Crystallography Open Database

Result : There are 201 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 'ACS Omega' volume of publication is 5

COD ID: 1558131
CIF file Formula: - C28 H24 Cl N2 O5 -
Comments: Duan, Wen-Di; Zhang, Yu-Fang; Hu, Youhong NaH Promoted One-Pot Tandem Reactions of 3-(1-Alkynyl) Chromones to Form 2-Nitrogen-Substituted Xanthones ACS Omega 5(22) (2020) 13454-13461
Space group: P 4/n :2
Cell volume: 5495
Cell parameters: 26.429; 26.429; 7.867; 90; 90; 90;  

COD ID: 4517297
CIF file Formula: - C84 H54 Cl2 P2 Pd -
Comments: Beránek, Tomáš; Žádný, Jaroslav; Strašák, Tomáš; Karban, Jindřich; Císařová, Ivana; Sýkora, Jan; Storch, Jan Synthesis of a Helical Phosphine and a Catalytic Study of Its Palladium Complex. ACS omega 5(1) (2020) 882-892
Space group: P 1 n 1
Cell volume: 7257.5
Cell parameters: 16.66; 15.5656; 28.2198; 90; 97.375; 90;  

COD ID: 4517306
CIF file Formula: - C22 H33 N3 O4 S Si -
Comments: Prybil, Joshua W.; Wallace, Rodney; Warren, Alexandra; Klingman, Jordan; Vaillant, Romane; Hall, Michael B.; Yang, Xin; Brennessel, William W.; Chin, Robert M. Silylation of Pyridine, Picolines, and Quinoline with a Zinc Catalyst ACS Omega 5(3) (2020) 1528-1539
Space group: P 63/m
Cell volume: 3650.98
Cell parameters: 23.6621; 23.6621; 7.5296; 90; 90; 120;  

COD ID: 4517307
CIF file Formula: - C41 H50 B2 N4 P2 Ti -
Comments: Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K. Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine–Borane Complexes ACS Omega 5(3) (2020) 1595-1606
Space group: P 1 21/c 1
Cell volume: 3981.29
Cell parameters: 11.0617; 24.4886; 17.3459; 90; 122.08; 90;  

COD ID: 4517308
CIF file Formula: - C40 H40 B2 Cl0 N2 P2 Zr -
Comments: Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K. Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine‒Borane Complexes ACS Omega 5(3) (2020) 1595-1606
Space group: P -1
Cell volume: 3561.4
Cell parameters: 10.8835; 13.0462; 26.353; 95.711; 101.515; 101.049;  

COD ID: 4517309
CIF file Formula: - C60 H60 B4 N4 P4 Zr -
Comments: Bhattacharjee, Jayeeta; Harinath, Adimulam; Bano, Kulsum; Panda, Tarun K. Highly Chemoselective Hydroboration of Alkynes and Nitriles Catalyzed by Group 4 Metal Amidophosphine–Borane Complexes ACS Omega 5(3) (2020) 1595-1606
Space group: P 1 21/n 1
Cell volume: 6295.03
Cell parameters: 12.6729; 21.3485; 23.3993; 90; 96.078; 90;  

COD ID: 4517386
CIF file Formula: - C14 H18 N6 O3 S -
Comments: Oliveira, Ana P. A.; Freitas, Jennifer T. J.; Diniz, Renata; Pessoa, Claudia; Maranhão, Sarah S; Ribeiro, Juliana M.; Souza-Fagundes, Elaine M; Beraldo, Heloisa Triethylphosphinegold(I) Complexes with Secnidazole-Derived Thiosemicarbazones: Cytotoxic Activity against HCT-116 Colorectal Cancer Cells under Hypoxia Conditions. ACS omega 5(6) (2020) 2939-2946
Space group: P b c a
Cell volume: 3362.7
Cell parameters: 15.3961; 13.602; 16.0574; 90; 90; 90;  

COD ID: 4517387
CIF file Formula: - C9 H14 N6 O2 S -
Comments: Oliveira, Ana P. A.; Freitas, Jennifer T. J.; Diniz, Renata; Pessoa, Claudia; Maranhão, Sarah S; Ribeiro, Juliana M.; Souza-Fagundes, Elaine M; Beraldo, Heloisa Triethylphosphinegold(I) Complexes with Secnidazole-Derived Thiosemicarbazones: Cytotoxic Activity against HCT-116 Colorectal Cancer Cells under Hypoxia Conditions. ACS omega 5(6) (2020) 2939-2946
Space group: P -1
Cell volume: 642.57
Cell parameters: 8.1536; 8.732; 9.8349; 89.139; 81.378; 68.29;  

COD ID: 4517403
CIF file Formula: - C6 H6 Cl2 O7 U0.5 -
Comments: Refn, Vanja E.; Kubus, Mariusz; Mossin, Susanne; Larsen, René Wugt; Pedersen, Kasper S. A Redox-Innocent Uranium(IV)-Quinoid Metal-Organic Framework. ACS omega 5(7) (2020) 3462-3466
Space group: C 1 2/c 1
Cell volume: 1942.65
Cell parameters: 13.7293; 11.363; 12.5175; 90; 95.847; 90;  

COD ID: 4517404
CIF file Formula: - C12 H12 Cl4 O14 U -
Comments: Refn, Vanja E.; Kubus, Mariusz; Mossin, Susanne; Larsen, René Wugt; Pedersen, Kasper S. A Redox-Innocent Uranium(IV)-Quinoid Metal-Organic Framework. ACS omega 5(7) (2020) 3462-3466
Space group: C 1 2/c 1
Cell volume: 1996.6
Cell parameters: 13.8598; 11.496; 12.61; 90; 96.415; 90;  

COD ID: 4517405
CIF file Formula: - C25 H17 N O2 -
Comments: Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H. Cs<sub>2</sub>CO<sub>3</sub>-Mediated Rapid Room-Temperature Synthesis of 3-Amino-2-aroyl Benzofurans and Their Copper-Catalyzed <i>N</i>-Arylation Reactions. ACS omega 5(7) (2020) 3646-3660
Space group: P -1
Cell volume: 1832
Cell parameters: 9.529; 10.567; 20.407; 87.353; 86.97; 63.261;  

COD ID: 4517407
CIF file Formula: - C17 H23 N3 O3 S -
Comments: Chiou, Wen-Hua; Hsu, Kuo-Hsun; Huang, Wen-Wei Rh-Catalyzed Hydroformylation-Initiated Bicyclization: Construction of Azabicyclic Systems. ACS omega 5(7) (2020) 3717-3724
Space group: P 1
Cell volume: 436.18
Cell parameters: 7.9413; 7.9555; 8.0755; 81.685; 63.54; 72.764;  

COD ID: 4517414
CIF file Formula: - C26 H28 N6 O14 Zn -
Comments: Brahma, Rinki; Baruah, Jubaraj B. Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors. ACS omega 5(7) (2020) 3774-3785
Space group: P 1 21/n 1
Cell volume: 1476.57
Cell parameters: 7.8574; 19.2849; 9.9755; 90; 102.355; 90;  

COD ID: 4517415
CIF file Formula: - C20 H20 N4 O12 Zn -
Comments: Brahma, Rinki; Baruah, Jubaraj B. Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors. ACS omega 5(7) (2020) 3774-3785
Space group: P -1
Cell volume: 1160.3
Cell parameters: 5.9866; 8.7293; 22.354; 96.624; 90.797; 90.264;  

COD ID: 4517416
CIF file Formula: - C28 H28 N6 O12 Zn -
Comments: Brahma, Rinki; Baruah, Jubaraj B. Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors. ACS omega 5(7) (2020) 3774-3785
Space group: C 1 2/c 1
Cell volume: 3076.5
Cell parameters: 20.1428; 6.2816; 25.1031; 90; 104.399; 90;  

COD ID: 4517417
CIF file Formula: - C42 H36 N8 O20 Zn2 -
Comments: Brahma, Rinki; Baruah, Jubaraj B. Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors. ACS omega 5(7) (2020) 3774-3785
Space group: C 1 2/c 1
Cell volume: 4473
Cell parameters: 22.0343; 13.6328; 15.1548; 90; 100.715; 90;  

COD ID: 4517418
CIF file Formula: - C26 H22 N6 O11 Zn -
Comments: Brahma, Rinki; Baruah, Jubaraj B. Self-Assemblies of Zinc Complexes for Aggregation-Induced Emission Luminogen Precursors. ACS omega 5(7) (2020) 3774-3785
Space group: P -1
Cell volume: 1367.3
Cell parameters: 8.0671; 12.718; 14.3069; 81.172; 76.06; 74.624;  

COD ID: 4517430
CIF file Formula: - C49 H30 N2 O -
Comments: Wang, Sha-Sha; Rong, Rong; Liu, Yi-Ran; Hu, Xiao; Zhang, He; Yu, Yang; Wei, Ying; Xie, Ling-Hai; Huang, Wei The Dimensionality Transition between Three-Dimensional and Two-Dimensional Organic Microcrystals: Specific Symmetry and Selective Adhesion. ACS omega 5(7) (2020) 3749-3754
Space group: P 1 21/n 1
Cell volume: 3342.8
Cell parameters: 9.6783; 23.209; 14.9411; 90; 95.11; 90;  

COD ID: 4517432
CIF file Formula: - C18 H14 F4 O4 -
Comments: Liu, Guangyuan; Zhang, Xingxing; Kuang, Guanghua; Lu, Naihao; Fu, Yang; Peng, Yiyuan; Xiao, Qiang; Zhou, Yirong Phosphine-Free Ru-Catalyzed Regio- and Stereoselective Addition of Benzoic Acids to Trifluoromethylated Alkynes toward Facile Access to Trifluoromethyl Group-Substituted (E)-Enol Esters ACS Omega 5(8) (2020) 4158-4166
Space group: P 1 21/c 1
Cell volume: 1719
Cell parameters: 13.7445; 17.581; 7.2542; 90; 101.283; 90;  

COD ID: 4517503
CIF file Formula: - C5 H3 Au Cl2 N2 O2 -
Comments: Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K. Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety ACS Omega 5(12) (2020) 6826-6833
Space group: P b c a
Cell volume: 1723.6
Cell parameters: 7.2868; 14.4003; 16.4259; 90; 90; 90;  

COD ID: 4517504
CIF file Formula: - C24 H22 Au F3 N3 O5 P S -
Comments: Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K. Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety ACS Omega 5(12) (2020) 6826-6833
Space group: P -1
Cell volume: 1356
Cell parameters: 7.0334; 12.6524; 15.688; 79.435; 81.214; 89.464;  

COD ID: 4517505
CIF file Formula: - C5 H4 Au Cl2 N3 O -
Comments: Stenger-Smith, Jenny; Kamariza, Mireille; Chakraborty, Indranil; Ouattara, Ramatoulaye; Bertozzi, Carolyn R.; Mascharak, Pradip K. Enhanced Bactericidal Effects of Pyrazinamide Toward Mycobacterium smegmatis and Mycobacterium tuberculosis upon Conjugation to a {Au(I)-triphenylphosphine}+ Moiety ACS Omega 5(12) (2020) 6826-6833
Space group: P -1
Cell volume: 413.06
Cell parameters: 6.6857; 7.2848; 8.9057; 94.664; 106.878; 91.649;  

COD ID: 4517506
CIF file Formula: - C15 H8 Cl4 F6 N4 O -
Comments: Mondal, Amita; Hazra, Abhijit; Chakrabarty, Jitamanyu; Bose K, Jagadeesh C.; Banerjee, Priyabrata Tandem Detection of Sub-Nano Molar Level CN– and Hg2+ in Aqueous Medium by a Suitable Molecular Sensor: A Viable Solution for Detection of CN– and Development of the RGB-Based Sensory Device ACS Omega 5(12) (2020) 6576-6587
Space group: P 21 21 2
Cell volume: 968.9
Cell parameters: 12.627; 16.99; 4.5162; 90; 90; 90;  

COD ID: 4517507
CIF file Formula: - C4 H10 Cd Cl4 F6 N2 -
Comments: Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4] ACS Omega 5(12) (2020) 6773-6780
Space group: C 1 2/c 1
Cell volume: 1390.6
Cell parameters: 25.831; 7.3258; 7.3487; 90; 90; 90;  

COD ID: 4517508
CIF file Formula: - C4 H12 Cd Cl4 F4 N2 -
Comments: Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4] ACS Omega 5(12) (2020) 6773-6780
Space group: P b c a
Cell volume: 1284.6
Cell parameters: 7.5273; 7.4027; 23.054; 90; 90; 90;  

COD ID: 4517509
CIF file Formula: - C4 H14 Cd Cl4 F2 N2 -
Comments: Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4] ACS Omega 5(12) (2020) 6773-6780
Space group: P 1 21/c 1
Cell volume: 607.24
Cell parameters: 11.2047; 7.6515; 7.305; 90; 104.162; 90;  

COD ID: 4517510
CIF file Formula: - C4 H12 Cd Cl4 F4 N2 -
Comments: Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4] ACS Omega 5(12) (2020) 6773-6780
Space group: C m c e
Cell volume: 1320
Cell parameters: 7.461; 23.412; 7.5566; 90; 90; 90;  

COD ID: 4517511
CIF file Formula: - C H1.5 Cd0.25 Cl F0.5 N0.5 -
Comments: Song, Ning; Chen, Shao-Peng; Fan, Xiao-Wei; Tan, Yu-Hui; Wei, Wen-Juan; Tang, Yun-Zhi Regulating Reversible Phase Transition Behaviors by Poly-H/F Substitution in Hybrid Perovskite-Like 2[CH2FCH2NH3]·[CdCl4] ACS Omega 5(12) (2020) 6773-6780
Space group: C m c e
Cell volume: 1233.3
Cell parameters: 7.4525; 21.842; 7.5766; 90; 90; 90;  

COD ID: 4517538
CIF file Formula: - C44 H42 Co2 F6 N2 O9 -
Comments: Song, Xiao-Jiao; Xue, Xiao-Ming Study on the Magneto-Structural Correlation of a New Dinuclear Cobalt(II) Complex with Double μ-Phenoxo Bridges. ACS omega 5(14) (2020) 8347-8354
Space group: C 1 2/c 1
Cell volume: 8526
Cell parameters: 28.201; 14.449; 20.928; 90; 91.058; 90;  

COD ID: 4517539
CIF file Formula: - C17 H14 F3 N O2 -
Comments: Song, Xiao-Jiao; Xue, Xiao-Ming Study on the Magneto-Structural Correlation of a New Dinuclear Cobalt(II) Complex with Double μ-Phenoxo Bridges. ACS omega 5(14) (2020) 8347-8354
Space group: C 1 c 1
Cell volume: 1469.9
Cell parameters: 4.42; 43.948; 7.635; 90; 97.64; 90;  

COD ID: 4517540
CIF file Formula: - C46 H26 Br8 F4 N4 O2 -
Comments: Thomas, Kolle E.; Slebodnick, Carla; Ghosh, Abhik Facile Supramolecular Engineering of Porphyrin cis Tautomers: The Case of β-Octabromo-<i>meso</i>-tetraarylporphyrins. ACS omega 5(15) (2020) 8893-8901
Space group: I 41/a :2
Cell volume: 4408.8
Cell parameters: 20.8825; 20.8825; 10.11; 90; 90; 90;  

COD ID: 4517541
CIF file Formula: - C50 H26 Br8 F12 N4 O2 -
Comments: Thomas, Kolle E.; Slebodnick, Carla; Ghosh, Abhik Facile Supramolecular Engineering of Porphyrin cis Tautomers: The Case of β-Octabromo-<i>meso</i>-tetraarylporphyrins. ACS omega 5(15) (2020) 8893-8901
Space group: P 1 21/c 1
Cell volume: 10623
Cell parameters: 36.7959; 10.19901; 30.7172; 90; 112.85; 90;  

COD ID: 4517542
CIF file Formula: - C50 H51 Cl O P2 Pd -
Comments: Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes. ACS omega 5(15) (2020) 8912-8918
Space group: P -1
Cell volume: 2146.7
Cell parameters: 11.4317; 12.324; 15.915; 85.293; 74.338; 84.999;  

COD ID: 4517543
CIF file Formula: - C48 H46 F6 N O2 P2 Pd Sb -
Comments: Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes. ACS omega 5(15) (2020) 8912-8918
Space group: P -1
Cell volume: 2194.8
Cell parameters: 12.1515; 12.242; 16.8588; 86.933; 70.832; 68.328;  

COD ID: 4517544
CIF file Formula: - C14 H8 Br2 -
Comments: Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes. ACS omega 5(15) (2020) 8912-8918
Space group: P n a 21
Cell volume: 1119.7
Cell parameters: 15.6405; 3.9355; 18.191; 90; 90; 90;  

COD ID: 4517548
CIF file Formula: - C44 H40 Cl2 N2 O12 -
Comments: Yang, Dezhi; Cao, Junzi; Jiao, Lingtai; Yang, Shiying; Zhang, Li; Lu, Yang; Du, Guanhua Solubility and Stability Advantages of a New Cocrystal of Berberine Chloride with Fumaric Acid. ACS omega 5(14) (2020) 8283-8292
Space group: P -1
Cell volume: 1921.4
Cell parameters: 7.589; 14.368; 18.561; 72.261; 85.4; 88.99;  

COD ID: 4517549
CIF file Formula: - C12 H14 N2 O -
Comments: Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy Microwave-Assisted <i>N</i>-Allylation/Homoallylation-RCM Approach: Access to Pyrrole-, Pyridine-, or Azepine-Appended (Het)aryl Aminoamides. ACS omega 5(15) (2020) 8515-8522
Space group: P 1 21/c 1
Cell volume: 1074.6
Cell parameters: 5.0909; 18.372; 11.6238; 90; 98.735; 90;  

COD ID: 4517550
CIF file Formula: - C11 H14 N2 O S -
Comments: Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy Microwave-Assisted <i>N</i>-Allylation/Homoallylation-RCM Approach: Access to Pyrrole-, Pyridine-, or Azepine-Appended (Het)aryl Aminoamides. ACS omega 5(15) (2020) 8515-8522
Space group: P 1 21/n 1
Cell volume: 2440.29
Cell parameters: 14.8009; 11.9949; 15.0518; 90; 114.048; 90;  

COD ID: 4517557
CIF file Formula: - H5 Na3 Ni -
Comments: Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>. ACS omega 5(15) (2020) 8730-8743
Space group: P n m a
Cell volume: 416.72
Cell parameters: 10.4131; 7.3711; 5.4291; 90; 90; 90;  

COD ID: 4517558
CIF file Formula: - H5 Na3 Ni -
Comments: Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>. ACS omega 5(15) (2020) 8730-8743
Space group: C m c m
Cell volume: 365.21
Cell parameters: 7.3444; 6.8828; 7.2247; 90; 90; 90;  

COD ID: 4517559
CIF file Formula: - H5 Na3 Ni -
Comments: Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>. ACS omega 5(15) (2020) 8730-8743
Space group: C m c m
Cell volume: 361.02
Cell parameters: 7.3575; 6.7932; 7.2231; 90; 90; 90;  

COD ID: 4517560
CIF file Formula: - H5 Na3 Ni -
Comments: Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>. ACS omega 5(15) (2020) 8730-8743
Space group: F m -3 m
Cell volume: 368.455
Cell parameters: 7.16905; 7.16905; 7.16905; 90; 90; 90;  

COD ID: 4517561
CIF file Formula: - H3 Na Ni -
Comments: Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>. ACS omega 5(15) (2020) 8730-8743
Space group: P m -3 m
Cell volume: 40.4366
Cell parameters: 3.43235; 3.43235; 3.43235; 90; 90; 90;  

COD ID: 4517638
CIF file Formula: - C8 H4 N14 O7 -
Comments: Zhai, Lianjie; Bi, Fuqiang; Zhang, Junlin; Zhang, Jiarong; Li, Xiangzhi; Wang, Bozhou; Chen, Sanping 3,4-Bis(3-tetrazolylfuroxan-4-yl)furoxan: A Linear C-C Bonded Pentaheterocyclic Energetic Material with High Heat of Formation and Superior Performance. ACS omega 5(19) (2020) 11115-11122
Space group: P 21 21 21
Cell volume: 3029
Cell parameters: 5.383; 12.923; 43.54; 90; 90; 90;  

COD ID: 4517647
CIF file Formula: - C25 H22 Cl N3 O2 Ru -
Comments: Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S. Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones. ACS omega 5(19) (2020) 11167-11179
Space group: P 1 21/n 1
Cell volume: 2141
Cell parameters: 15.601; 8.0342; 17.108; 90; 93.21; 90;  

COD ID: 4517648
CIF file Formula: - C25 H22 Cl N3 O Ru -
Comments: Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S. Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones. ACS omega 5(19) (2020) 11167-11179
Space group: P 1 21/n 1
Cell volume: 2113.6
Cell parameters: 15.3365; 8.0892; 17.0781; 90; 93.968; 90;  

COD ID: 4517649
CIF file Formula: - C35.5 H41 Cl3 N4 O2.5 Ru2 -
Comments: Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S. Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones. ACS omega 5(19) (2020) 11167-11179
Space group: C 1 2/c 1
Cell volume: 7145.7
Cell parameters: 34.0106; 12.5712; 20.0181; 90; 123.395; 90;  

COD ID: 4517650
CIF file Formula: - C25.5 H24.5 Cl N4.5 O1.5 Ru -
Comments: Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Sukhikh, Taisiya S.; Gushchin, Artem L.; Ivanov, Alexander Yu; Tennikova, Tatiana B.; Sharoyko, Vladimir V.; Baykov, Sergey V.; Benassi, Enrico; Potapov, Andrei S. Arene-Ruthenium(II) Complexes Containing 11<i>H</i>-Indeno[1,2-<i>b</i>]quinoxalin-11-one Derivatives and Tryptanthrin-6-oxime: Synthesis, Characterization, Cytotoxicity, and Catalytic Transfer Hydrogenation of Aryl Ketones. ACS omega 5(19) (2020) 11167-11179
Space group: P 1 21/c 1
Cell volume: 2237.4
Cell parameters: 18.414; 16.071; 7.6248; 90; 97.453; 90;  

COD ID: 4517654
CIF file Formula: - C28 H26 O2 P2 Se4 -
Comments: Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega 5(20) (2020) 11737-11744
Space group: P 1 21/n 1
Cell volume: 1417.1
Cell parameters: 7.801; 12.152; 15.317; 90; 102.595; 90;  

COD ID: 4517655
CIF file Formula: - C32 H34 Cl4 O4 P2 Se4 -
Comments: Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega 5(20) (2020) 11737-11744
Space group: P -1
Cell volume: 950.7
Cell parameters: 9.3324; 9.3983; 12.8393; 70.724; 88.5; 64.524;  

COD ID: 4517656
CIF file Formula: - C28 H22 O4 P2 Se4 -
Comments: Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega 5(20) (2020) 11737-11744
Space group: P 1 21/n 1
Cell volume: 1427.1
Cell parameters: 7.22; 14.28; 13.986; 90; 98.244; 90;  

COD ID: 4517657
CIF file Formula: - C16 H12 N2 O2 Se -
Comments: Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega 5(20) (2020) 11737-11744
Space group: P -1
Cell volume: 676.9
Cell parameters: 7.495; 7.59; 12.69; 95.836; 96.199; 107.677;  

COD ID: 4517658
CIF file Formula: - C25 H25 Cl2 N2 P Se2 -
Comments: Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega 5(20) (2020) 11737-11744
Space group: P 1 21/n 1
Cell volume: 2566.4
Cell parameters: 9.609; 23.648; 11.5281; 90; 101.559; 90;  

COD ID: 4517659
CIF file Formula: - C23 H21 N2 P Se2 -
Comments: Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega 5(20) (2020) 11737-11744
Space group: P 1 21/n 1
Cell volume: 2155
Cell parameters: 11.336; 9.2316; 20.825; 90; 98.573; 90;  

COD ID: 4517660
CIF file Formula: - C23 H21 N2 P Se2 -
Comments: Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega 5(20) (2020) 11737-11744
Space group: P 1 21/n 1
Cell volume: 2187.8
Cell parameters: 12.7802; 12.2729; 14.4466; 90; 105.094; 90;  

COD ID: 4517661
CIF file Formula: - C24 H25 N2 P Se2 -
Comments: Hua, Guoxiong; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek Novel Five- and Six-Membered Rings of Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases. ACS omega 5(20) (2020) 11737-11744
Space group: P 1 21/n 1
Cell volume: 2283.4
Cell parameters: 14.79; 8.9919; 18.129; 90; 108.719; 90;  

COD ID: 4517739
CIF file Formula: - C15 H16 O10 -
Comments: Hu, Hongchao; Luo, Fan; Wang, Mingjie; Fu, Zhihuan; Shu, Xugang New Method for Extracting and Purifying Dihydromyricetin from <i>Ampelopsis grossedentata</i>. ACS omega 5(23) (2020) 13955-13962
Space group: P 1 21/c 1
Cell volume: 2928.6
Cell parameters: 15.3733; 7.8961; 24.1511; 90; 92.627; 90;  

COD ID: 4517747
CIF file Formula: - C13 H14 N2 O3 -
Comments: Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega 5(23) (2020) 13926-13939
Space group: P 21 21 21
Cell volume: 1186.12
Cell parameters: 9.26094; 9.56903; 13.38456; 90; 90; 90;  

COD ID: 4517748
CIF file Formula: - C11 H7 Cl N2 O5 -
Comments: Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega 5(23) (2020) 13926-13939
Space group: P 21 21 21
Cell volume: 1149.87
Cell parameters: 7.9009; 10.9614; 13.2772; 90; 90; 90;  

COD ID: 4517749
CIF file Formula: - C11 H8 N2 O5 -
Comments: Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega 5(23) (2020) 13926-13939
Space group: P 21 21 21
Cell volume: 1042.63
Cell parameters: 9.6892; 9.8837; 10.8874; 90; 90; 90;  

COD ID: 4517750
CIF file Formula: - C11 H8 N2 O5 -
Comments: Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega 5(23) (2020) 13926-13939
Space group: P 1 21 1
Cell volume: 502.89
Cell parameters: 5.6724; 9.6556; 9.4591; 90; 103.91; 90;  

COD ID: 4517751
CIF file Formula: - C11 H11 N2 O3.5 -
Comments: Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega 5(23) (2020) 13926-13939
Space group: P 32 2 1
Cell volume: 1794.68
Cell parameters: 14.9944; 14.9944; 9.2172; 90; 90; 120;  

COD ID: 4517752
CIF file Formula: - C11 H8 N2 O3 -
Comments: Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega 5(23) (2020) 13926-13939
Space group: P 21 21 21
Cell volume: 958.4
Cell parameters: 4.7466; 12.1979; 16.5531; 90; 90; 90;  

COD ID: 4517753
CIF file Formula: - C13 H14 Cl2 N2 O2 -
Comments: Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega 5(23) (2020) 13926-13939
Space group: P 1
Cell volume: 685.68
Cell parameters: 8.3394; 9.2251; 10.2483; 112.584; 102.063; 99.352;  

COD ID: 4517754
CIF file Formula: - C11 H8 N2 O5 -
Comments: Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega 5(23) (2020) 13926-13939
Space group: P 21 21 21
Cell volume: 2142.57
Cell parameters: 10.0284; 11.8376; 18.0484; 90; 90; 90;  

COD ID: 4517755
CIF file Formula: - C11 H10 N2 O2 -
Comments: Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J. Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development. ACS omega 5(23) (2020) 13926-13939
Space group: P 1 21 1
Cell volume: 1853.87
Cell parameters: 9.90829; 9.74229; 19.67523; 90; 102.549; 90;  

COD ID: 4517765
CIF file Formula: - C23 H20 N2 -
Comments: Adhikary, Saswati; Majumder, Leena; Pakrashy, Sourav; Srinath, Ravuri; Mukherjee, Kaustuv; Mandal, Chitra; Banerji, Biswadip Polysubstituted Imidazoles as LysoTracker Molecules: Their Synthesis via Iodine/H<sub>2</sub>O and Cell-Imaging Studies. ACS omega 5(24) (2020) 14394-14407
Space group: C 1 c 1
Cell volume: 1794.7
Cell parameters: 6.9727; 19.869; 12.956; 90; 91.013; 90;  

COD ID: 4517766
CIF file Formula: - C36 H26 N2 -
Comments: Adhikary, Saswati; Majumder, Leena; Pakrashy, Sourav; Srinath, Ravuri; Mukherjee, Kaustuv; Mandal, Chitra; Banerji, Biswadip Polysubstituted Imidazoles as LysoTracker Molecules: Their Synthesis via Iodine/H<sub>2</sub>O and Cell-Imaging Studies. ACS omega 5(24) (2020) 14394-14407
Space group: P 1 21/c 1
Cell volume: 2521.12
Cell parameters: 9.9474; 14.0292; 18.0762; 90; 91.968; 90;  

COD ID: 4517767
CIF file Formula: - C24 H19 F N2 O4 S -
Comments: Wang, Ning; Yang, Qin; Deng, Zhihong; Mao, Xuechun; Peng, Yiyuan Rhodium-Catalyzed Merging of 2-Arylquinazolinone and 2,2-Difluorovinyl Tosylate: Diverse Synthesis of Monofluoroolefin Quinazolinone Derivatives. ACS omega 5(24) (2020) 14635-14644
Space group: P -1
Cell volume: 1056.71
Cell parameters: 5.8952; 8.3803; 21.5947; 94.192; 91.254; 96.483;  

COD ID: 4517780
CIF file Formula: - C32 H32 Cl4 N12 Ni2 O12 -
Comments: Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S. Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol ACS Omega 5(25) (2020) 14890-14899
Space group: P -1
Cell volume: 2400.6
Cell parameters: 12.4492; 12.9077; 16.7609; 93.584; 93.336; 116.209;  

COD ID: 4517781
CIF file Formula: - C32 H32 N16 O16 Zn2 -
Comments: Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S. Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol ACS Omega 5(25) (2020) 14890-14899
Space group: C 1 2/c 1
Cell volume: 4492.5
Cell parameters: 16.747; 16.263; 16.884; 90; 102.324; 90;  

COD ID: 4517782
CIF file Formula: - C15 H14 N6 O2 -
Comments: Arunachalam, Rajendran; Chinnaraja, Eswaran; Subramanian, Saravanan; Suresh, Eringathodi; Subramanian, Palani S. Catalytic Conversion of Carbon Dioxide Using Binuclear Double-Stranded Helicates: Cyclic Carbonate from Epoxides and Diol ACS Omega 5(25) (2020) 14890-14899
Space group: P 1 21/c 1
Cell volume: 1506.7
Cell parameters: 17.656; 9.054; 9.668; 90; 102.861; 90;  

COD ID: 4517783
CIF file Formula: - C23 H23 N O3 Sn -
Comments: Khan, Huzaifa Yasir; Maurya, Santosh K.; Siddique, Hifzur R.; Yousuf, Shariq; Arjmand, Farukh New Tailored RNA-Targeted Organometallic Drug Candidates against Huh7 (Liver) and Du145 (Prostate) Cancer Cell Lines ACS Omega 5(25) (2020) 15218-15228
Space group: P -1
Cell volume: 1024.16
Cell parameters: 8.6269; 9.0681; 14.8527; 75.02; 86.4; 65.994;  

COD ID: 4517784
CIF file Formula: - C12 H12 N2 -
Comments: Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O. New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity ACS Omega 5(25) (2020) 14942-14954
Space group: P 1 21/n 1
Cell volume: 2002.24
Cell parameters: 9.833; 17.3251; 11.7851; 90; 94.219; 90;  

COD ID: 4517785
CIF file Formula: - C10 H10 N2 S -
Comments: Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O. New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity ACS Omega 5(25) (2020) 14942-14954
Space group: C 1 2/c 1
Cell volume: 1900.51
Cell parameters: 9.6273; 9.7032; 20.4587; 90; 96.053; 90;  

COD ID: 4517786
CIF file Formula: - C14 H18 Cl2 N2 O Pt S -
Comments: Mbugua, Simon N.; Sibuyi, Nicole R. S.; Njenga, Lydia W.; Odhiambo, Ruth A.; Wandiga, Shem O.; Meyer, Mervin; Lalancette, Roger A.; Onani, Martin O. New Palladium(II) and Platinum(II) Complexes Based on Pyrrole Schiff Bases: Synthesis, Characterization, X-ray Structure, and Anticancer Activity ACS Omega 5(25) (2020) 14942-14954
Space group: P 1 21/c 1
Cell volume: 1678.1
Cell parameters: 8.0734; 18.0661; 11.5367; 90; 94.229; 90;  

COD ID: 4517787
CIF file Formula: - C17 H11 N5 O -
Comments: Kvashnin, Yuriy A.; Verbitskiy, Egor V.; Zhilina, Ekaterina F.; Rusinov, Gennady L.; Chupakhin, Oleg N.; Charushin, Valery N. Synthesis of Heteroannulated Indolopyrazines through Domino N‒H Palladium-Catalyzed/Metal-Free Oxidative C‒H Bond Activation ACS Omega 5(25) (2020) 15681-15690
Space group: P 1 21/c 1
Cell volume: 1403.4
Cell parameters: 7.0497; 8.924; 22.361; 90; 93.939; 90;  

COD ID: 4517788
CIF file Formula: - C16 H26 Mn2 N2 O10 -
Comments: Dera, Przemyslaw; Bruffey, Edward; Finkelstein, Gregory J.; Kelly, Colleen; Gigante, Angelina; Hagemann, Hans; Severa, Godwin Synthesis, Characterization, and Crystal Structures of Two New Manganese Aceto EMIM Ionic Compounds with Chains of Mn2+ Ions Coordinated Exclusively by Acetate ACS Omega 5(25) (2020) 15592-15600
Space group: P 1 21/n 1
Cell volume: 2390.7
Cell parameters: 12.269; 9.289; 21.0005; 90; 92.724; 90;  

COD ID: 4517789
CIF file Formula: - C16 H28 Mn2 N2 O11 -
Comments: Dera, Przemyslaw; Bruffey, Edward; Finkelstein, Gregory J.; Kelly, Colleen; Gigante, Angelina; Hagemann, Hans; Severa, Godwin Synthesis, Characterization, and Crystal Structures of Two New Manganese Aceto EMIM Ionic Compounds with Chains of Mn2+ Ions Coordinated Exclusively by Acetate ACS Omega 5(25) (2020) 15592-15600
Space group: P -1
Cell volume: 1186.3
Cell parameters: 9.362; 10.82; 12.659; 70.17; 87.581; 79.631;  

COD ID: 4517833
CIF file Formula: - C15 H21 I N2 O2 -
Comments: Chadeayne, Andrew R.; Pham, Duyen N. K.; Reid, Brian G.; Golen, James A.; Manke, David R. Active Metabolite of Aeruginascin (4-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptamine): Synthesis, Structure, and Serotonergic Binding Affinity. ACS omega 5(27) (2020) 16940-16943
Space group: P 1 21 1
Cell volume: 837.1
Cell parameters: 7.8459; 9.8098; 11.0823; 90; 101.069; 90;  

COD ID: 4517834
CIF file Formula: - C13 H19 I N2 O -
Comments: Chadeayne, Andrew R.; Pham, Duyen N. K.; Reid, Brian G.; Golen, James A.; Manke, David R. Active Metabolite of Aeruginascin (4-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptamine): Synthesis, Structure, and Serotonergic Binding Affinity. ACS omega 5(27) (2020) 16940-16943
Space group: P 1 21/n 1
Cell volume: 1493.4
Cell parameters: 11.3057; 11.237; 12.7785; 90; 113.087; 90;  

COD ID: 4517837
CIF file Formula: - O12 Zn5 -
Comments: Gordeeva, Alisa; Hsu, Ying-Jui; Jenei, Istvan Z.; Brant Carvalho, Paulo H. B.; Simak, Sergei I.; Andersson, Ove; Häussermann, Ulrich Layered Zinc Hydroxide Dihydrate, Zn<sub>5</sub>(OH)<sub>10</sub>·2H<sub>2</sub>O, from Hydrothermal Conversion of ε-Zn(OH)<sub>2</sub> at Gigapascal Pressures and its Transformation to Nanocrystalline ZnO. ACS omega 5(28) (2020) 17617-17627
Space group: C 1 2/c 1
Cell volume: 1033.8
Cell parameters: 15.342; 6.244; 10.989; 90; 100.86; 90;  

COD ID: 4517840
CIF file Formula: - C8 H7 N -
Comments: Pisarek, Joanna; Malinska, Maura Structure and Morphology of Indole Analogue Crystals. ACS omega 5(28) (2020) 17141-17151
Space group: P n a 21
Cell volume: 615.57
Cell parameters: 7.6102; 5.5255; 14.639; 90; 90; 90;  

COD ID: 4517841
CIF file Formula: - C9 H9 N -
Comments: Pisarek, Joanna; Malinska, Maura Structure and Morphology of Indole Analogue Crystals. ACS omega 5(28) (2020) 17141-17151
Space group: P n a 21
Cell volume: 701.99
Cell parameters: 9.3176; 5.2878; 14.2479; 90; 90; 90;  

COD ID: 4517842
CIF file Formula: - C9 H9 N O -
Comments: Pisarek, Joanna; Malinska, Maura Structure and Morphology of Indole Analogue Crystals. ACS omega 5(28) (2020) 17141-17151
Space group: P 1 2/c 1
Cell volume: 1486.16
Cell parameters: 8.6942; 5.3788; 31.905; 90; 95.078; 90;  

COD ID: 4517843
CIF file Formula: - C9 H9 N O -
Comments: Pisarek, Joanna; Malinska, Maura Structure and Morphology of Indole Analogue Crystals. ACS omega 5(28) (2020) 17141-17151
Space group: P c a 21
Cell volume: 2242.2
Cell parameters: 17.5632; 15.4812; 8.2466; 90; 90; 90;  

COD ID: 4517844
CIF file Formula: - C9 H6 N2 -
Comments: Pisarek, Joanna; Malinska, Maura Structure and Morphology of Indole Analogue Crystals. ACS omega 5(28) (2020) 17141-17151
Space group: P 21 21 21
Cell volume: 705.54
Cell parameters: 3.87758; 7.6453; 23.7995; 90; 90; 90;  

COD ID: 4517845
CIF file Formula: - C8 H6 N2 O2 -
Comments: Pisarek, Joanna; Malinska, Maura Structure and Morphology of Indole Analogue Crystals. ACS omega 5(28) (2020) 17141-17151
Space group: P 1 21/c 1
Cell volume: 716.7
Cell parameters: 3.75839; 12.0667; 15.8045; 90; 90.73; 90;  

COD ID: 4517846
CIF file Formula: - C8 H8 N2 -
Comments: Pisarek, Joanna; Malinska, Maura Structure and Morphology of Indole Analogue Crystals. ACS omega 5(28) (2020) 17141-17151
Space group: P n a 21
Cell volume: 657.02
Cell parameters: 8.452; 10.5415; 7.3742; 90; 90; 90;  

COD ID: 4517847
CIF file Formula: - C12 H12 N2 O2 S -
Comments: Tighadouini, Said; Radi, Smaail; El Massaoudi, Mohamed; Lakbaibi, Zouhair; Ferbinteanu, Marilena; Garcia, Yann Efficient and Environmentally Friendly Adsorbent Based on β-Ketoenol-Pyrazole-Thiophene for Heavy-Metal Ion Removal from Aquatic Medium: A Combined Experimental and Theoretical Study. ACS omega 5(28) (2020) 17324-17336
Space group: P 21 21 21
Cell volume: 1222
Cell parameters: 4.163; 14.96; 19.62; 90; 90; 90;  

COD ID: 4517855
CIF file Formula: - C19 H16 N2 O4 -
Comments: Saha, Urmila; Das, Bhriguram; Dolai, Malay; Butcher, Ray J.; Suresh Kumar, Gopinatha Adaptable DNA-Interactive Probe Proficient at Selective Turn-On Sensing for Al3+: Insight from the Crystal Structure, Photophysical Studies, and Molecular Logic Gate ACS Omega 5(29) (2020) 18411-18423
Space group: P n a 21
Cell volume: 1550.54
Cell parameters: 6.3075; 19.6917; 12.4837; 90; 90; 90;  

COD ID: 4517888
CIF file Formula: - C13 H30 N12 O8 -
Comments: Cai, He; Zhang, Xingwang; Lei, Lecheng; Xiao, Chengliang Direct CO<sub>2</sub> Capture from Air via Crystallization with a Trichelating Iminoguanidine Ligand. ACS omega 5(32) (2020) 20428-20437
Space group: P -1
Cell volume: 1138.52
Cell parameters: 8.1746; 11.1625; 13.359; 106.939; 98.293; 96.435;  

COD ID: 4517892
CIF file Formula: - C35 H34 N2 O7 -
Comments: Nariyangadu, Sesha Bamini; Choedak, Tenzin; Malar, Ezekiel Joy Padma; Chen, Junsheng; Thyrhaug, Erling; Kumar, Pushpendra; Zhou, Jinming; Yechuri, Vidyalakshmi; Pal, Suman Kalyan; Lidin, Sven; Thangadhorai, Kejalakshmy Namassivayane; Karki, Khadga J.; Pullerits, Tönu New Nonlinear Optical Crystal of Rhodamine 590 Acid Phthalate. ACS omega 5(33) (2020) 20863-20873
Space group: P 1 21/n 1
Cell volume: 3012.3
Cell parameters: 10.7289; 11.1254; 25.2451; 90; 91.502; 90;  

COD ID: 4517896
CIF file Formula: - C20 H16 N4 O4 -
Comments: Oka, Yoshimi Cesium Cation Complexation by a Flavin Receptor via Self-Assembly and Deprotonation. ACS omega 5(33) (2020) 21226-21230
Space group: P -1
Cell volume: 865.56
Cell parameters: 7.9811; 10.8039; 11.8435; 68.2887; 81.0025; 65.8247;  

COD ID: 4517897
CIF file Formula: - C42 H50 N6 Ni2 O10 -
Comments: Kumar, Sandeep; Khullar, Sadhika; Mandal, Sanjay K. Steric Effect of a Capping Ligand on the Formation of Supramolecular Coordination Networks of Ni(II): Solid-State Entrapment of Cyclic Water Dimer ACS Omega 5(34) (2020) 21873-21882
Space group: P 1 21/n 1
Cell volume: 2030.6
Cell parameters: 10.1941; 15.966; 12.8443; 90; 103.751; 90;  

COD ID: 4517898
CIF file Formula: - C22 H29 N3 Ni O6 -
Comments: Kumar, Sandeep; Khullar, Sadhika; Mandal, Sanjay K. Steric Effect of a Capping Ligand on the Formation of Supramolecular Coordination Networks of Ni(II): Solid-State Entrapment of Cyclic Water Dimer ACS Omega 5(34) (2020) 21873-21882
Space group: P 1 21/n 1
Cell volume: 2223.8
Cell parameters: 10.2641; 16.8498; 13.0024; 90; 98.545; 90;  

COD ID: 4517899
CIF file Formula: - C2 H2 O6 Zr -
Comments: Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4). ACS omega 5(33) (2020) 21260-21270
Space group: C 1 2/c 1
Cell volume: 445.9
Cell parameters: 12.813; 5.8882; 6.7088; 90; 118.25; 90;  

COD ID: 4517900
CIF file Formula: - C10 H30 O34 Zr2 -
Comments: Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4). ACS omega 5(33) (2020) 21260-21270
Space group: P -1
Cell volume: 752.56
Cell parameters: 6.9269; 10.4427; 10.6447; 78.421; 86.155; 89.945;  

COD ID: 4517901
CIF file Formula: - C6 H4 Na2 O14 Zr -
Comments: Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4). ACS omega 5(33) (2020) 21260-21270
Space group: C 1 2/c 1
Cell volume: 1284
Cell parameters: 13.8646; 10.4241; 8.929; 90; 95.743; 90;  

COD ID: 4517902
CIF file Formula: - C6 H9 K O16 Zr -
Comments: Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4). ACS omega 5(33) (2020) 21260-21270
Space group: P 1 21/c 1
Cell volume: 1382
Cell parameters: 9.2166; 11.169; 14.094; 90; 107.718; 90;  

COD ID: 4517903
CIF file Formula: - C6 H13 N O16 Zr -
Comments: Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4). ACS omega 5(33) (2020) 21260-21270
Space group: P 1 21/c 1
Cell volume: 1416.85
Cell parameters: 9.3411; 11.1701; 14.2537; 90; 107.699; 90;  

COD ID: 4517904
CIF file Formula: - C6 H7 O15 Rb Zr -
Comments: Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4). ACS omega 5(33) (2020) 21260-21270
Space group: P -1
Cell volume: 678.7
Cell parameters: 7.7027; 8.9788; 10.6518; 79.179; 72.476; 76.975;  

COD ID: 4517905
CIF file Formula: - C6 H7 Cs O15 Zr -
Comments: Thomas, Rudy; Devaux, Philippe; Rivenet, Murielle; Henry, Natacha; Abraham, Francis Zirconium Oxalates: Zr(OH)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>), (H<sub>11</sub>O<sub>5</sub>)<sub>2</sub>[Zr<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>5</sub>(H<sub>2</sub>O)<sub>4</sub>], and MM'[Zr(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·<i>x</i>H<sub>2</sub>O with M and M' = Ammonium, Alkali Metal, and Hydroxonium Ion H<sub>2<i>n</i>+1</sub>O <sub> <i>n</i> </sub><sup>+</sup> (<i>n</i> = 2, 3, 4). ACS omega 5(33) (2020) 21260-21270
Space group: P -1
Cell volume: 696.41
Cell parameters: 7.7318; 9.1847; 10.6352; 78.861; 72.333; 77.713;  

COD ID: 4517958
CIF file Formula: - C19 H16 F3 N O4 -
Comments: Adamovskyi, Mykhailo I.; Avramenko, Mykola M.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V. Fluoral Hydrate: A Perspective Substrate for the Castagnoli-Cushman Reaction. ACS omega 5(33) (2020) 20932-20942
Space group: P -1
Cell volume: 859.9
Cell parameters: 7.213; 9.427; 13.291; 73.712; 82.58; 86.521;  

COD ID: 4517959
CIF file Formula: - C20 H18 F3 N O4 -
Comments: Adamovskyi, Mykhailo I.; Avramenko, Mykola M.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V. Fluoral Hydrate: A Perspective Substrate for the Castagnoli-Cushman Reaction. ACS omega 5(33) (2020) 20932-20942
Space group: P 1 21 1
Cell volume: 896.3
Cell parameters: 10.547; 9.089; 10.569; 90; 117.789; 90;  

COD ID: 4517968
CIF file Formula: - C27 H23 Cl2 N3 O2 -
Comments: Lai, Xiangfeng; Che, Chao Synthesis of Chromeno[4,3-b]pyrrol-4(1H)-ones through a Multicomponent Reaction and Cyclization Strategy ACS Omega 5(34) (2020) 21968-21977
Space group: P 1 21/c 1
Cell volume: 4834.15
Cell parameters: 11.1225; 15.3457; 28.5934; 90; 97.894; 90;  

COD ID: 4518025
CIF file Formula: - C46 H46 O6 P2 -
Comments: Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures. ACS omega 5(37) (2020) 23621-23630
Space group: P 1 21/c 1
Cell volume: 1972.8
Cell parameters: 11.8617; 14.6759; 11.3999; 90; 96.235; 90;  

COD ID: 4518026
CIF file Formula: - C60 H74 O6 P2 -
Comments: Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures. ACS omega 5(37) (2020) 23621-23630
Space group: P -1
Cell volume: 1341.83
Cell parameters: 6.07681; 12.5823; 18.8446; 70.567; 81.108; 85.4235;  

COD ID: 4518027
CIF file Formula: - C22 H20 Cl3 O3 P -
Comments: Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures. ACS omega 5(37) (2020) 23621-23630
Space group: P -1
Cell volume: 5369.2
Cell parameters: 11.0373; 20.9634; 24.3544; 76.4018; 81.4278; 80.7315;  

COD ID: 4518028
CIF file Formula: - C48 H50 O6 P2 -
Comments: Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures. ACS omega 5(37) (2020) 23621-23630
Space group: P -1
Cell volume: 2103.86
Cell parameters: 11.6696; 12.2099; 16.0856; 78.793; 71.385; 77.94;  

COD ID: 4518029
CIF file Formula: - C53 H54 O6 P2 -
Comments: Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures. ACS omega 5(37) (2020) 23621-23630
Space group: P 1 21/n 1
Cell volume: 4499.96
Cell parameters: 14.58208; 14.63153; 21.2423; 90; 96.8405; 90;  

COD ID: 4518030
CIF file Formula: - C44 H42 O6 P2 -
Comments: Katagiri, Kosuke; Ohara, Masahiro; Ikehara, Masahiro; Higashimura, Ikkei; Isono, Koshiro Oxaphosphacyclophanes Constructed from a Bis(triphenylphosphine oxide) Moiety Linked by Dioxyalkyl Chains: Synthesis and Crystal Structures. ACS omega 5(37) (2020) 23621-23630
Space group: P 1 21/c 1
Cell volume: 3632.4
Cell parameters: 23.019; 9.024; 17.562; 90; 95.31; 90;  

COD ID: 4518031
CIF file Formula: - C34 H38 Cl2 N2 O Pd S -
Comments: Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C. Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction. ACS omega 5(37) (2020) 24018-24032
Space group: P 1 21/n 1
Cell volume: 6598
Cell parameters: 19.383; 20.236; 19.392; 90; 119.84; 90;  

COD ID: 4518032
CIF file Formula: - C32 H36 Cl2 N4 Ni -
Comments: Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C. Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction. ACS omega 5(37) (2020) 24018-24032
Space group: P 1 21/c 1
Cell volume: 1457
Cell parameters: 12.73; 14.003; 8.513; 90; 106.232; 90;  

COD ID: 4518033
CIF file Formula: - C39.72 H58.29 Cl4 N4 Ni2 O3.43 -
Comments: Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C. Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction. ACS omega 5(37) (2020) 24018-24032
Space group: I 41/a :2
Cell volume: 10821
Cell parameters: 24.275; 24.275; 18.364; 90; 90; 90;  

COD ID: 4518034
CIF file Formula: - C16 H18 Cl2 N2 Pd -
Comments: Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C. Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction. ACS omega 5(37) (2020) 24018-24032
Space group: P -1
Cell volume: 808.3
Cell parameters: 8.623; 9.493; 11.552; 112.209; 107.067; 96.813;  

COD ID: 4518035
CIF file Formula: - C19 H19 N O -
Comments: Das Adhikari, Gopal Krushna; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu Regio- and Stereoselective Synthesis of the Core Structure of Hexahydrobenzo[<i>c</i>]phenanthridine Alkaloids via Redox-Neutral Cp*Rh(III)-Catalyzed C-H/N-H Annulation of Cyclic Alkenes with Benzamides. ACS omega 5(37) (2020) 24033-24044
Space group: P -1
Cell volume: 751.36
Cell parameters: 9.1117; 9.1126; 9.5279; 73.971; 81.252; 86.515;  

COD ID: 4518036
CIF file Formula: - C17 H15 N O -
Comments: Das Adhikari, Gopal Krushna; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu Regio- and Stereoselective Synthesis of the Core Structure of Hexahydrobenzo[<i>c</i>]phenanthridine Alkaloids via Redox-Neutral Cp*Rh(III)-Catalyzed C-H/N-H Annulation of Cyclic Alkenes with Benzamides. ACS omega 5(37) (2020) 24033-24044
Space group: P -1
Cell volume: 1331.73
Cell parameters: 9.364; 12.4629; 12.6747; 105.516; 102.852; 102.045;  

COD ID: 4518045
CIF file Formula: - C12 H16 N2 O5 S -
Comments: Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside ACS Omega 5(38) (2020) 24746-24753
Space group: P 1
Cell volume: 660.45
Cell parameters: 5.6074; 10.999; 11.5162; 70.359; 87.896; 80.916;  

COD ID: 4518046
CIF file Formula: - C13 H17 Cl3 N2 O6 -
Comments: Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside ACS Omega 5(38) (2020) 24746-24753
Space group: C 1 2 1
Cell volume: 1701.73
Cell parameters: 16.6577; 9.0916; 11.5007; 90; 102.302; 90;  

COD ID: 4518047
CIF file Formula: - C13 H19 Cl2 N3 O5 -
Comments: Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside ACS Omega 5(38) (2020) 24746-24753
Space group: P 21 21 21
Cell volume: 1665.66
Cell parameters: 7.0716; 14.82; 15.8935; 90; 90; 90;  

COD ID: 4518063
CIF file Formula: - C19 H23 Br2 N3 O4 -
Comments: Roberts, John M.; Belowich, Matthew E.; Peterson, Thomas H.; Bellinger, Edward; Syverud, Karin; Laitar, David S.; Sidle, Tobias Homoconjugated Acids as Low Cyclosiloxane-Producing Silanol Polycondensation Catalysts ACS Omega 5(38) (2020) 24954-24963
Space group: C 1 2/c 1
Cell volume: 2137.3
Cell parameters: 9.7284; 10.1848; 21.6633; 90; 95.2937; 90;  

COD ID: 4518104
CIF file Formula: - C25 H33 N3 O5 -
Comments: Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K. Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid. ACS omega 5(40) (2020) 26141-26152
Space group: P 61
Cell volume: 3816.4
Cell parameters: 13.8479; 13.8479; 22.9802; 90; 90; 120;  

COD ID: 4518105
CIF file Formula: - C10 H10 N2 O2 -
Comments: Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K. Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid. ACS omega 5(40) (2020) 26141-26152
Space group: P 1 21/c 1
Cell volume: 891.67
Cell parameters: 9.7164; 12.392; 7.6809; 90; 105.389; 90;  

COD ID: 4518106
CIF file Formula: - C31 H42 N4 O7 -
Comments: Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K. Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid. ACS omega 5(40) (2020) 26141-26152
Space group: P 21 21 21
Cell volume: 3380.49
Cell parameters: 11.5951; 15.3645; 18.9752; 90; 90; 90;  

COD ID: 4518107
CIF file Formula: - C18 H24 N3 O6 -
Comments: Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K. Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid. ACS omega 5(40) (2020) 26141-26152
Space group: C 1 2/c 1
Cell volume: 4169
Cell parameters: 26.555; 6.0271; 28.976; 90; 115.99; 90;  

COD ID: 4518116
CIF file Formula: - C28 H30 N2 O6 -
Comments: Li, Long; Yin, Xian-Hong; Diao, Kai-Sheng Improving the Solubility and Bioavailability of Pemafibrate via a New Polymorph Form II. ACS omega 5(40) (2020) 26245-26252
Space group: P 1 21 1
Cell volume: 1260.63
Cell parameters: 11.6007; 5.3802; 20.9518; 90; 105.418; 90;  

COD ID: 4518126
CIF file Formula: - C55 H74 Cu2 F6 N8 O16 S2 -
Comments: La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates. ACS omega 5(41) (2020) 26573-26582
Space group: P 1 21/c 1
Cell volume: 6072.4
Cell parameters: 18.4812; 20.0663; 16.503; 90; 97.1637; 90;  

COD ID: 4518127
CIF file Formula: - C54 H67 Cu2 F6 N8 O14 S2 -
Comments: La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates. ACS omega 5(41) (2020) 26573-26582
Space group: P -1
Cell volume: 2933.8
Cell parameters: 10.2103; 17.798; 17.8614; 66.3506; 86.0444; 80.6582;  

COD ID: 4518128
CIF file Formula: - C55 H74 Cu2 F6 N8 O14 S2 -
Comments: La Cognata, Sonia; Mobili, Riccardo; Merlo, Francesca; Speltini, Andrea; Boiocchi, Massimo; Recca, Teresa; Maher, 3rd, Louis J; Amendola, Valeria Sensing and Liquid-Liquid Extraction of Dicarboxylates Using Dicopper Cryptates. ACS omega 5(41) (2020) 26573-26582
Space group: P 1 21/c 1
Cell volume: 6085.5
Cell parameters: 18.6107; 20.1138; 16.3528; 90; 96.202; 90;  

COD ID: 4518131
CIF file Formula: - C42 H32 N2 Pt S2 -
Comments: Anderson, Craig M.; Coffey, Belle; Morales, Leslie; Greenberg, Matthew W.; Norman, Matthew; Weinstein, Michael; Brown, Garrett; Tanski, Joseph M. Platinum Complexes from C-H Activation of Sterically Hindered [C^N] Donor Benzothiophene Imine Ligands: Synthesis and Photophysical Properties. ACS omega 5(41) (2020) 26855-26863
Space group: P 1
Cell volume: 1641.53
Cell parameters: 9.9179; 11.9722; 13.8685; 93.109; 92.712; 91.78;  

COD ID: 4518135
CIF file Formula: - C36 H28 N2 O2 -
Comments: Al-Resayes, Saud I; Azam, Mohammad; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal; Soliman, Saied M.; Mohapatra, Ranjan K.; Khan, Zahid Structural and Theoretical Investigations, Hirshfeld Surface Analyses, and Cytotoxicity of a Naphthalene-Based Chiral Compound. ACS omega 5(42) (2020) 27227-27234
Space group: C 1 2 1
Cell volume: 1341.95
Cell parameters: 20.829; 6.8342; 10.208; 90; 112.556; 90;  

COD ID: 4518136
CIF file Formula: - C18 H15 N5 O2 S -
Comments: Shyamsivappan, Selvaraj; Saravanan, Arjunan; Vandana, Nandakumar; Suresh, Thangaraj; Suresh, Shanmugam; Nandhakumar, Raju; Mohan, Palathurai Subramaniam Novel Quinoline-Based Thiazole Derivatives for Selective Detection of Fe<sup>3+</sup>, Fe<sup>2+</sup>, and Cu<sup>2+</sup> Ions. ACS omega 5(42) (2020) 27245-27253
Space group: P 1 21/c 1
Cell volume: 1643.3
Cell parameters: 12.8882; 16.8832; 7.8668; 90; 106.261; 90;  

COD ID: 4518137
CIF file Formula: - C16 H13 N5 O2 S -
Comments: Shyamsivappan, Selvaraj; Saravanan, Arjunan; Vandana, Nandakumar; Suresh, Thangaraj; Suresh, Shanmugam; Nandhakumar, Raju; Mohan, Palathurai Subramaniam Novel Quinoline-Based Thiazole Derivatives for Selective Detection of Fe<sup>3+</sup>, Fe<sup>2+</sup>, and Cu<sup>2+</sup> Ions. ACS omega 5(42) (2020) 27245-27253
Space group: P 1 21/n 1
Cell volume: 1529.9
Cell parameters: 13.888; 4.7349; 23.274; 90; 91.509; 90;  

COD ID: 4518149
CIF file Formula: - C48 H54 Cl4 F12 N O2 P2 Rh S Sb2 -
Comments: Méndez, Isabel; Ferrer, Carlos; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel Catalytic Enantioselective Alkylation of Indoles with trans-4-Methylthio-β-Nitrostyrene ACS Omega 5(43) (2020) 27978-27989
Space group: P 1 21 1
Cell volume: 5548.1
Cell parameters: 10.9772; 46.096; 10.9795; 90; 93.001; 90;  

COD ID: 4518150
CIF file Formula: - C47.5 H55 Cl3 F12 Ir N O3 P2 S Sb2 -
Comments: Méndez, Isabel; Ferrer, Carlos; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel Catalytic Enantioselective Alkylation of Indoles with trans-4-Methylthio-β-Nitrostyrene ACS Omega 5(43) (2020) 27978-27989
Space group: P 1 21 1
Cell volume: 5538
Cell parameters: 10.976; 46; 10.984; 90; 93.038; 90;  

COD ID: 4518166
CIF file Formula: - C9 H15 N3 O6 S -
Comments: Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives ACS Omega 5(43) (2020) 27756-27765
Space group: P -1
Cell volume: 624.01
Cell parameters: 5.6564; 10.7717; 11.2333; 67.751; 80.44; 83.967;  

COD ID: 4518167
CIF file Formula: - C9 H9 N Na O7 P S -
Comments: Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives ACS Omega 5(43) (2020) 27756-27765
Space group: P -1
Cell volume: 633.64
Cell parameters: 6.2307; 9.0432; 11.7429; 97.642; 93.975; 103.694;  

COD ID: 4518168
CIF file Formula: - C9 H8 N O5.5 S -
Comments: Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives ACS Omega 5(43) (2020) 27756-27765
Space group: P 1 21 1
Cell volume: 1046.2
Cell parameters: 6.2294; 9.8153; 17.133; 90; 92.88; 90;  

COD ID: 4518169
CIF file Formula: - C14 H16 N2 O6 S -
Comments: Yahia, Hamdi Ben; Sabri, Souhir; Essehli, Rachid; Kasak, Peter; Drogosz-Stachowicz, Joanna; Janecka, Anna; El Bali, Brahim Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives ACS Omega 5(43) (2020) 27756-27765
Space group: P 1 21/c 1
Cell volume: 1556.44
Cell parameters: 14.784; 6.8291; 16.075; 90; 106.46; 90;  

COD ID: 4518196
CIF file Formula: - C34 H29 N O2 S -
Comments: Aratikatla, Eswar K.; Kalamuddin, Md; Malhotra, Pawan; Mohmmed, Asif; Bhattacharya, Asish K. Enantioselective Synthesis of γ-Phenyl-γ-amino Vinyl Phosphonates and Sulfones and Their Application to the Synthesis of Novel Highly Potent Antimalarials. ACS omega 5(45) (2020) 29025-29037
Space group: P 21 21 2
Cell volume: 5359.1
Cell parameters: 16.3426; 32.7061; 10.0263; 90; 90; 90;  

COD ID: 4518204
CIF file Formula: - C28 H32 N6 O9.26 -
Comments: Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm. ACS omega 5(45) (2020) 29601-29608
Space group: P 1 21/c 1
Cell volume: 2855.16
Cell parameters: 8.8241; 15.4498; 20.9753; 90; 93.185; 90;  

COD ID: 4518205
CIF file Formula: - C44.5 H67 Cl2 N7 O8 -
Comments: Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm. ACS omega 5(45) (2020) 29601-29608
Space group: P -1
Cell volume: 4753.8
Cell parameters: 15.6616; 16.0618; 20.4891; 102.644; 104.632; 98.413;  

COD ID: 4518206
CIF file Formula: - C50 H65 N12 O17 -
Comments: Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm. ACS omega 5(45) (2020) 29601-29608
Space group: P 1 21/c 1
Cell volume: 2650.65
Cell parameters: 8.5352; 20.3585; 15.2562; 90; 90.899; 90;  

COD ID: 4518207
CIF file Formula: - C268 H330 N54 O69.6 -
Comments: Dąbrowa, Kajetan; Niedbała, Patryk; Pawlak, Marcin; Lindner, Marcin; Ignacak, Wiktor; Jurczak, Janusz Tuning Anion-Binding Properties of 22-Membered Unclosed Cryptands by Structural Modification of the Lariat Arm. ACS omega 5(45) (2020) 29601-29608
Space group: P c a 21
Cell volume: 7084.1
Cell parameters: 13.5574; 17.7049; 29.5129; 90; 90; 90;  

COD ID: 4518208
CIF file Formula: - C10 H10 Br4 Hg N2 -
Comments: Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides. ACS omega 5(45) (2020) 29357-29372
Space group: P 1 21/c 1
Cell volume: 1484.36
Cell parameters: 8.464; 14.0128; 12.6748; 90; 99.102; 90;  

COD ID: 4518209
CIF file Formula: - C24 H18 Hg I4 N4 -
Comments: Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides. ACS omega 5(45) (2020) 29357-29372
Space group: P 1 2/m 1
Cell volume: 1538.8
Cell parameters: 8.991; 19.04; 9.004; 90; 93.322; 90;  

COD ID: 4518210
CIF file Formula: - C10 H10 Hg I4 N2 -
Comments: Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides. ACS omega 5(45) (2020) 29357-29372
Space group: P 1 21/c 1
Cell volume: 1705.33
Cell parameters: 7.8704; 15.6908; 13.8093; 90; 90.282; 90;  

COD ID: 4518211
CIF file Formula: - C20 H18 Cl6 Hg2 N4 -
Comments: Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides. ACS omega 5(45) (2020) 29357-29372
Space group: P 1 21/c 1
Cell volume: 2480.3
Cell parameters: 7.4413; 21.6102; 15.4817; 90; 94.962; 90;  

COD ID: 4518212
CIF file Formula: - C24 H20 Cl4 Hg N4 O -
Comments: Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides. ACS omega 5(45) (2020) 29357-29372
Space group: P 1 21/c 1
Cell volume: 2427
Cell parameters: 16.3186; 10.696; 14.6085; 90; 107.856; 90;  

COD ID: 4518213
CIF file Formula: - C24 H18 Br4 Hg N4 -
Comments: Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides. ACS omega 5(45) (2020) 29357-29372
Space group: P -1
Cell volume: 1216.59
Cell parameters: 7.816; 9.0601; 18.787; 86.438; 86.462; 66.489;  

COD ID: 4518217
CIF file Formula: - C18 H46 Cl2 P4 Pd2 -
Comments: Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands. ACS omega 5(46) (2020) 29706-29713
Space group: P 1 21/n 1
Cell volume: 1405.54
Cell parameters: 9.9064; 10.7737; 13.562; 90; 103.821; 90;  

COD ID: 4518218
CIF file Formula: - C12 H30 N12 P2 Pd2 -
Comments: Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands. ACS omega 5(46) (2020) 29706-29713
Space group: P 1 21/c 1
Cell volume: 1121.28
Cell parameters: 6.9572; 11.9501; 13.6334; 90; 98.412; 90;  

COD ID: 4518219
CIF file Formula: - C16 H22 Cl4 P2 Pd2 -
Comments: Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands. ACS omega 5(46) (2020) 29706-29713
Space group: P 1 21/n 1
Cell volume: 1074.5
Cell parameters: 7.7922; 11.736; 12.1887; 90; 105.424; 90;  

COD ID: 4518220
CIF file Formula: - C20 H32 Cl O P3 Pd -
Comments: Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands. ACS omega 5(46) (2020) 29706-29713
Space group: P 21 21 21
Cell volume: 2310.34
Cell parameters: 9.5404; 11.4408; 21.1667; 90; 90; 90;  

COD ID: 4518221
CIF file Formula: - C46 H60 N24 P4 Pd4 -
Comments: Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands. ACS omega 5(46) (2020) 29706-29713
Space group: P n a 21
Cell volume: 12062.2
Cell parameters: 23.5646; 13.3084; 38.4626; 90; 90; 90;  

COD ID: 4518222
CIF file Formula: - C30 H62 Cl2 P4 Pd2 -
Comments: Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands. ACS omega 5(46) (2020) 29706-29713
Space group: P -1
Cell volume: 1870.22
Cell parameters: 9.986; 11.4915; 17.4719; 78.881; 86.644; 71.922;  

COD ID: 4518223
CIF file Formula: - C26 H23 N3 O3 S -
Comments: Basri, Rabia; Khalid, Muhammad; Shafiq, Zahid; Tahir, Muhammad Suleman; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam; Braga, Ataualpa Albert Carmo Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV-Vis) Characterization, and Quantum Chemical Analysis. ACS omega 5(46) (2020) 30176-30188
Space group: P -1
Cell volume: 1172.1
Cell parameters: 8.2958; 11.681; 12.753; 88.841; 89.295; 71.562;  

COD ID: 4518224
CIF file Formula: - C24 H25 N3 O3 S -
Comments: Basri, Rabia; Khalid, Muhammad; Shafiq, Zahid; Tahir, Muhammad Suleman; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam; Braga, Ataualpa Albert Carmo Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV-Vis) Characterization, and Quantum Chemical Analysis. ACS omega 5(46) (2020) 30176-30188
Space group: P b c n
Cell volume: 8856.3
Cell parameters: 17.8975; 11.9162; 41.526; 90; 90; 90;  

COD ID: 4518227
CIF file Formula: - C46 H54 Ca2 O36 -
Comments: Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer ACS Omega 5(46) (2020) 29714-29721
Space group: P 1 21/n 1
Cell volume: 2596.61
Cell parameters: 7.0293; 29.2917; 12.7862; 90; 99.495; 90;  

COD ID: 4518228
CIF file Formula: - C46 H53.62 O35 Zn2 -
Comments: Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer ACS Omega 5(46) (2020) 29714-29721
Space group: C 1 2/c 1
Cell volume: 5094.75
Cell parameters: 31.90641; 6.99799; 22.92769; 90; 95.6148; 90;  

COD ID: 4518229
CIF file Formula: - C23 H26 Mg O17 -
Comments: Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer ACS Omega 5(46) (2020) 29714-29721
Space group: P -1
Cell volume: 1239.64
Cell parameters: 7.3421; 10.3741; 16.8517; 100.899; 98.916; 93.556;  

COD ID: 4518230
CIF file Formula: - C72 H60 Cu4 I4 P4 -
Comments: Castillo, Juan-Carlos; Bravo, Nestor-Fabian; Tamayo, Lenka-Victoria; Mestizo, Paula-Daniela; Hurtado, John; Macías, Mario; Portilla, Jaime Water-Compatible Synthesis of 1,2,3-Triazoles under Ultrasonic Conditions by a Cu(I) Complex-Mediated Click Reaction. ACS omega 5(46) (2020) 30148-30159
Space group: I 1 2/c 1
Cell volume: 7586.2
Cell parameters: 18.3661; 16.0719; 27.117; 90; 108.602; 90;  

COD ID: 4518231
CIF file Formula: - C29 H31 Cu I N4 P -
Comments: Castillo, Juan-Carlos; Bravo, Nestor-Fabian; Tamayo, Lenka-Victoria; Mestizo, Paula-Daniela; Hurtado, John; Macías, Mario; Portilla, Jaime Water-Compatible Synthesis of 1,2,3-Triazoles under Ultrasonic Conditions by a Cu(I) Complex-Mediated Click Reaction. ACS omega 5(46) (2020) 30148-30159
Space group: P -1
Cell volume: 2878.4
Cell parameters: 10.7747; 15.4475; 19.6421; 109.743; 99.759; 103.575;  

COD ID: 4518234
CIF file Formula: - C50 H104 F33 N16 O18 P3 Pd2 Pt4 Rh2 -
Comments: Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion ACS Omega 5(47) (2020) 30502-30518
Space group: P -1
Cell volume: 5057
Cell parameters: 13.872; 18.09; 20.222; 88.162; 85.843; 88.603;  

COD ID: 4518235
CIF file Formula: - C36 H84 F18 N8 O8 P3 Pd Pt2 -
Comments: Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion ACS Omega 5(47) (2020) 30502-30518
Space group: C 1 2/c 1
Cell volume: 6205
Cell parameters: 30.731; 11.615; 22.369; 90; 128.996; 90;  

COD ID: 4518236
CIF file Formula: - C28 H64 F12 N8 O12 P2 Pd Pt2 Rh2 -
Comments: Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion ACS Omega 5(47) (2020) 30502-30518
Space group: P 1 21/n 1
Cell volume: 2660.7
Cell parameters: 13.336; 14.243; 14.118; 90; 97.164; 90;  

COD ID: 4518237
CIF file Formula: - C36 H88 F12 N8 O10 P2 Pd Pt2 -
Comments: Uemura, Kazuhiro; Ito, Daiki; Pirillo, Jenny; Hijikata, Yuh; Saeki, Akinori Modulation of Band Gaps toward Varying Conductivities in Heterometallic One-Dimensional Chains by Ligand Alteration and Third Metal Insertion ACS Omega 5(47) (2020) 30502-30518
Space group: P 1 21/n 1
Cell volume: 3044.8
Cell parameters: 11.331; 22.019; 12.253; 90; 95.145; 90;  

COD ID: 4518279
CIF file Formula: - Ag9.02 O118.9 Si54 -
Comments: Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega 5(49) (2020) 31774-31783
Space group: R -3 m :H
Cell volume: 3503.5
Cell parameters: 13.2511; 13.2511; 23.039; 90; 90; 120;  

COD ID: 4518280
CIF file Formula: - Ag7.75 O108 Si54 -
Comments: Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega 5(49) (2020) 31774-31783
Space group: R 3 m :H
Cell volume: 3417.6
Cell parameters: 12.912; 12.912; 23.67; 90; 90; 120;  

COD ID: 4518281
CIF file Formula: - Ag9.54 O108.74 Si54 -
Comments: Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega 5(49) (2020) 31774-31783
Space group: R 3 m :H
Cell volume: 3432.3
Cell parameters: 12.9559; 12.9559; 23.611; 90; 90; 120;  

COD ID: 4518282
CIF file Formula: - Ag13.82 O121.24 Si54 -
Comments: Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega 5(49) (2020) 31774-31783
Space group: R 3 m :H
Cell volume: 3513.69
Cell parameters: 13.2131; 13.2131; 23.2393; 90; 90; 120;  

COD ID: 4518283
CIF file Formula: - Ag3.41 O46.34 Si18 -
Comments: Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega 5(49) (2020) 31774-31783
Space group: R -3 m :H
Cell volume: 3501.7
Cell parameters: 13.3661; 13.3661; 22.6328; 90; 90; 120;  

COD ID: 4518284
CIF file Formula: - Ag7.8 O108 Si54 -
Comments: Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega 5(49) (2020) 31774-31783
Space group: R 3 m :H
Cell volume: 3429.8
Cell parameters: 12.943; 12.943; 23.641; 90; 90; 120;  

COD ID: 4518285
CIF file Formula: - Ag7.98 O108 Si54 -
Comments: Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega 5(49) (2020) 31774-31783
Space group: R 3 m :H
Cell volume: 3433.5
Cell parameters: 12.955; 12.955; 23.623; 90; 90; 120;  

COD ID: 4518286
CIF file Formula: - Ag11.41 O112.23 Si54 -
Comments: Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega 5(49) (2020) 31774-31783
Space group: R 3 m :H
Cell volume: 3495.7
Cell parameters: 13.115; 13.115; 23.4675; 90; 90; 120;  

COD ID: 4518294
CIF file Formula: - C32 H32 Br2 Cl2 N4 O Pd -
Comments: Mansour, Waseem; Fettouhi, Mohammed; El Ali, Bassam Regioselective Synthesis of Chromones via Cyclocarbonylative Sonogashira Coupling Catalyzed by Highly Active Bridged-Bis(N-Heterocyclic Carbene)Palladium(II) Complexes. ACS omega 5(50) (2020) 32515-32529
Space group: P 1 21/m 1
Cell volume: 3374
Cell parameters: 10.5561; 23.972; 13.3418; 90; 92.033; 90;  

COD ID: 4518295
CIF file Formula: - C26 H35 Br2 N5 O Pd -
Comments: Mansour, Waseem; Fettouhi, Mohammed; El Ali, Bassam Regioselective Synthesis of Chromones via Cyclocarbonylative Sonogashira Coupling Catalyzed by Highly Active Bridged-Bis(N-Heterocyclic Carbene)Palladium(II) Complexes. ACS omega 5(50) (2020) 32515-32529
Space group: P n m a
Cell volume: 2742.63
Cell parameters: 16.2158; 18.1879; 9.2992; 90; 90; 90;  

COD ID: 4518296
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P -1
Cell volume: 1664.65
Cell parameters: 6.568; 11.6282; 23.0177; 75.5708; 83.3292; 78.5791;  

COD ID: 4518297
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P -1
Cell volume: 1651.1
Cell parameters: 6.5588; 11.5965; 22.9328; 75.503; 83.173; 78.623;  

COD ID: 4518298
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P -1
Cell volume: 1629.61
Cell parameters: 6.5414; 11.5478; 22.833; 75.2496; 82.6125; 78.6305;  

COD ID: 4518299
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P -1
Cell volume: 1621.36
Cell parameters: 6.5356; 11.5341; 22.7933; 75.1696; 82.3422; 78.4758;  

COD ID: 4518300
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P -1
Cell volume: 1615.78
Cell parameters: 6.5315; 11.5254; 22.771; 75.117; 82.1363; 78.3126;  

COD ID: 4518301
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P -1
Cell volume: 1599.7
Cell parameters: 6.5139; 11.5037; 22.7147; 75.0113; 81.627; 77.828;  

COD ID: 4518302
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P 1 21/c 1
Cell volume: 3342.47
Cell parameters: 6.6304; 21.0748; 23.9202; 90; 90.003; 90;  

COD ID: 4518303
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P 1 21/c 1
Cell volume: 3313.3
Cell parameters: 6.6058; 21.0338; 23.8461; 90; 90.0345; 90;  

COD ID: 4518304
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P 1 21/c 1
Cell volume: 3299
Cell parameters: 6.5928; 21.0139; 23.8126; 90; 90.045; 90;  

COD ID: 4518305
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P 1 21/c 1
Cell volume: 3271.3
Cell parameters: 6.5696; 20.9644; 23.7521; 90; 90.06; 90;  

COD ID: 4518306
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P -1
Cell volume: 1624.4
Cell parameters: 6.5457; 15.7693; 16.544; 80.615; 78.588; 78.062;  

COD ID: 4518307
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P -1
Cell volume: 1618.1
Cell parameters: 6.5348; 15.7451; 16.5205; 80.633; 78.662; 78.214;  

COD ID: 4518308
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P -1
Cell volume: 1611.7
Cell parameters: 6.5234; 15.7418; 16.5027; 80.546; 78.61; 78.031;  

COD ID: 4518309
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P -1
Cell volume: 1609.1
Cell parameters: 6.519; 15.7324; 16.4956; 80.55; 78.591; 78.079;  

COD ID: 4518310
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P -1
Cell volume: 1602.2
Cell parameters: 6.5067; 15.7132; 16.4758; 80.514; 78.597; 78.097;  

COD ID: 4518311
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P -1
Cell volume: 1597.9
Cell parameters: 6.4984; 15.701; 16.4654; 80.51; 78.607; 78.086;  

COD ID: 4518312
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P -1
Cell volume: 1594.8
Cell parameters: 6.4946; 15.6923; 16.4564; 80.465; 78.618; 78.041;  

COD ID: 4518313
CIF file Formula: - C16 H20 O4 Rh -
Comments: Rumyantcev, Roman V.; Fukin, Georgy K.; Romanenko, Galina V.; Teplova, Irina A.; Bubnov, Michael P.; Cherkasov, Vladimir K. Single Crystal X-ray Diffraction Studies of Two Polymorphic Modifications of the Dicarbonyl-<i>o</i>-Semiquinonato Rhodium Complex at Different Temperatures. Destruction Stimulated by Cooling Versus Stability. ACS omega 5(50) (2020) 32792-32799
Space group: P 1 21/c 1
Cell volume: 3340.4
Cell parameters: 6.6281; 21.0702; 23.9189; 90; 90.0073; 90;  

COD ID: 4518317
CIF file Formula: - C20 H21 N3 O2 -
Comments: Porter, Matthew R.; Xiao, Haiyan; Maity, Sanjay; Vail, Nora; Smith, Sylvia B.; Topczewski, Joseph J. Enhanced Affinity for 3-Amino-Chromane-Derived σ<sub>1</sub> Receptor Ligands. ACS omega 5(50) (2020) 32724-32737
Space group: P 21 21 21
Cell volume: 1768.8
Cell parameters: 5.7103; 14.1241; 21.931; 90; 90; 90;  

COD ID: 4518318
CIF file Formula: - C19 H20 Cl N O2 -
Comments: Porter, Matthew R.; Xiao, Haiyan; Maity, Sanjay; Vail, Nora; Smith, Sylvia B.; Topczewski, Joseph J. Enhanced Affinity for 3-Amino-Chromane-Derived σ<sub>1</sub> Receptor Ligands. ACS omega 5(50) (2020) 32724-32737
Space group: C 1 2 1
Cell volume: 1644.8
Cell parameters: 22.1472; 6.7744; 11.9744; 90; 113.721; 90;  

COD ID: 4518323
CIF file Formula: - C414 H204 O232 Tb30 -
Comments: Chai, Hong-mei; Zhang, Gang-qiang; Jiao, Chun-xia; Ren, Yi-xia; Gao, Lou-jun A Multifunctional Tb-MOF Detector for H2O2, Fe3+, Cr2O72‒, and TPA Explosive Featuring Coexistence of Binuclear and Tetranuclear Clusters ACS Omega 5(51) (2020) 33039-33046
Space group: R 3 :H
Cell volume: 14501.6
Cell parameters: 38.8146; 38.8146; 11.1146; 90; 90; 120;  

COD ID: 4518324
CIF file Formula: - C11 H8 N4 O4 -
Comments: Obydennov, Dmitrii L.; Simbirtseva, Alena E.; Piksin, Sergey E.; Sosnovskikh, Vyacheslav Y. 2,6-Dicyano-4-pyrone as a Novel and Multifarious Building Block for the Synthesis of 2,6-Bis(hetaryl)-4-pyrones and 2,6-Bis(hetaryl)-4-pyridinols ACS Omega 5(51) (2020) 33406-33420
Space group: P 1 21/c 1
Cell volume: 1112.7
Cell parameters: 11.414; 10.9106; 9.0833; 90; 100.36; 90;  

COD ID: 4519515
CIF file Formula: - Fe -
Comments: Sanchez-Perez, Clara; Knapp, Caroline E; Colman, Ross H; Sotelo-Vazquez, Carlos; Sathasivam,Sanjayan; Oilunkaniemi, Raija; Laitinen, Risto S.; Carmalt, Claire J. Iron-intercalated zirconium diselenide thin films from the low-pressure chemical vapor deposition of[Fe(η^5-C_5H_4Se)_2Zr(η^5-C_5H_5)_2]_2 ACS Omega 5 (2020) 15799
Space group: I m -3 m
Cell volume: 23.661
Cell parameters: 2.87086; 2.87086; 2.87086; 90; 90; 90;  


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