Crystallography Open Database

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4124996 CIFC84 H86 B F20 Li N4 Si2A e a 221.7127; 29.2279; 26.0364
90; 90; 90
16523.1Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.
Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.
Journal of the American Chemical Society, 2016, 138, 4589-4600
4127247 CIFC16 H16 N2 O2A e a 221.686; 17.836; 7.2977
90; 90; 90
2822.7Shao, Baihao; Qian, Hai; Li, Quan; Aprahamian, Ivan
Structure Property Analysis of the Solution and Solid-State Properties of Bistable Photochromic Hydrazones.
Journal of the American Chemical Society, 2019, 141, 8364-8371
4129594 CIFC27 H31 Co N2A e a 216.0692; 16.4154; 8.581
90; 90; 90
2263.5Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.
Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.
Journal of the American Chemical Society, 2015, 137, 13244-13247
4131240 CIFC6 H18 Br4 N2 PbA e a 241.685; 23.962; 12
90; 90; 90
11986Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.
White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.
Journal of the American Chemical Society, 2017, 139, 5210-5215
4131953 CIFC24 H26 N2 O7A e a 213.6713; 37.374; 8.2094
90; 90; 90
4194.6Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131995 CIFC12 H7 F3 N2A e a 214.047; 14.609; 10.026
90; 90; 90
2057.5Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Murakami, Youichi; Kumai, Reiji
Field-Induced Antipolar-Polar Structural Transformation and Giant Electrostriction in Organic Crystal.
Journal of the American Chemical Society, 2018, 140, 3842-3845
4134273 CIFC10 H20 F4 I4 N2 PbA e a 29.2974; 25.1758; 8.9611
90; 90; 90
2097.52Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen
Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.
Journal of the American Chemical Society, 2020
4134277 CIFC10 H20 F4 I4 N2 PbA e a 29.2541; 25.0703; 8.9483
90; 90; 90
2076.03Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen
Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.
Journal of the American Chemical Society, 2020
4134282 CIFC10 H20 F4 I4 N2 PbA e a 29.3456; 25.3587; 9.0113
90; 90; 90
2135.61Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen
Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric.
Journal of the American Chemical Society, 2020
4301104 CIFC84 H132 Cu4 N8 O20 P4A e a 217.8321; 26.9021; 19.4751
90; 90; 90
9342.6Ramaswamy Murugavel; Subramaniam Kuppuswamy; Amarendra Nath Maity; Mayank Pratap Singh
Di-, Tri-, Tetra-, and Hexanuclear Copper(II) Mono-organophosphates: Structure and Nuclearity Dependence on the Choice of Phosphorus Substituents and Auxiliary N-Donor Ligands
Inorganic Chemistry, 2009, 48, 183-192
4304029 CIFC58 H72 Cu2 N4 O4A e a 213.677; 34.017; 10.88
90; 90; 90
5062Atasi Mukherjee; Francesc Lloret; Rabindranath Mukherjee
Synthesis and Properties of Diphenoxo-Bridged CoII, NiII, CuII, and ZnII Complexes of a New Tripodal Ligand: Generation and Properties of MII-Coordinated Phenoxyl Radical Species
Inorganic Chemistry, 2008, 47, 4471-4480
4310628 CIFC28 H20 Cu N6A e a 28.9282; 8.915; 28.113
90; 90; 90
2237.7Sara R. Halper; Mitchell R. Malachowski; Heather M. Delaney; Seth M. Cohen
Heteroleptic Copper Dipyrromethene Complexes: Synthesis, Structure, and Coordination Polymers
Inorganic Chemistry, 2004, 43, 1242-1249
4311428 CIFC16 H30 Cl2 Cu2 N6A e a 216.8277; 12.2576; 9.7062
90; 90; 90
2002.07Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock
Structural Consequences of the Prohibition of Hydrogen Bonding in Copper-Guanidine Systems
Inorganic Chemistry, 2004, 43, 5168-5172
4312581 CIFC20 H42 Fe N4A e a 214.6874; 13.9418; 11.7564
90; 90; 90
2407.3Booyong S. Lim; Antti Rahtu; Jin-Seong Park; Roy G. Gordon
Synthesis and Characterization of Volatile, Thermally Stable, Reactive Transition Metal Amidinates
Inorganic Chemistry, 2003, 42, 7951-7958
4314054 CIFC72 H84 K4 O8A e a 218.178; 19.511; 19.055
90; 90; 90
6758.3Timothy J. Boyle; Nicholas L. Andrews; Mark A. Rodriguez; Charles Campana; Timothy Yiu
Structural Variations of Potassium Aryloxides
Inorganic Chemistry, 2003, 42, 5357-5366
4315821 CIFC90 H174 Er2 N12 S2 Si8A e a 219.613; 21.093; 29.578
90; 90; 90
12236Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou
Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides
Inorganic Chemistry, 2010, 49, 5715-5722
4315824 CIFC84 H178 Er2 N12 S2 Si8A e a 219.325; 20.926; 29.977
90; 90; 90
12123Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou
Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides
Inorganic Chemistry, 2010, 49, 5715-5722
4315826 CIFC84 H178 N12 S2 Si8 Yb2A e a 219.462; 21.004; 29.844
90; 90; 90
12200Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou
Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides
Inorganic Chemistry, 2010, 49, 5715-5722
4315827 CIFC84 H178 N12 S2 Si8 Y2A e a 219.299; 20.872; 30.127
90; 90; 90
12135Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou
Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides
Inorganic Chemistry, 2010, 49, 5715-5722
4315828 CIFC88 H170 Er2 N12 S2 Si8A e a 219.329; 21.163; 29.585
90; 90; 90
12102Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou
Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides
Inorganic Chemistry, 2010, 49, 5715-5722
4315829 CIFC88 H170 N12 S2 Si8 Yb2A e a 219.327; 21.14; 29.528
90; 90; 90
12064Zhengxing Zhang; Lixin Zhang; Yanrong Li; Longcheng Hong; Zhenxia Chen; Xigeng Zhou
Activation of Bis(guanidinate)lanthanide Alkyl and Aryl Complexes on Elemental Sulfur: Synthesis and Characterization of Bis(guanidinate)lanthanide Thiolates and Disulfides
Inorganic Chemistry, 2010, 49, 5715-5722
4332295 CIFC26 H24 I4 P2A e a 215.2158; 15.2876; 12.3342
90; 90; 90
2869.1Ellis, Bobby D.; Macdonald, Charles L. B.
Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds
Inorganic Chemistry, 2006, 45, 6864-6874
4334168 CIFC41 H45 N3 O5 P2A e a 222.2182; 15.4755; 10.8569
90; 90; 90
3733Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau
Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms
Inorganic Chemistry, 2013, 52, 3063-3083
4334169 CIFC41 H45 N3 O5 P2A e a 222.2568; 15.4841; 10.8479
90; 90; 90
3738.5Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau
Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms
Inorganic Chemistry, 2013, 52, 3063-3083
4339669 CIFC36 H50 Ce3 Mn2 N6 O30A e a 222.6707; 14.8735; 15.7286
90; 90; 90
5303.6Tasiopoulos, Anastasios J.; Milligan, Jr, Paul L; Abboud, Khalil A.; O'Brien, Ted A; Christou, George
Mixed transition metal-lanthanide complexes at high oxidation states: heteronuclear CeIVMnIV clusters.
Inorganic chemistry, 2007, 46, 9678-9691
4342868 CIFC62 H56 Cl4 Er N7 O11A e a 218.705; 14.048; 23.527
90; 90; 90
6182.1Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei
Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers.
Inorganic chemistry, 2015, 54, 5295-5300
4342869 CIFC62 H56 Cl4 N7 O11 YbA e a 218.705; 14.048; 23.527
90; 90; 90
6182.1Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei
Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers.
Inorganic chemistry, 2015, 54, 5295-5300
4344458 CIFC23 H20 B12 Co2 F12 OA e a 219.6; 19.585; 16.583
90; 90; 90
6366Malischewski, Moritz; Bukovsky, Eric V.; Strauss, Steven H.; Seppelt, Konrad
Jahn-Teller Effect in the B12F12 Radical Anion and Energetic Preference of an Octahedral B6(BF2)6 Cluster Structure over an Icosahedral Structure for the Elusive Neutral B12F12.
Inorganic chemistry, 2015, 54, 11563-11566
4346149 CIFC18 H22 Fe N6 Se2A e a 213.2; 17.8552; 9.0813
90; 90; 90
2140.4Luan, Jie; Zhou, Jian; Liu, Zhan; Zhu, Bowen; Wang, Huisi; Bao, Xin; Liu, Wei; Tong, Ming-Liang; Peng, Guo; Peng, Haonan; Salmon, Lionel; Bousseksou, Azzedine
Polymorphism-Dependent Spin-Crossover: Hysteretic Two-Step Spin Transition with an Ordered [HS-HS-LS] Intermediate Phase.
Inorganic chemistry, 2015, 54, 5145-5147
4346150 CIFC18 H22 Fe N6 Se2A e a 239.457; 17.701; 8.9839
90; 90; 90
6274.6Luan, Jie; Zhou, Jian; Liu, Zhan; Zhu, Bowen; Wang, Huisi; Bao, Xin; Liu, Wei; Tong, Ming-Liang; Peng, Guo; Peng, Haonan; Salmon, Lionel; Bousseksou, Azzedine
Polymorphism-Dependent Spin-Crossover: Hysteretic Two-Step Spin Transition with an Ordered [HS-HS-LS] Intermediate Phase.
Inorganic chemistry, 2015, 54, 5145-5147
4346342 CIFC52 H68 Co2 N46 O35A e a 217.9725; 32.179; 15.7563
90; 90; 90
9112Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian
Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.
Inorganic chemistry, 2015, 54, 8077-8086
4347097 CIFC62 H60 Au2 Br2 N8 O2A e a 219.9551; 20.196; 27.3545
90; 90; 90
11024.2Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P.
Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes.
Inorganic chemistry, 2016, 55, 4720-4732
4347106 CIFC48 H50 Br4 N6 P2 Pd2A e a 217.937; 25.291; 13.2153
90; 90; 90
5995.1Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit
Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes.
Inorganic chemistry, 2016, 55, 2882-2893
4347508 CIFC36 H20 Fe N10 S4A e a 212.7935; 26.6085; 9.9374
90; 90; 90
3382.8Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song
Two Magnetic Switching Complexes Based on the Fe(II) Ion.
Inorganic chemistry, 2016, 55, 7805-7807
4347509 CIFC36 H20 Fe N10 S4A e a 213.402; 26.5439; 9.5831
90; 90; 90
3409.1Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song
Two Magnetic Switching Complexes Based on the Fe(II) Ion.
Inorganic chemistry, 2016, 55, 7805-7807
4349276 CIFC113 H88 O18 Ru8 S2A e a 231.004; 28.866; 22.39
90; 90; 90
20038Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław
Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.
Inorganic chemistry, 2016, 55, 12061-12073
4349728 CIFC4 H16 Bi Cl5 N2A e a 217.5405; 21.767; 7.47911
90; 90; 90
2855.55Piecha-Bisiorek, Anna; Gągor, Anna; Jakubas, Ryszard; Ciżman, Agnieszka; Janicki, Rafał; Medycki, Wojciech
Ferroelectricity in bis(ethylammonium) pentachlorobismuthate(iii): synthesis, structure, polar and spectroscopic properties
Inorganic Chemistry Frontiers, 2017, 4, 1281
4349730 CIFC10 H28 Cd Cl4 N2A e a 27.45; 33.85; 7.42
90; 90; 90
1871Wang, Zhongxia; Lv, Xing-Hui; Liu, Yu-Ling; Lu, Yang; Chen, Hai-Peng; Ge, Jia-Zhen
Prominent dielectric transitions in layered organic‒inorganic hybrids: (isoamyl-ammonium)2CdX4 (X = Cl and Br)
Inorganic Chemistry Frontiers, 2017, 4, 1330
4350049 CIFC26 H26 Fe N6 S2A e a 215.7067; 18.4252; 8.8199
90; 90; 90
2552.5Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin
Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes
Inorganic Chemistry Frontiers, 2019, 6, 2194
4350180 CIFC16 H37 Gd1.5 N12.5 O17 Ru2A e a 225.1267; 22.1514; 13.6062
90; 90; 90
7573.1Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.
Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.
Inorganic chemistry, 2006, 45, 3895-3904
4350182 CIFC16 H36 N12.5 O16.5 Ru2 Yb1.5A e a 224.9856; 21.9719; 13.483
90; 90; 90
7401.9Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.
Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.
Inorganic chemistry, 2006, 45, 3895-3904
4350183 CIFC16 H37 Eu1.5 N12.5 O17 Ru2A e a 225.16; 22.2; 13.623
90; 90; 90
7609Herrera, Juan-Manuel; Pope, Simon J. A.; Adams, Harry; Faulkner, Stephen; Ward, Michael D.
Structural and photophysical properties of coordination networks combining [Ru(Bpym)(CN)4]2- or [[Ru(CN)4]2(mu-bpym)]4- anions (bpym = 2,2'-bipyrimidine) with lanthanide(III) cations: sensitized near-infrared luminescence from Yb(III), Nd(III), and Er(III) following Ru-to-lanthanide energy transfer.
Inorganic chemistry, 2006, 45, 3895-3904
4350669 CIFC18 Cu N3 O8 UA e a 227.757; 10.734; 14.194
90; 90; 90
4229Weng, Zhehui; Zhang, Zhi-hui; Olds, Travis; Sterniczuk, Marcin; Burns, Peter C.
Copper(I) and copper(II) uranyl heterometallic hybrid materials.
Inorganic chemistry, 2014, 53, 7993-7998
4501754 CIFC29 H25 Ce N9 O16A e a 215.9668; 17.7252; 11.5612
90; 90; 90
3271.99Das, Babulal; Baruah, Jubaraj B.
Protonated Adenine and Cytosine Ribbons Stabilized by Dipicolinato Metal Frameworks
Crystal Growth & Design, 2010, 10, 3242
4513766 CIFC20 H26 Cl F6 N3 P RhA e a 228.458; 12.7428; 13.1834
90; 90; 90
4780.8Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
4516741 CIFC20 H32 Co P4A e a 215.7643; 16.3813; 8.9459
90; 90; 90
2310.19Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.
Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis
ACS Catalysis, 2017, 7, 6008
4517568 CIFC17 H14 Cl I N2 O2A e a 231.3169; 13.0613; 7.9634
90; 90; 90
3257.34Sun, Han-Li; Yang, Fan; Ye, Wei-Ting; Wang, Jun-Jie; Zhu, Rong
Dual Cobalt and Photoredox Catalysis Enabled Intermolecular Oxidative Hydrofunctionalization
ACS Catalysis, 2020, 10, 4983-4989
4518151 CIFBa F2 Mo2 O10 Se2A e a 212.3643; 11.0325; 7.2946
90; 90; 90
995.1Lin, Lin; Jiang, Xingxing; Wu, Chao; Li, Longhua; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi
Ba(MoO2F)2(XO3)2 (X = Se and Te): First Cases of Noncentrosymmetric Fluorinated Molybdenum Oxide Selenite/Tellurite Through Unary Substitution for Enlarging Band Gaps and Second Harmonic Generation
ACS Applied Materials & Interfaces, 2020
4518152 CIFBa F2 Mo2 O10 Te2A e a 212.5591; 11.0137; 7.2753
90; 90; 90
1006.34Lin, Lin; Jiang, Xingxing; Wu, Chao; Li, Longhua; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi
Ba(MoO2F)2(XO3)2 (X = Se and Te): First Cases of Noncentrosymmetric Fluorinated Molybdenum Oxide Selenite/Tellurite Through Unary Substitution for Enlarging Band Gaps and Second Harmonic Generation
ACS Applied Materials & Interfaces, 2020
4518923 CIFHg3 P2 S8A e a 216.3786; 8.1613; 9.2723
90; 90; 90
1239.43Xing, Wenhao; Liang, Fei; Tang, Chunlan; Uykur, Ece; Lin, Zheshuai; Yao, Jiyong; Yin, Wenlong; Kang, Bin
Highly Distorted [HgS<sub>4</sub>] Motif-Driven Structural Symmetry Degradation and Strengthened Second-Harmonic Generation Response in the Defect Diamond-Like Chalcogenide Hg<sub>3</sub>P<sub>2</sub>S<sub>8</sub>.
ACS applied materials & interfaces, 2021

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