Crystallography Open Database

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4509902 CIFC168 H96 N12 O79 P12 Zn11R -3 c :H34.0012; 34.0012; 154.0023
90; 90; 120
154186Li, Bao; Chen, Xi; Yu, Fan; Yu, Wenjing; Zhang, Tianle; Sun, Di
Luminescent Response of One Anionic Metal‒Organic Framework Based on Novel Octa-nuclear Zinc Cluster to Exchanged Cations
Crystal Growth & Design, 2014, 14, 410
4509903 CIFC46 H80 N4 O12P 1 21/c 118.8141; 16.8612; 16.0353
90; 94.892; 90
5068.32Bardelang, David; Giorgi, Michel; Hornebecq, Virginie; Stepanov, Anatoli; Hardy, Micaël; Rizzato, Egon; Monnier, Valérie; Zaman, Md. Badruz; Chan, Gordon; Udachin, Konstantin; Enright, Gary; Tordo, Paul; Ouari, Olivier
Hosting Various Guests Including Fullerenes and Free Radicals in Versatile Organic ParamagneticbTbkOpen Frameworks
Crystal Growth & Design, 2014, 14, 467
4509904 CIFC133.53 H207.47 N8 O24R -3 :H49.7671; 49.7671; 29.6709
90; 90; 120
63642Bardelang, David; Giorgi, Michel; Hornebecq, Virginie; Stepanov, Anatoli; Hardy, Micaël; Rizzato, Egon; Monnier, Valérie; Zaman, Md. Badruz; Chan, Gordon; Udachin, Konstantin; Enright, Gary; Tordo, Paul; Ouari, Olivier
Hosting Various Guests Including Fullerenes and Free Radicals in Versatile Organic ParamagneticbTbkOpen Frameworks
Crystal Growth & Design, 2014, 14, 467
4509905 CIFC14 H17 N3 O6 S2P 1 21/n 18.8854; 13.3231; 14.7403
90; 101.159; 90
1711.98Hu, Yun; Gniado, Katarzyna; Erxleben, Andrea; McArdle, Patrick
Mechanochemical Reaction of Sulfathiazole with Carboxylic Acids: Formation of a Cocrystal, a Salt, and Coamorphous Solids
Crystal Growth & Design, 2014, 14, 803
4509906 CIFC11 H11 N3 O6 S2P 1 21/c 18.0392; 19.9339; 8.636
90; 97.715; 90
1371.41Hu, Yun; Gniado, Katarzyna; Erxleben, Andrea; McArdle, Patrick
Mechanochemical Reaction of Sulfathiazole with Carboxylic Acids: Formation of a Cocrystal, a Salt, and Coamorphous Solids
Crystal Growth & Design, 2014, 14, 803
4509907 CIFC14 H8 Cu N2 O8P 1 21/c 112.46; 9.968; 14.021
90; 114.069; 90
1590Mohapatra, Chandrajeet; Chandrasekhar, Vadapalli
Two-Dimensional Homometallic- to a Three Dimensional Heterometallic Coordination Polymer: A Metalloligand Approach
Crystal Growth & Design, 2014, 14, 406
4509908 CIFC20 H24 Cu N2 O8 Sn2P 1 21/n 110.901; 10.346; 11.834
90; 107.066; 90
1275.9Mohapatra, Chandrajeet; Chandrasekhar, Vadapalli
Two-Dimensional Homometallic- to a Three Dimensional Heterometallic Coordination Polymer: A Metalloligand Approach
Crystal Growth & Design, 2014, 14, 406
4509909 CIFC20 H19 Br5 N4 OP -17.791; 9.064; 16.531
86.551; 85.974; 78.416
1139.5Manna, Prankrishna; Seth, Saikat Kumar; Bauzá, Antonio; Mitra, Monojit; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata
pH Dependent Formation of Unprecedented Water–Bromide Cluster in the Bromide Salts of PTP Assisted by Anion−π Interactions: Synthesis, Structure, and DFT Study
Crystal Growth & Design, 2014, 14, 747
4509910 CIFC20 H23 Br3 N4 O3P 1 21/c 18.6394; 25.895; 12.1559
90; 124.25; 90
2247.9Manna, Prankrishna; Seth, Saikat Kumar; Bauzá, Antonio; Mitra, Monojit; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata
pH Dependent Formation of Unprecedented Water–Bromide Cluster in the Bromide Salts of PTP Assisted by Anion−π Interactions: Synthesis, Structure, and DFT Study
Crystal Growth & Design, 2014, 14, 747
4509911 CIFC24 H24 N4 Ni2 O17 V6P 1 2/c 119.056; 9.7904; 26.613
90; 134.35; 90
3550Fernández de Luis, Roberto; Orive, Joseba; Larrea, Edurne S.; Urtiaga, M. Karmele; Arriortua, María I.
Reversible Solid-State Transformation in {Ni2(H2O)2(Bpa)2}(V6O17) Proved by Synchrotron Radiation: Color and Magnetic Properties Change
Crystal Growth & Design, 2014, 14, 658
4509912 CIFC24 H28 N4 Ni2 O19 V6P 1 2/c 119.6177; 9.3725; 26.6897
90; 132.445; 90
3621.3Fernández de Luis, Roberto; Orive, Joseba; Larrea, Edurne S.; Urtiaga, M. Karmele; Arriortua, María I.
Reversible Solid-State Transformation in {Ni2(H2O)2(Bpa)2}(V6O17) Proved by Synchrotron Radiation: Color and Magnetic Properties Change
Crystal Growth & Design, 2014, 14, 658
4509913 CIFC18 H17 Cl N4 O6 SP 1 21/n 112.8613; 5.3305; 29.105
90; 100.016; 90
1964.9Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic
Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties
Crystal Growth & Design, 2014, 14, 783
4509914 CIFC18 H17 Cl N4 O6 SP 1 21/n 14.8206; 20.6135; 19.1406
90; 93.291; 90
1898.9Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic
Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties
Crystal Growth & Design, 2014, 14, 783
4509915 CIFC19 H18 Cl N3 O7 SP 1 21/n 126.823; 4.7607; 18.427
90; 122.37; 90
1987.4Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic
Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties
Crystal Growth & Design, 2014, 14, 783
4509916 CIFC30 H28 Cl2 N6 O11 S2P 1 21/n 15.0178; 38.527; 17.031
90; 94.353; 90
3282.9Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic
Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties
Crystal Growth & Design, 2014, 14, 783
4509917 CIFC16 H14 Br2 N6 ZnP 1 21/n 121.712; 7.7087; 22.024
90; 92.748; 90
3681.9Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang
Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation
Crystal Growth & Design, 2014, 14, 477
4509918 CIFC16 H14 Br2 N6 ZnP 1 21/n 116.039; 23.007; 20.128
90; 96.51; 90
7379.5Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang
Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation
Crystal Growth & Design, 2014, 14, 477
4509919 CIFC34 H28 Fe N14 S2P 1 21/c 116.2395; 15.7632; 13.9861
90; 102.156; 90
3500Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang
Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation
Crystal Growth & Design, 2014, 14, 477
4509920 CIFC47 Fe2 N19 O2 S4P 21 21 2117.1342; 17.7157; 17.9936
90; 90; 90
5461.9Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang
Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation
Crystal Growth & Design, 2014, 14, 477
4509921 CIFC47 H45 Fe2 N19 O2 S4P 21 21 2116.676; 17.192; 17.671
90; 90; 90
5066.2Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang
Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation
Crystal Growth & Design, 2014, 14, 477
4509922 CIFC48 H47 Fe2 N19 O2 S4P 21 21 2116.6608; 17.6843; 17.8456
90; 90; 90
5257.93Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang
Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation
Crystal Growth & Design, 2014, 14, 477
4509923 CIFC48 H50 Fe2 N19 O3.5 S4P -111.8088; 12.4112; 19.618
106.581; 100.09; 95.371
2681.5Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang
Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation
Crystal Growth & Design, 2014, 14, 477
4509924 CIFC160 H174 N72 Ni6 O53P -114.935; 15.074; 21.958
86.882; 77.566; 73.115
4619.2Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang
Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation
Crystal Growth & Design, 2014, 14, 477
4509925 CIFC16 H21 N3 O3P 1 21/c 110.2164; 6.07487; 25.9781
90; 102.821; 90
1572.09Portell, Anna; Prohens, Rafel
Single-Stranded Molecular Helical Assembly from a Self-Complementary Squaramide Compound
Crystal Growth & Design, 2014, 14, 397
4509926 CIFC90 H108 O18 Ru6 Sn6P -112.959; 13.832; 14.44
69.617; 66.648; 79.195
2223.9Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli
Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2
Crystal Growth & Design, 2014, 14, 861
4509927 CIFC144 H132 O18 Ru6 Sn6R -3 :H22.117; 22.117; 24.215
90; 90; 120
10258Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli
Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2
Crystal Growth & Design, 2014, 14, 861
4509928 CIFC108 H96 O18 Ru6 Sn6P -115.068; 15.086; 15.68
69.769; 68.998; 71.416
3044.1Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli
Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2
Crystal Growth & Design, 2014, 14, 861
4509929 CIFC76 H108 O10 Ru4 Sn4P -112.481; 13.445; 13.744
61.104; 72.618; 84.29
1924.2Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli
Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2
Crystal Growth & Design, 2014, 14, 861
4509930 CIFC30 H36 O4 Ru2 SnP b c n21.612; 9.698; 26.478
90; 90; 90
5550Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli
Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2
Crystal Growth & Design, 2014, 14, 861
4509931 CIFC38 H56 O6 Ru2 Sn2P 1 21/n 18.261; 23.95; 10.847
90; 111.639; 90
1994.8Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli
Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2
Crystal Growth & Design, 2014, 14, 861
4509932 CIFC20 H14 N4 O4 ZnP 1 21/c 111.8037; 20.4941; 13.6817
90; 96.031; 90
3291.4Park, Ji Hye; Lee, Woo Ram; Kim, Yeonga; Lee, Hye Jin; Ryu, Dae Won; Phang, Won Ju; Hong, Chang Seop
Interpenetration Control, Sorption Behavior, and Framework Flexibility in Zn(II) Metal‒Organic Frameworks
Crystal Growth & Design, 2014, 14, 699
4509933 CIFC20 H14 N4 O4 ZnP 1 21/n 111.608; 15.781; 14.682
90; 90.824; 90
2689.3Park, Ji Hye; Lee, Woo Ram; Kim, Yeonga; Lee, Hye Jin; Ryu, Dae Won; Phang, Won Ju; Hong, Chang Seop
Interpenetration Control, Sorption Behavior, and Framework Flexibility in Zn(II) Metal‒Organic Frameworks
Crystal Growth & Design, 2014, 14, 699
4509934 CIFC23 H21 N7 O4 ZnP -17.8005; 11.2947; 13.1552
82.719; 80.499; 83.194
1128.26Park, Ji Hye; Lee, Woo Ram; Kim, Yeonga; Lee, Hye Jin; Ryu, Dae Won; Phang, Won Ju; Hong, Chang Seop
Interpenetration Control, Sorption Behavior, and Framework Flexibility in Zn(II) Metal‒Organic Frameworks
Crystal Growth & Design, 2014, 14, 699
4509935 CIFC56 H42 Cu2 N16 O11P 1 21/c 19.9488; 23.117; 11.8918
90; 90.287; 90
2734.9Gong, Yun; Shi, Hui-Fang; Jiang, Peng-Gang; Hua, Wei; Lin, Jian-Hua
Metal(II)-Induced Coordination Polymer Based on 4-(5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoate as an Electrocatalyst for Water Splitting
Crystal Growth & Design, 2014, 14, 649
4509936 CIFC56 H42 Co2 N16 O11P 1 21/c 18.947; 24.276; 12.532
90; 90.125; 90
2721.9Gong, Yun; Shi, Hui-Fang; Jiang, Peng-Gang; Hua, Wei; Lin, Jian-Hua
Metal(II)-Induced Coordination Polymer Based on 4-(5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoate as an Electrocatalyst for Water Splitting
Crystal Growth & Design, 2014, 14, 649
4509937 CIFC56 H42 N16 O11 Zn2P 1 21/c 18.9676; 24.598; 12.6341
90; 90.114; 90
2786.9Gong, Yun; Shi, Hui-Fang; Jiang, Peng-Gang; Hua, Wei; Lin, Jian-Hua
Metal(II)-Induced Coordination Polymer Based on 4-(5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoate as an Electrocatalyst for Water Splitting
Crystal Growth & Design, 2014, 14, 649
4509938 CIFC14 H30 N2 Ni2 O20P -17.1646; 11.6664; 16.2037
109.485; 96.911; 99.708
1235.61Hundal, Geeta; Hundal, Maninder Singh; Hwang, Young Kyu; Chang, Jong San
Supramolecular Interactions between Finite Tapes of Water Molecules and Hydrated Metal Ions To Produce Infinite Two-Dimensional Cationic Layers of Water Molecules
Crystal Growth & Design, 2014, 14, 172
4509939 CIFC24 H40 O5C 1 2 140.334; 7.7289; 15.6202
90; 90.602; 90
4869.1Wang, Xudong; Li, Chenxi; Duan, Yueqin; Lu, Yan
Hydrophobic Tetramer Structures of Cholic Acid
Crystal Growth & Design, 2014, 14, 23
4509940 CIFC18 H14 Br4 N2 O6P -16.4938; 9.2279; 9.9675
64.0531; 85.7704; 73.6886
514.63Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay
Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect
Crystal Growth & Design, 2014, 14, 207
4509941 CIFC18 H18 Br4 N4 O6P 1 21/c 19.2517; 7.0646; 18.7083
90; 101.565; 90
1197.94Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay
Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect
Crystal Growth & Design, 2014, 14, 207
4509942 CIFC8 H2 Br4 O4C 1 2/m 18.0299; 10.3117; 7.0948
90; 99.5592; 90
579.31Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay
Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect
Crystal Growth & Design, 2014, 14, 207
4509943 CIFC8 H6 Br4 O6P 1 21/n 15.8277; 14.727; 16.5226
90; 97.177; 90
1406.9Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay
Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect
Crystal Growth & Design, 2014, 14, 207
4509944 CIFC20 H14 Br4 N6 O6P -18.4983; 8.7073; 9.9547
92.062; 112.55; 114.459
602.4Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay
Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect
Crystal Growth & Design, 2014, 14, 207
4509945 CIFC18 H10 Br4 I2 N2 O4P -16.8225; 8.9985; 10.1541
96.117; 90.172; 106.548
593.8Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay
Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect
Crystal Growth & Design, 2014, 14, 207
4509946 CIFC8 H9 Cu N5 O5P 1 21/c 19.793; 14.477; 7.6369
90; 106.032; 90
1040.6El Bakkali, H.; Castiñeiras, A.; García-Santos, I.; González-Pérez, J. M.; Niclós-Gutiérrez, J.
Metallo-Supramolecular Structures by Self-Assembly through Weak Interactions in Mixed Ligand Metal Complexes of Adenine and Malonate
Crystal Growth & Design, 2014, 14, 249
4509947 CIFC16 H22 N10 O12 Zn2P 1 21/c 17.0521; 10.505; 16.0669
90; 90.121; 90
1190.27El Bakkali, H.; Castiñeiras, A.; García-Santos, I.; González-Pérez, J. M.; Niclós-Gutiérrez, J.
Metallo-Supramolecular Structures by Self-Assembly through Weak Interactions in Mixed Ligand Metal Complexes of Adenine and Malonate
Crystal Growth & Design, 2014, 14, 249
4509948 CIFC16 H34 Co2 N10 O18P 1 21/c 114.2033; 14.7848; 7.0659
90; 102.643; 90
1447.81El Bakkali, H.; Castiñeiras, A.; García-Santos, I.; González-Pérez, J. M.; Niclós-Gutiérrez, J.
Metallo-Supramolecular Structures by Self-Assembly through Weak Interactions in Mixed Ligand Metal Complexes of Adenine and Malonate
Crystal Growth & Design, 2014, 14, 249
4509949 CIFBi Cl OP 4/n m m :23.88551; 3.88551; 7.3489
90; 90; 90
110.948Biswas, Anupam; Das, Raja; Dey, Chandan; Banerjee, Rahul; Poddar, Pankaj
Ligand-Free One-Step Synthesis of {001} Faceted Semiconducting BiOCl Single Crystals and Their Photocatalytic Activity
Crystal Growth & Design, 2014, 14, 236
4509950 CIFC20 H10 Br2 N2C 1 2/c 13.8641; 26.562; 14.773
90; 95.929; 90
1508.2Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran
Rational Design of Lamellar π–π Stacked Organic Crystalline Materials with Short Interplanar Distance
Crystal Growth & Design, 2014, 14, 350
4509951 CIFC26 H10 F14 N2C c c a :216.966; 38.644; 6.9694
90; 90; 90
4569Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran
Rational Design of Lamellar π–π Stacked Organic Crystalline Materials with Short Interplanar Distance
Crystal Growth & Design, 2014, 14, 350

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