Crystallography Open Database
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Searching journal of publication like 'Crystals' volume of publication is 14
COD ID: 1570706 | |
CIF file | Formula: - Bi6 O15 Te2 - Comments: Kim, Sun Woo; Chang, Hong Young Structural Analysis, Characterization, and First-Principles Calculations of Bismuth Tellurium Oxides, Bi6Te2O15 Crystals 14(1) (2023) 23 Space group: P n m a Cell volume: 1293.2 Cell parameters: 10.5831; 22.694; 5.3843; 90; 90; 90; |
COD ID: 1570707 | |
CIF file | Formula: - K Na O4 S - Comments: Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions Crystals 14(1) (2023) 27 Space group: P -3 m 1 Cell volume: 206.75 Cell parameters: 5.6914; 5.6914; 7.37; 90; 90; 120; |
COD ID: 1570708 | |
CIF file | Formula: - K Na O4 S - Comments: Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions Crystals 14(1) (2023) 27 Space group: P 63/m m c Cell volume: 215.7 Cell parameters: 5.669; 5.669; 7.75; 90; 90; 120; |
COD ID: 1570709 | |
CIF file | Formula: - K Na O4 S - Comments: Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions Crystals 14(1) (2023) 27 Space group: P 63/m m c Cell volume: 231.25 Cell parameters: 5.654; 5.654; 8.353; 90; 90; 120; |
COD ID: 1570896 | |
CIF file | Formula: - C30 H43 Br2 Co N8 O8 - Comments: Hu, Hong-Zhi; Yan, Yi-Bo; Wang, Na; Adila, Abuduheni; Liu, Yang; Liu, Zun-Qi Phase Transition and Switchable Dielectric Properties of a Three-Dimensional Hydrogen-Bonding Framework Based on Cobalt (Ⅲ), o-Bromoaniline, and 18-Crown-6 Crystals 14(1) (2024) 87 Space group: P -1 Cell volume: 924.3 Cell parameters: 8.566; 9.831; 11.508; 75.764; 79.755; 88.092; |
COD ID: 1570897 | |
CIF file | Formula: - C30 H43 Br2 Co N8 O8 - Comments: Hu, Hong-Zhi; Yan, Yi-Bo; Wang, Na; Adila, Abuduheni; Liu, Yang; Liu, Zun-Qi Phase Transition and Switchable Dielectric Properties of a Three-Dimensional Hydrogen-Bonding Framework Based on Cobalt (Ⅲ), o-Bromoaniline, and 18-Crown-6 Crystals 14(1) (2024) 87 Space group: P -1 Cell volume: 936.8 Cell parameters: 8.724; 9.687; 11.556; 77.799; 78.954; 88.451; |
COD ID: 1571107 | |
CIF file | Formula: - C32 H16 Ga N8 O0.5 - Comments: Zugenmaier, Peter Crystal and Molecular Structures of Two Phthalocyanines, Chloro(phthalocyaninato)gallium(III) (ClGaPc) and µ-Oxobis(phthalocyaninato)gallium(III) (PcGaOGaPc) Crystals 14(2) (2024) 182 Space group: P -1 Cell volume: 1245.9 Cell parameters: 7.848; 12.529; 12.72; 91.03; 94.94; 89.98; |
COD ID: 1571108 | |
CIF file | Formula: - C28 H25 B Cu F4 N6 P - Comments: Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco Single-Crystal X-ray Structure Determination of Tris(pyrazol-1-yl)methane Triphenylphosphine Copper(I) Tetrafluoroborate, Hirshfeld Surface Analysis and DFT Calculations Crystals 14(2) (2024) 162 Space group: P 1 21/c 1 Cell volume: 2837.2 Cell parameters: 11.9442; 15.5313; 15.9059; 90; 105.945; 90; |
COD ID: 1571109 | |
CIF file | Formula: - Al F5 Fe H14 O7 - Comments: Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates Crystals 14(2) (2024) 197 Space group: C 1 2/m 1 Cell volume: 967.26 Cell parameters: 10.918; 13.802; 6.521; 90; 100.154; 90; |
COD ID: 1571110 | |
CIF file | Formula: - Al Co F5 H14 O7 - Comments: Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates Crystals 14(2) (2024) 197 Space group: C 1 2/m 1 Cell volume: 956.7 Cell parameters: 10.8749; 13.7822; 6.4894; 90; 100.397; 90; |
COD ID: 1571111 | |
CIF file | Formula: - Al F5 H14 Ni O7 - Comments: Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates Crystals 14(2) (2024) 197 Space group: C 1 2/m 1 Cell volume: 938.82 Cell parameters: 10.788; 13.6952; 6.4554; 90; 100.151; 90; |
COD ID: 1571112 | |
CIF file | Formula: - Al F5 Fe H14 O7 - Comments: Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates Crystals 14(2) (2024) 197 Space group: P -1 Cell volume: 476.05 Cell parameters: 6.4864; 8.719; 8.7917; 103.834; 96.364; 95.4; |
COD ID: 1571113 | |
CIF file | Formula: - Al Co F5 H14 O7 - Comments: Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates Crystals 14(2) (2024) 197 Space group: P -1 Cell volume: 470.08 Cell parameters: 6.4434; 8.6691; 8.8031; 104.019; 96.749; 95.254; |
COD ID: 1571114 | |
CIF file | Formula: - Al F5 H14 Ni O7 - Comments: Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates Crystals 14(2) (2024) 197 Space group: P -1 Cell volume: 460.96 Cell parameters: 6.4022; 8.5874; 8.7691; 104.255; 96.638; 94.816; |
COD ID: 1571115 | |
CIF file | Formula: - C H8 Mg N2 O7 S - Comments: Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O Crystals 14(3) (2024) 227 Space group: P -1 Cell volume: 367.38 Cell parameters: 5.214; 7.7014; 10.4275; 68.758; 77.177; 71.498; |
COD ID: 1571116 | |
CIF file | Formula: - C H10 Mg N2 O8 S - Comments: Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O Crystals 14(3) (2024) 227 Space group: P 1 21 1 Cell volume: 412.44 Cell parameters: 5.2452; 7.708; 10.23; 90; 94.291; 90; |
COD ID: 1571376 | |
CIF file | Formula: - C24 H28 Mn N4 O5 - Comments: Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K. Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies Crystals 14(4) (2024) 318 Space group: P b c n Cell volume: 2369.9 Cell parameters: 19.2401; 12.1579; 10.1312; 90; 90; 90; |
COD ID: 1571377 | |
CIF file | Formula: - C18 H26 Cu N4 O4 - Comments: Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K. Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies Crystals 14(4) (2024) 318 Space group: P b c n Cell volume: 1900.96 Cell parameters: 15.6899; 10.7161; 11.3062; 90; 90; 90; |
COD ID: 1571378 | |
CIF file | Formula: - C7 H7 F3 N4 O2 - Comments: Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals 14(4) (2024) 319 Space group: P 1 21/m 1 Cell volume: 448.82 Cell parameters: 5.0459; 9.373; 9.5454; 90; 96.187; 90; |
COD ID: 1571379 | |
CIF file | Formula: - C5 H6 Cl2 Cu N4 - Comments: Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals 14(4) (2024) 319 Space group: P n m a Cell volume: 836.3 Cell parameters: 8.71; 6.292; 15.26; 90; 90; 90; |
COD ID: 1571380 | |
CIF file | Formula: - C5 H6 Br2 Cu N4 - Comments: Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals 14(4) (2024) 319 Space group: P n m a Cell volume: 891.6 Cell parameters: 8.924; 6.3937; 15.626; 90; 90; 90; |
COD ID: 1571381 | |
CIF file | Formula: - C5 H6 Cl2 Cu N4 - Comments: Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals 14(4) (2024) 319 Space group: P n m a Cell volume: 812.72 Cell parameters: 8.6664; 6.2964; 14.894; 90; 90; 90; |
COD ID: 1571382 | |
CIF file | Formula: - C5 H6 Br2 Cu N4 - Comments: Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals 14(4) (2024) 319 Space group: P n m a Cell volume: 874.92 Cell parameters: 8.943; 6.4316; 15.2113; 90; 90; 90; |
COD ID: 1571383 | |
CIF file | Formula: - C6 H7 Cl2 Cu N3 - Comments: Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals 14(4) (2024) 319 Space group: P 1 21/n 1 Cell volume: 852.86 Cell parameters: 8.3731; 10.9315; 9.5637; 90; 103.022; 90; |
COD ID: 1571384 | |
CIF file | Formula: - C5 H6 Cl2 Cu N4 - Comments: Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals 14(4) (2024) 319 Space group: P 1 21/n 1 Cell volume: 859.6 Cell parameters: 8.4622; 10.6392; 9.6678; 90; 99.036; 90; |
COD ID: 1571385 | |
CIF file | Formula: - C33 H27 F4 Ir N4 O4.25 - Comments: Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals 14(3) (2024) 281 Space group: P -1 Cell volume: 3543.5 Cell parameters: 12.0056; 13.9227; 21.5251; 84.548; 81.768; 87.722; |
COD ID: 1571386 | |
CIF file | Formula: - C28.5 H19 Cl F4 Ir N4 O2.5 - Comments: Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals 14(3) (2024) 281 Space group: P 1 21/c 1 Cell volume: 5535.1 Cell parameters: 20.1167; 16.8038; 17.1342; 90; 107.127; 90; |
COD ID: 1571387 | |
CIF file | Formula: - C30 H25 Cl4 Ir N4 O3 - Comments: Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals 14(3) (2024) 281 Space group: P 1 21 1 Cell volume: 1513.11 Cell parameters: 9.3656; 16.9853; 9.5139; 90; 91.2046; 90; |
COD ID: 1571388 | |
CIF file | Formula: - C30 H25 Cl4 Ir N4 O2 - Comments: Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals 14(3) (2024) 281 Space group: P 1 21 1 Cell volume: 1492.69 Cell parameters: 9.3682; 16.9395; 9.4088; 90; 91.347; 90; |
COD ID: 1571389 | |
CIF file | Formula: - C27 H15 F4 Ir N4 O2 - Comments: Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals 14(3) (2024) 281 Space group: P -1 Cell volume: 2325.6 Cell parameters: 8.815; 12.0339; 22.3146; 87.528; 79.542; 89.854; |
COD ID: 1571390 | |
CIF file | Formula: - C31 H20 Cl2 F10 Ir N6 P - Comments: Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals 14(3) (2024) 281 Space group: P 1 21/c 1 Cell volume: 3283.2 Cell parameters: 9.6985; 24.7164; 13.7261; 90; 93.775; 90; |
COD ID: 1571391 | |
CIF file | Formula: - C32.5 H24 Cl F10 Ir N6 O0.5 P - Comments: Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals 14(3) (2024) 281 Space group: P -1 Cell volume: 3264.3 Cell parameters: 13.8002; 14.3504; 17.3147; 72.193; 89.145; 89.584; |
COD ID: 1571392 | |
CIF file | Formula: - C37 H32 Cl2 F10 Ir N6 P - Comments: Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals 14(3) (2024) 281 Space group: P -1 Cell volume: 1875.2 Cell parameters: 8.6227; 13.5061; 16.6738; 104.272; 94.651; 90.132; |
COD ID: 1571393 | |
CIF file | Formula: - C30 H22 F6 Ir N6 P - Comments: Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals 14(3) (2024) 281 Space group: P b c a Cell volume: 5506.3 Cell parameters: 10.8324; 16.0987; 31.5748; 90; 90; 90; |
COD ID: 1571551 | |
CIF file | Formula: - C90 H80 Cl6 Mn3 N18 O46 - Comments: Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco Further Insight into the Manganese(II) 2,2′-Bipyridine-1,1′-dioxide Homoleptic Complex: Single-Crystal X-ray Structure Determination of the Perchlorate Salt and DFT Calculations Crystals 14(5) (2024) 422 Space group: P 1 21/n 1 Cell volume: 10355.2 Cell parameters: 21.266; 19.1361; 25.447; 90; 90.517; 90; |
COD ID: 1571552 | |
CIF file | Formula: - C90 H80 Cl6 Mn3 N18 O46 - Comments: Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco Further Insight into the Manganese(II) 2,2′-Bipyridine-1,1′-dioxide Homoleptic Complex: Single-Crystal X-ray Structure Determination of the Perchlorate Salt and DFT Calculations Crystals 14(5) (2024) 422 Space group: P 1 21/n 1 Cell volume: 10370 Cell parameters: 21.302; 19.101; 25.487; 90; 90.354; 90; |
COD ID: 1572291 | |
CIF file | Formula: - C11 H16 O - Comments: Iwanek (nee Wilczkowska), Ewa M.; Gliński, Marek Study of the Influence of the Change from Methyl to Isopropyl Substituents in 1-(2,4,6-trialkylphenyl)ethanol on the Point Group Symmetry of the 0-D Hydrogen-Bonded Moiety Crystals 14(7) (2024) 642 Space group: P -3 Cell volume: 4532.14 Cell parameters: 24.1786; 24.1786; 8.9518; 90; 90; 120; |
COD ID: 1572292 | |
CIF file | Formula: - C17 H28 O - Comments: Iwanek (nee Wilczkowska), Ewa M.; Gliński, Marek Study of the Influence of the Change from Methyl to Isopropyl Substituents in 1-(2,4,6-trialkylphenyl)ethanol on the Point Group Symmetry of the 0-D Hydrogen-Bonded Moiety Crystals 14(7) (2024) 642 Space group: P -1 Cell volume: 3270.94 Cell parameters: 13.1947; 13.6034; 18.7383; 89.584; 76.961; 86.63; |
COD ID: 1572293 | |
CIF file | Formula: - C17 H26 O - Comments: Iwanek (nee Wilczkowska), Ewa M.; Gliński, Marek Study of the Influence of the Change from Methyl to Isopropyl Substituents in 1-(2,4,6-trialkylphenyl)ethanol on the Point Group Symmetry of the 0-D Hydrogen-Bonded Moiety Crystals 14(7) (2024) 642 Space group: P 1 21/n 1 Cell volume: 1629.8 Cell parameters: 5.921; 20.42; 13.5; 90; 93.11; 90; |
COD ID: 1572294 | |
CIF file | Formula: - C21 H24 N O6 P3 - Comments: Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers Crystals 14(7) (2024) 662 Space group: P 3 c 1 Cell volume: 1192.65 Cell parameters: 9.3792; 9.3792; 15.6549; 90; 90; 120; |
COD ID: 1572295 | |
CIF file | Formula: - C21 H24 N O6 P3 - Comments: Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers Crystals 14(7) (2024) 662 Space group: R 3 c :H Cell volume: 3295.28 Cell parameters: 18.2554; 18.2554; 11.4177; 90; 90; 120; |
COD ID: 1572296 | |
CIF file | Formula: - C30 H48 N O6 P3 Si3 - Comments: Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers Crystals 14(7) (2024) 662 Space group: R -3 :H Cell volume: 11878.8 Cell parameters: 12.1818; 12.1818; 92.431; 90; 90; 120; |
COD ID: 1572297 | |
CIF file | Formula: - C18 H25 N3 O4 S - Comments: Zhang, Menglong; Hou, Xinyu; Yu, Fuhai; Zhang, Liang; Hou, Baohong; Zhou, Lina; Xie, Chuang; Wu, Songgu; Chen, Wei Synthesis, Characterization, and Analysis of Probenecid and Pyridine Compound Salts Crystals 14(7) (2024) 670 Space group: P 21 21 21 Cell volume: 1948.75 Cell parameters: 7.1146; 11.2314; 24.3877; 90; 90; 90; |
COD ID: 1572298 | |
CIF file | Formula: - C20 H29 N3 O4 S - Comments: Zhang, Menglong; Hou, Xinyu; Yu, Fuhai; Zhang, Liang; Hou, Baohong; Zhou, Lina; Xie, Chuang; Wu, Songgu; Chen, Wei Synthesis, Characterization, and Analysis of Probenecid and Pyridine Compound Salts Crystals 14(7) (2024) 670 Space group: P 1 21/c 1 Cell volume: 2120.06 Cell parameters: 6.883; 7.1512; 43.1607; 90; 93.68; 90; |
COD ID: 1572510 | |
CIF file | Formula: - C10 H12 N6 O5 - Comments: Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations Crystals 14(8) (2024) 733 Space group: P 1 21/n 1 Cell volume: 1239.05 Cell parameters: 6.54619; 12.52881; 15.12082; 90; 92.4078; 90; |
COD ID: 1572511 | |
CIF file | Formula: - C10 H9 Cl N6 O4 - Comments: Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations Crystals 14(8) (2024) 733 Space group: P 1 21/c 1 Cell volume: 1185.58 Cell parameters: 9.83584; 15.2908; 8.52118; 90; 112.316; 90; |
COD ID: 1572512 | |
CIF file | Formula: - C11 H10 N8 O4 - Comments: Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations Crystals 14(8) (2024) 733 Space group: P 1 21/n 1 Cell volume: 1242.88 Cell parameters: 9.3148; 14.8388; 9.4812; 90; 108.486; 90; |
COD ID: 1572513 | |
CIF file | Formula: - C14 H17 N16 O5.5 - Comments: Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations Crystals 14(8) (2024) 733 Space group: C 1 2/c 1 Cell volume: 4012.05 Cell parameters: 25.774; 6.56343; 26.4567; 90; 116.307; 90; |
COD ID: 1572514 | |
CIF file | Formula: - C10 H10 N4 O4 S - Comments: Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations Crystals 14(8) (2024) 733 Space group: P 1 21/n 1 Cell volume: 1124.36 Cell parameters: 10.9538; 3.79977; 27.193; 90; 96.586; 90; |
COD ID: 1572515 | |
CIF file | Formula: - C10 H9 Cl N4 O4 S - Comments: Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations Crystals 14(8) (2024) 733 Space group: P 1 21/n 1 Cell volume: 1290.02 Cell parameters: 10.2509; 4.64879; 27.0791; 90; 91.446; 90; |
COD ID: 1572516 | |
CIF file | Formula: - C10 H10 N4 O4 S2 - Comments: Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations Crystals 14(8) (2024) 733 Space group: C 1 c 1 Cell volume: 1253.24 Cell parameters: 4.20086; 21.3241; 13.9944; 90; 91.394; 90; |
COD ID: 1572517 | |
CIF file | Formula: - C25 H21 Co1.5 N6 O4 - Comments: Xiao, Caihong; Du, Shaowu First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies Crystals 14(8) (2024) 731 Space group: C 1 2/c 1 Cell volume: 5482 Cell parameters: 23.741; 12.626; 19.3; 90; 108.642; 90; |
COD ID: 1572518 | |
CIF file | Formula: - C20.67 H14 Co N4 O2.67 - Comments: Xiao, Caihong; Du, Shaowu First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies Crystals 14(8) (2024) 731 Space group: P 3 Cell volume: 1579.4 Cell parameters: 11.6083; 11.6083; 13.5342; 90; 90; 120; |
COD ID: 1572519 | |
CIF file | Formula: - C12 H9 Co0.75 N2 O2 - Comments: Xiao, Caihong; Du, Shaowu First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies Crystals 14(8) (2024) 731 Space group: P -4 21 c Cell volume: 2315.2 Cell parameters: 12.2559; 12.2559; 15.4132; 90; 90; 90; |
COD ID: 1572810 | |
CIF file | Formula: - Ag0.33 Pb0.33 Sb0.33 Se - Comments: Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te Crystals 14(9) (2024) 789 Space group: F m -3 m Cell volume: 208.19 Cell parameters: 5.9268; 5.9268; 5.9268; 90; 90; 90; |
COD ID: 1572811 | |
CIF file | Formula: - Ag0.38 Pb0.25 Sb2.38 Te4 - Comments: Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te Crystals 14(9) (2024) 789 Space group: R -3 m :H Cell volume: 661.74 Cell parameters: 4.2887; 4.2887; 41.544; 90; 90; 120; |
COD ID: 1572812 | |
CIF file | Formula: - Ag0.61 Pb1.79 Sb2.61 Se6 - Comments: Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te Crystals 14(9) (2024) 789 Space group: C m c m Cell volume: 1217.74 Cell parameters: 4.2118; 13.859; 20.862; 90; 90; 90; |
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