: - C5 H7 Cl Co3 O11 - Comments: Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni) Chemistry of Materials 29(18) (2017) 7716 Space group: P 31 Cell volume: 953.65 Cell parameters: 12.0903; 12.0903; 7.5333; 90; 90; 120; |
| COD ID: 4002846 | |
| CIF file | Formula: - C5 H7 Cl Ni3 O11 - Comments: Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni) Chemistry of Materials 29(18) (2017) 7716 Space group: P 31 Cell volume: 910.5 Cell parameters: 11.9286; 11.9286; 7.3887; 90; 90; 120; |
| COD ID: 4002847 | |
| CIF file | Formula: - C5 H7 Cl Fe3 O11 - Comments: Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni) Chemistry of Materials 29(18) (2017) 7716 Space group: P 31 Cell volume: 978.13 Cell parameters: 12.2116; 12.2116; 7.5739; 90; 90; 120; |
| COD ID: 4002848 | |
| CIF file | Formula: - C144 H106 N2 O4 - Comments: Zhang, Bolong; Soleimaninejad, Hamid; Jones, David J.; White, Jonathan M.; Ghiggino, Kenneth P.; Smith, Trevor A.; Wong, Wallace W. H. Highly Fluorescent Molecularly Insulated Perylene Diimides: Effect of Concentration on Photophysical Properties Chemistry of Materials 29(19) (2017) 8395 Space group: P -1 Cell volume: 2820.9 Cell parameters: 9.5089; 16.5114; 18.4177; 96.813; 99.765; 93.246; |
| COD ID: 4002849 | |
| CIF file | Formula: - C136 H100 N4 O8 - Comments: Zhang, Bolong; Soleimaninejad, Hamid; Jones, David J.; White, Jonathan M.; Ghiggino, Kenneth P.; Smith, Trevor A.; Wong, Wallace W. H. Highly Fluorescent Molecularly Insulated Perylene Diimides: Effect of Concentration on Photophysical Properties Chemistry of Materials 29(19) (2017) 8395 Space group: P -1 Cell volume: 5154 Cell parameters: 16.945; 17.24; 20.307; 81.27; 73.96; 64.79; |
| COD ID: 4002850 | |
| CIF file | Formula: - C189 H176 N8 O6 S8 - Comments: Shi, Xueliang; Zuo, Lijian; Jo, Sae Byeok; Gao, Ke; Lin, Francis; Liu, Feng; Jen, Alex K.-Y. Design of a Highly Crystalline Low-Band Gap Fused-Ring Electron Acceptor for High-Efficiency Solar Cells with Low Energy Loss Chemistry of Materials 29(19) (2017) 8369 Space group: P -1 Cell volume: 3822 Cell parameters: 13.969; 17.144; 17.97; 104.668; 109.998; 96.169; |
| COD ID: 4002852 | |
| CIF file | Formula: - Bi4 Cd Se8 Sn - Comments: Zhao, Jing; Islam, Saiful M.; Hao, Shiqiang; Tan, Gangjian; Su, Xianli; Chen, Haijie; Lin, Wenwen; Li, Rukang; Wolverton, Chris; Kanatzidis, Mercouri G. Semiconducting Pavonites CdMBi4Se8 (M = Sn and Pb) and Their Thermoelectric Properties Chemistry of Materials 29(19) (2017) 8494 Space group: C 1 2/m 1 Cell volume: 775.57 Cell parameters: 13.679; 4.153; 15.127; 90; 115.51; 90; |
| COD ID: 4002853 | |
| CIF file | Formula: - Bi4.04 Cd0.99 Pb0.96 Se8 - Comments: Zhao, Jing; Islam, Saiful M.; Hao, Shiqiang; Tan, Gangjian; Su, Xianli; Chen, Haijie; Lin, Wenwen; Li, Rukang; Wolverton, Chris; Kanatzidis, Mercouri G. Semiconducting Pavonites CdMBi4Se8 (M = Sn and Pb) and Their Thermoelectric Properties Chemistry of Materials 29(19) (2017) 8494 Space group: C 1 2/m 1 Cell volume: 784.9 Cell parameters: 13.713; 4.1665; 15.228; 90; 115.56; 90; |
| COD ID: 4002854 | |
| CIF file | Formula: - C36.71 H92.71 Br18 N0.71 O2 Pb5 S9.29 - Comments: Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I. Broadband Emission with a Massive Stokes Shift from Sulfonium Pb–Br Hybrids Chemistry of Materials 29(17) (2017) 7083 Space group: P -1 Cell volume: 2074.47 Cell parameters: 10.5009; 11.9576; 17.2362; 80.684; 76.252; 88.259; |
| COD ID: 4002855 | |
| CIF file | Formula: - C12 H36 Br10 Pb3 S4 - Comments: Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I. Broadband Emission with a Massive Stokes Shift from Sulfonium Pb‒Br Hybrids Chemistry of Materials 29(17) (2017) 7083 Space group: P 1 21/n 1 Cell volume: 1941.84 Cell parameters: 11.4104; 9.2728; 18.5164; 90; 97.622; 90; |
| COD ID: 4002856 | |
| CIF file | Formula: - C24 H60 Br12 Pb3 S6 - Comments: Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I. Broadband Emission with a Massive Stokes Shift from Sulfonium Pb‒Br Hybrids Chemistry of Materials 29(17) (2017) 7083 Space group: P c a 21 Cell volume: 5224.7 Cell parameters: 22.1968; 11.207; 21.0031; 90; 90; 90; |
| COD ID: 4002857 | |
| CIF file | Formula: - Br6 Cs4 Pb - Comments: De Bastiani, Michele; Dursun, Ibrahim; Zhang, Yuhai; Alshankiti, Buthainah A.; Miao, Xiao-He; Yin, Jun; Yengel, Emre; Alarousu, Erkki; Turedi, Bekir; Almutlaq, Jawaher M.; Saidaminov, Makhsud I.; Mitra, Somak; Gereige, Issam; AlSaggaf, Ahmed; Zhu, Yihan; Han, Yu; Roqan, Iman S.; Bredas, Jean-Luc; Mohammed, Omar F.; Bakr, Osman M. Inside Perovskites: Quantum Luminescence from Bulk Cs4PbBr6 Single Crystals Chemistry of Materials 29(17) (2017) 7108 Space group: R -3 c :H Cell volume: 2820.97 Cell parameters: 13.7222; 13.7222; 17.299; 90; 90; 120; |
| COD ID: 4002858 | |
| CIF file | Formula: - C43 H50 F6 O2 S2 - Comments: Kitagawa, Daichi; Kawasaki, Kaito; Tanaka, Rika; Kobatake, Seiya Mechanical Behavior of Molecular Crystals Induced by Combination of Photochromic Reaction and Reversible Single-Crystal-to-Single-Crystal Phase Transition Chemistry of Materials 29(17) (2017) 7524 Space group: P -1 Cell volume: 1996 Cell parameters: 6.193; 17.569; 19.605; 107.797; 90.469; 100.043; |
| COD ID: 4002859 | |
| CIF file | Formula: - C43 H50 F6 O2 S2 - Comments: Kitagawa, Daichi; Kawasaki, Kaito; Tanaka, Rika; Kobatake, Seiya Mechanical Behavior of Molecular Crystals Induced by Combination of Photochromic Reaction and Reversible Single-Crystal-to-Single-Crystal Phase Transition Chemistry of Materials 29(17) (2017) 7524 Space group: P -1 Cell volume: 2029 Cell parameters: 6.389; 17.125; 20.105; 108.813; 90.502; 102.091; |
| COD ID: 4002860 | |
| CIF file | Formula: - C15 H15 Cu I N6 O P - Comments: Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence Chemistry of Materials 29(19) (2017) 8093 Space group: P -1 Cell volume: 899.05 Cell parameters: 9.0437; 10.8072; 10.8381; 116.35; 102.549; 96.607; |
| COD ID: 4002861 | |
| CIF file | Formula: - C30 H30 Cu6 I7 Li N12 O8 P2 - Comments: Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence Chemistry of Materials 29(19) (2017) 8093 Space group: R -3 c :H Cell volume: 8428 Cell parameters: 14.4114; 14.4114; 46.858; 90; 90; 120; |
| COD ID: 4002862 | |
| CIF file | Formula: - C30 H30 Cu6 I7 N12 Na O5 P2 - Comments: Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence Chemistry of Materials 29(19) (2017) 8093 Space group: R -3 c :H Cell volume: 8565.2 Cell parameters: 14.364; 14.364; 47.9353; 90; 90; 120; |
| COD ID: 4002863 | |
| CIF file | Formula: - C30 H30 Cu6 I7 N12 O2 P2 - Comments: Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence Chemistry of Materials 29(19) (2017) 8093 Space group: R -3 c :H Cell volume: 8631 Cell parameters: 14.343; 14.343; 48.4451; 90; 90; 120; |
| COD ID: 4002864 | |
| CIF file | Formula: - C30 H30 Cu6 I7 K N12 O2 P2 - Comments: Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence Chemistry of Materials 29(19) (2017) 8093 Space group: R -3 c :H Cell volume: 8792.1 Cell parameters: 14.3646; 14.3646; 49.201; 90; 90; 120; |
| COD ID: 4002865 | |
| CIF file | Formula: - C38 H30 Cu6 I7 N13 O2 P2 - Comments: Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence Chemistry of Materials 29(19) (2017) 8093 Space group: R -3 c :H Cell volume: 8802.6 Cell parameters: 14.2783; 14.2783; 49.8573; 90; 90; 120; |
| COD ID: 4002866 | |
| CIF file | Formula: - Al Mo6 Na9 O24 - Comments: Savina, Aleksandra A.; Morozov, Vladimir A.; Buzlukov, Anton L.; Arapova, Irina Yu.; Stefanovich, Sergey Yu.; Baklanova, Yana V.; Denisova, Tatiana A.; Medvedeva, Nadezhda I.; Bardet, Michel; Hadermann, Joke; Lazoryak, Bogdan I.; Khaikina, Elena G. New Solid Electrolyte Na9Al(MoO4)6: Structure and Na+ Ion Conductivity Chemistry of Materials 29(20) (2017) 8901 Space group: C 1 2/c 1 Cell volume: 2391.16 Cell parameters: 15.4067; 14.6428; 10.625; 90; 93.991; 90; |
| COD ID: 4002867 | |
| CIF file | Formula: - Ge4 Rb4 Se12 - Comments: Liu, Bin-Wen; Zhang, Min-Yi; Jiang, Xiao-Ming; Li, Shu-Fang; Zeng, Hui-Yi; Wang, Guo-Qiang; Fan, Yu-Hang; Su, Yong-Fei; Li, Chunsen; Guo, Guo-Cong; Huang, Jin-Shun Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4‒ Functional Motif in Polar Polyselenides A4Ge4Se12 (A = Rb, Cs) Chemistry of Materials 29(21) (2017) 9200 Space group: P n a 21 Cell volume: 2554 Cell parameters: 14.87; 13.8; 12.445; 90; 90; 90; |
| COD ID: 4002868 | |
| CIF file | Formula: - Cs4 Ge4 Se12 - Comments: Liu, Bin-Wen; Zhang, Min-Yi; Jiang, Xiao-Ming; Li, Shu-Fang; Zeng, Hui-Yi; Wang, Guo-Qiang; Fan, Yu-Hang; Su, Yong-Fei; Li, Chunsen; Guo, Guo-Cong; Huang, Jin-Shun Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4‒ Functional Motif in Polar Polyselenides A4Ge4Se12 (A = Rb, Cs) Chemistry of Materials 29(21) (2017) 9200 Space group: P n a 21 Cell volume: 2721.2 Cell parameters: 15.193; 13.944; 12.845; 90; 90; 90; |
| COD ID: 4002869 | |
| CIF file | Formula: - Ag11.86 Se7 Tl2 - Comments: Shi, Yixuan; Assoud, Abdeljalil; Sankar, Cheriyedath Raj; Kleinke, Holger Tl2Ag12Se7: A New pnp Conduction Switching Material with Extraordinarily Low Thermal Conductivity Chemistry of Materials 29(21) (2017) 9565 Space group: P -3 Cell volume: 1356.6 Cell parameters: 18.9153; 18.9153; 4.3783; 90; 90; 120; |
| COD ID: 4002870 | |
| CIF file | Formula: - C36 H23 Cu3 N3 O18 - Comments: Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Phang, Hui Shi; Li, Yongxin; Zhao, Yanli Highly Effective Carbon Fixation via Catalytic Conversion of CO2 by an Acylamide-Containing Metal‒Organic Framework Chemistry of Materials 29(21) (2017) 9256 Space group: I m m m Cell volume: 20755.7 Cell parameters: 18.7055; 39.8841; 27.8207; 90; 90; 90; |
| COD ID: 4002871 | |
| CIF file | Formula: - C4 H4 Cd N14 - Comments: Xu, Jian-Gang; Sun, Cai; Zhang, Ming-Jian; Liu, Bin-Wen; Li, Xiao-Zhen; Lu, Jian; Wang, Shuai-Hua; Zheng, Fa-Kun; Guo, Guo-Cong Coordination Polymerization of Metal Azides and Powerful Nitrogen-Rich Ligand toward Primary Explosives with Excellent Energetic Performances Chemistry of Materials 29(22) (2017) 9725 Space group: P -1 Cell volume: 262.43 Cell parameters: 5.3664; 6.2313; 8.7401; 70.5; 73.152; 79.38; |
| COD ID: 4002872 | |
| CIF file | Formula: - C4 H4 Co N14 - Comments: Xu, Jian-Gang; Sun, Cai; Zhang, Ming-Jian; Liu, Bin-Wen; Li, Xiao-Zhen; Lu, Jian; Wang, Shuai-Hua; Zheng, Fa-Kun; Guo, Guo-Cong Coordination Polymerization of Metal Azides and Powerful Nitrogen-Rich Ligand toward Primary Explosives with Excellent Energetic Performances Chemistry of Materials 29(22) (2017) 9725 Space group: P -1 Cell volume: 243.58 Cell parameters: 5.2315; 6.0448; 8.497; 71.411; 74.31; 79.01; |
| COD ID: 4002873 | |
| CIF file | Formula: - C2 H12 Br4 N2 Pd - Comments: Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations Chemistry of Materials 29(23) (2017) 9946 Space group: C 1 2/m 1 Cell volume: 1098.52 Cell parameters: 9.9491; 10.5856; 10.6882; 90; 102.604; 90; |
| COD ID: 4002874 | |
| CIF file | Formula: - C8 H24 I4 N2 Sn - Comments: Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations Chemistry of Materials 29(23) (2017) 9946 Space group: P b c a Cell volume: 1962.6 Cell parameters: 8.4218; 8.9253; 26.11; 90; 90; 90; |
| COD ID: 4002875 | |
| CIF file | Formula: - C6 H20 Br4 N2 Pd - Comments: Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations Chemistry of Materials 29(23) (2017) 9946 Space group: P 1 21/c 1 Cell volume: 735.27 Cell parameters: 11.7344; 8.5264; 7.5155; 90; 102.089; 90; |
| COD ID: 4002876 | |
| CIF file | Formula: - Fe2 Ge3 - Comments: Verchenko, Valeriy Yu.; Wei, Zheng; Tsirlin, Alexander A.; Callaert, Carolien; Jesche, Anton; Hadermann, Joke; Dikarev, Evgeny V.; Shevelkov, Andrei V. Crystal Growth of the Nowotny Chimney Ladder Phase Fe2Ge3: Exploring New Fe-Based Narrow-Gap Semiconductor with Promising Thermoelectric Performance Chemistry of Materials 29(23) (2017) 9954 Space group: P -4 c 2 Cell volume: 278.84 Cell parameters: 5.5848; 5.5848; 8.94; 90; 90; 90; |
| COD ID: 4002877 | |
| CIF file | Formula: - C54 H18 Al12 O73.5 - Comments: Benzaqui, Marvin; Pillai, Renjith S.; Sabetghadam, Anahid; Benoit, Virginie; Normand, Perine; Marrot, Jérôme; Menguy, Nicolas; Montero, David; Shepard, William; Tissot, Antoine; Martineau-Corcos, Charlotte; Sicard, Clémence; Mihaylov, Mihail; Carn, Florent; Beurroies, Isabelle; Llewellyn, Philip L.; De Weireld, Guy; Hadjiivanov, Konstantin; Gascon, Jorge; Kapteijn, Freek; Maurin, Guillaume; Steunou, Nathalie; Serre, Christian Revisiting the Aluminum Trimesate-Based MOF (MIL-96): From Structure Determination to the Processing of Mixed Matrix Membranes for CO2 Capture Chemistry of Materials 29(24) (2017) 10326 Space group: P 63/m m c Cell volume: 5535.3 Cell parameters: 14.29; 14.29; 31.3; 90; 90; 120; |
| COD ID: 4002878 | |
| CIF file | Formula: - C56 H52 Cu3 O18 P6 - Comments: Gelfand, Benjamin S.; Huynh, Racheal P. S.; Collins, Sean P.; Woo, Tom K.; Shimizu, George K. H. Computational and Experimental Assessment of CO2 Uptake in Phosphonate Monoester Metal‒Organic Frameworks Chemistry of Materials 29(24) (2017) 10469 Space group: P -1 Cell volume: 2223.42 Cell parameters: 5.0813; 15.1585; 29.3246; 83.882; 85.728; 82.705; |
| COD ID: 4002879 | |
| CIF file | Formula: - C60 H60 Cu3 O18 P6 - Comments: Gelfand, Benjamin S.; Huynh, Racheal P. S.; Collins, Sean P.; Woo, Tom K.; Shimizu, George K. H. Computational and Experimental Assessment of CO2 Uptake in Phosphonate Monoester Metal‒Organic Frameworks Chemistry of Materials 29(24) (2017) 10469 Space group: P 1 21/n 1 Cell volume: 3283.5 Cell parameters: 5.039; 27.642; 23.662; 90; 94.95; 90; |
| COD ID: 4002880 | |
| CIF file | Formula: - C76 H70 B2 F8 N6 O P2 Pd S2 - Comments: d’Aquino, Andrea I.; Kean, Zachary S.; Mirkin, Chad A. Infinite Coordination Polymer Particles Composed of Stimuli-Responsive Coordination Complex Subunits Chemistry of Materials 29(24) (2017) 10284 Space group: P 1 21/c 1 Cell volume: 7241.6 Cell parameters: 9.5073; 35.1644; 21.6818; 90; 92.515; 90; |
| COD ID: 4003331 | |
| CIF file | Formula: - C1.29 H3.01 Al N0.33 O4.09 P0.95 Si0.05 - Comments: Turrina, Alessandro; Garcia, Raquel; Watts, Abigail E.; Greer, Heather F.; Bradley, Jonathan; Zhou, Wuzong; Cox, Paul A.; Shannon, Mervyn D.; Mayoral, Alvaro; Casci, John L.; Wright, Paul A. STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging Chemistry of Materials 29(5) (2017) 2180 Space group: P -3 1 c Cell volume: 4522.96 Cell parameters: 13.17398; 13.17398; 30.0925; 90; 90; 120; |
| COD ID: 4003332 | |
| CIF file | Formula: - Al O4 P0.95 Si0.05 - Comments: Turrina, Alessandro; Garcia, Raquel; Watts, Abigail E.; Greer, Heather F.; Bradley, Jonathan; Zhou, Wuzong; Cox, Paul A.; Shannon, Mervyn D.; Mayoral, Alvaro; Casci, John L.; Wright, Paul A. STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging Chemistry of Materials 29(5) (2017) 2180 Space group: P -3 1 c Cell volume: 4583.47 Cell parameters: 13.15497; 13.15497; 30.5833; 90; 90; 120; |
| COD ID: 4003333 | |
| CIF file | Formula: - C54 H44 N2 O24 P2 Ti6 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P b c a Cell volume: 7171.8 Cell parameters: 14.739; 20.9507; 23.2253; 90; 90; 90; |
| COD ID: 4003334 | |
| CIF file | Formula: - C52 H88 N2 O26 P2 S2 Ti6 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium–Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P 1 21/c 1 Cell volume: 3648.8 Cell parameters: 14.4746; 14.8614; 20.4638; 90; 124.016; 90; |
| COD ID: 4003335 | |
| CIF file | Formula: - C52 H86 N4 O24 P2 Ti6 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium–Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P 1 21/n 1 Cell volume: 3616.8 Cell parameters: 12.414; 15.182; 19.227; 90; 93.528; 90; |
| COD ID: 4003336 | |
| CIF file | Formula: - C54 H88 Cl2 Cu N2 O24 P2 Ti6 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P -1 Cell volume: 3757 Cell parameters: 12.751; 14.762; 21.641; 96.651; 94.063; 110.713; |
| COD ID: 4003337 | |
| CIF file | Formula: - C54 H88 Br2 Cu N2 O24 P2 Ti6 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P -1 Cell volume: 3845.8 Cell parameters: 12.8145; 14.7882; 21.93; 97.346; 94.755; 109.668; |
| COD ID: 4003338 | |
| CIF file | Formula: - C45 H59 Cl Cu N O12 P2 Ti3 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P -1 Cell volume: 2665.3 Cell parameters: 12.349; 12.877; 18.344; 91.107; 107.211; 105.799; |
| COD ID: 4003339 | |
| CIF file | Formula: - C45 H59 Br Cu N O12 P2 Ti3 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P -1 Cell volume: 2670.7 Cell parameters: 12.1894; 12.9651; 18.4828; 91.798; 106.513; 106.143; |
| COD ID: 4003340 | |
| CIF file | Formula: - C45 H56 Cu I N O12 P2 Ti3 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P -1 Cell volume: 2683.8 Cell parameters: 11.9007; 13.1334; 18.7685; 93.366; 105.25; 106.592; |
| COD ID: 4003341 | |
| CIF file | Formula: - C53 H88 Cl Cu N2 O24 P2 Ti6 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P -1 Cell volume: 4212 Cell parameters: 14.756; 14.8185; 20.8524; 72.098; 79.337; 78.319; |
| COD ID: 4003342 | |
| CIF file | Formula: - C54 H88 Br Cu N2 O24 P2 Ti6 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P -1 Cell volume: 4294.1 Cell parameters: 14.802; 14.9813; 20.8176; 72.442; 80.29; 79.364; |
| COD ID: 4003343 | |
| CIF file | Formula: - C53 H79 Cu I N2 O24 P2 Ti6 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P -1 Cell volume: 4264.5 Cell parameters: 14.814; 14.9378; 20.7492; 71.798; 81.023; 79.495; |
| COD ID: 4003344 | |
| CIF file | Formula: - C52 H88 Cl2 Cu N2 O26 P2 S2 Ti6 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P 1 21/c 1 Cell volume: 8261 Cell parameters: 19.8913; 21.1284; 19.7411; 90; 95.314; 90; |
| COD ID: 4003345 | |
| CIF file | Formula: - C52 H88 Br2 Cu2 N2 O26 P2 S2 Ti6 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P 21 21 2 Cell volume: 7999 Cell parameters: 24.2854; 26.7805; 12.2991; 90; 90; 90; |
| COD ID: 4003346 | |
| CIF file | Formula: - C108 H176 Br4 Cu4 N4 O48 P4 Ti12 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P -1 Cell volume: 8421 Cell parameters: 13.56; 25.683; 26.59; 99.185; 104.314; 104.895; |
| COD ID: 4003347 | |
| CIF file | Formula: - C108 H176 Cu4 I4 N4 O48 P4 Ti12 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P -1 Cell volume: 8588 Cell parameters: 13.543; 25.778; 26.753; 98.786; 103.609; 103.991; |
| COD ID: 4003348 | |
| CIF file | Formula: - C104 H172 Cu4 I4 N8 O48 P4 Ti12 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: P -1 Cell volume: 8566 Cell parameters: 13.527; 25.847; 26.657; 98.87; 103.892; 103.725; |
| COD ID: 4003349 | |
| CIF file | Formula: - C168 H276 Cu8 I8 N8 O72 P6 Ti18 - Comments: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials Chemistry of Materials 29(7) (2017) 2681 Space group: R -3 c :H Cell volume: 40391 Cell parameters: 26.733; 26.733; 65.261; 90; 90; 120; |
| COD ID: 4003350 | |
| CIF file | Formula: - C72 H52 Cu4 I4 O2 P4 - Comments: Xie, Mingchen; Han, Chunmiao; Zhang, Jing; Xie, Guohua; Xu, Hui White Electroluminescent Phosphine-Chelated Copper Iodide Nanoclusters Chemistry of Materials 29(16) (2017) 6606 Space group: P -1 Cell volume: 3315.6 Cell parameters: 11.2695; 13.9591; 21.6342; 93.356; 94.042; 101.66; |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!