Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
9017441 | CIF | Fe H Li O5 P | P -1 | 5.3528; 7.2896; 5.1187 109.359; 97.733; 106.359 | 174.984 | Marx, N.; Croguennec, L.; Carlier, D.; Wattiaux, A.; Le Cras, F.; Suard, E.; Delmas, C. The structure of tavorite LiFePO4(OH) from diffraction and GGA + U studies and its preliminary electrochemical characterization Dalton Transactions, 2010, 39, 5108-5116 |
9012105 | CIF | H In O5 P Rb | P 43 21 2 | 9.4; 9.4; 11.179 90; 90; 90 | 987.776 | Lii, K. H. RbIn(OH)PO4: an indium(III) phosphate containing spirals of corner-sharing InO6 octahedra Dalton Transactions, 1996, 1996, 815-818 |
9012104 | CIF | Se8 | P 1 21/c 1 | 15.018; 14.713; 8.789 90; 93.61; 90 | 1938.16 | Foss, O.; Janickis, V. Crystal structure of gamma-monoclinic selenium Note: structure known as gamma phase Note: gamma-monoclinic selenium is allotrope of cyclo-octaselenium Dalton Transactions, 1980, 1980, 624-627 |
9012103 | CIF | C4 H8 Cu O5 | C 1 2/c 1 | 13.168; 8.564; 13.858 90; 117.02; 90 | 1392.2 | Meester, P.; Fletcher, S. R.; Skapski, A. C. Refined crystal structure of tetra-mu-acetato-bisaquodicopper (II) Dalton Transactions, 1973, 1973, 2575-2578 |
9012102 | CIF | As4 S5 | P 1 21/m 1 | 7.98; 8.1; 7.14 90; 101; 90 | 453.036 | Whitfield, H. J. Crystal and molecular structure of tetraarsenic pentasulphide Dalton Transactions, 1973, 1973, 1740-1742 |
9012101 | CIF | As S | C 1 2/c 1 | 9.957; 9.335; 8.889 90; 102.48; 90 | 806.698 | Porter, E. J.; Sheldrick, G. M. Crystal structure of a new crystalline modification of tetra-arsenic tetrasuphide (2,3,4,8-tetrathia1,2,3,7-tetra-arsatricyclo[3,3,0,0]-octane) Dalton Transactions, 1972, 1972, 1347-1349 |
9009748 | CIF | O3 Sb2 | P c c n | 4.8996; 12.449; 5.4103 90; 90; 90 | 330.002 | Whitten, A. E.; Dittrich, B.; Spackman, M. A.; Turner, P.; Brown, T. C. Charge density analysis of two polymorphs of antimony(III) oxide Dalton Transactions, 2004, 2004, 23-29 |
9009747 | CIF | O3 Sb2 | F d -3 m :2 | 11.116; 11.116; 11.116 90; 90; 90 | 1373.55 | Whitten, A. E.; Dittrich, B.; Spackman, M. A.; Turner, P.; Brown, T. C. Charge density analysis of two polymorphs of antimony(III) oxide Dalton Transactions, 2004, 2004, 23-29 |
9009746 | CIF | Mg2 O7 V2 | P 1 21/c 1 | 6.599; 8.406; 9.472 90; 100.608; 90 | 516.443 | Nielsen, U. G.; Jakobsen, H. J.; Skibsted, J.; Norby, P. Crystal structure of alpha-Mg2V2O7 from synchrotron X-ray powder diffraction and characterization by 51V MAS NMR spectroscopy Note: z-coordinate of V1 changed as directed by the author, Aug 2005. Dalton Transactions, 2001, 2001, 3214-3218 |
7716000 | CIF | C40 H26 Ce F9 N2 O6 | P 1 21/n 1 | 11.1505; 22.8068; 15.0009 90; 99.925; 90 | 3757.7 | Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardia, Merce; Vicente, Ramon New series of Mononuclear β-diketonate Cerium(III) Field Induced Single-Molecule Magnets Dalton Transactions, 2024 |
7715999 | CIF | C42 H26 Ce F9 N2 O6 | P 1 21/c 1 | 9.6048; 36.456; 10.9642 90; 93.01; 90 | 3833.8 | Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardia, Merce; Vicente, Ramon New series of Mononuclear β-diketonate Cerium(III) Field Induced Single-Molecule Magnets Dalton Transactions, 2024 |
7715998 | CIF | C42 H31 Ce F9 N2 O7 | P -1 | 10.8841; 12.3497; 17.1066 88.341; 76.6; 66.494 | 2046 | Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardia, Merce; Vicente, Ramon New series of Mononuclear β-diketonate Cerium(III) Field Induced Single-Molecule Magnets Dalton Transactions, 2024 |
7715997 | CIF | C57 H41 Ce F9 N3 O7 | P 1 21/c 1 | 15.4985; 17.0389; 20.7744 90; 107.757; 90 | 5224.7 | Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardia, Merce; Vicente, Ramon New series of Mononuclear β-diketonate Cerium(III) Field Induced Single-Molecule Magnets Dalton Transactions, 2024 |
7715996 | CIF | C45 H29 Ce F9 N3 O6 | P 43 | 10.5626; 10.5626; 38.185 90; 90; 90 | 4260.2 | Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardia, Merce; Vicente, Ramon New series of Mononuclear β-diketonate Cerium(III) Field Induced Single-Molecule Magnets Dalton Transactions, 2024 |
7715995 | CIF | C30 H22 Ce F9 O8 | P 21 21 21 | 10.8091; 14.0772; 21.079 90; 90; 90 | 3207.42 | Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardia, Merce; Vicente, Ramon New series of Mononuclear β-diketonate Cerium(III) Field Induced Single-Molecule Magnets Dalton Transactions, 2024 |
7715994 | CIF | C30 H22 Ce F9 O8 | P 21 21 21 | 10.8548; 13.219; 23.317 90; 90; 90 | 3345.7 | Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardia, Merce; Vicente, Ramon New series of Mononuclear β-diketonate Cerium(III) Field Induced Single-Molecule Magnets Dalton Transactions, 2024 |
7715989 | CIF | C45 H42 Co1.5 F9 Fe N15 O6 | C 1 2/c 1 | 28.9299; 19.9584; 23.2361 90; 100.411; 90 | 13195.5 | Yadav, Jyoti; Nandi, Monojit; Kharel, Ranjan; Mukherjee, Moubani; Konar, Sanjit Thermal and protonation-induced electron transfer coupled spin transition in discrete [Fe2Co3] Prussian Blue Analogue Dalton Transactions, 2024 |
7715988 | CIF | C22 H42 K O6 P3 | P 21 21 21 | 9.5881; 17.1596; 17.2604 90; 90; 90 | 2839.82 | Uttendorfer, Maria Katharina; Hierlmeier, Gabriele; Balazs, Gabor; Wolf, Robert Access to 1,2,3-triphospholide ligands by reduction of di-tert-butyldiphosphatetrahedrane Dalton Transactions, 2024 |
7715987 | CIF | C20 H36 P6 | C 1 2/c 1 | 19.2177; 12.5176; 22.1442 90; 112.755; 90 | 4912.4 | Uttendorfer, Maria Katharina; Hierlmeier, Gabriele; Balazs, Gabor; Wolf, Robert Access to 1,2,3-triphospholide ligands by reduction of di-tert-butyldiphosphatetrahedrane Dalton Transactions, 2024 |
7715986 | CIF | C27 H51 O6 P2 Rb | P -1 | 9.3862; 10.5727; 16.3426 90.511; 98.341; 101.542 | 1570.99 | Uttendorfer, Maria Katharina; Hierlmeier, Gabriele; Balazs, Gabor; Wolf, Robert Access to 1,2,3-triphospholide ligands by reduction of di-tert-butyldiphosphatetrahedrane Dalton Transactions, 2024 |
7715985 | CIF | C20 H33 Fe P3 | P 1 21/c 1 | 10.1779; 12.7916; 16.426 90; 107.87; 90 | 2035.35 | Uttendorfer, Maria Katharina; Hierlmeier, Gabriele; Balazs, Gabor; Wolf, Robert Access to 1,2,3-triphospholide ligands by reduction of di-tert-butyldiphosphatetrahedrane Dalton Transactions, 2024 |
7715984 | CIF | C20 H33 P3 Ru | P 1 21/c 1 | 10.2485; 13.0851; 16.33 90; 107.637; 90 | 2086.96 | Uttendorfer, Maria Katharina; Hierlmeier, Gabriele; Balazs, Gabor; Wolf, Robert Access to 1,2,3-triphospholide ligands by reduction of di-tert-butyldiphosphatetrahedrane Dalton Transactions, 2024 |
7715983 | CIF | C22 H42 O6 P3 Rb | P 1 21/n 1 | 10.3193; 16.0011; 17.6998 90; 106.489; 90 | 2802.4 | Uttendorfer, Maria Katharina; Hierlmeier, Gabriele; Balazs, Gabor; Wolf, Robert Access to 1,2,3-triphospholide ligands by reduction of di-tert-butyldiphosphatetrahedrane Dalton Transactions, 2024 |
7715982 | CIF | C30 H58 Li O9 P3 | P b c a | 37.25924; 12.33778; 31.13083 90; 90; 90 | 14310.7 | Uttendorfer, Maria Katharina; Hierlmeier, Gabriele; Balazs, Gabor; Wolf, Robert Access to 1,2,3-triphospholide ligands by reduction of di-tert-butyldiphosphatetrahedrane Dalton Transactions, 2024 |
7715981 | CIF | C48 H42 B2 N2 | P 1 21/c 1 | 14.4866; 9.54883; 27.3251 90; 96.5701; 90 | 3755.06 | Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes Dalton Transactions, 2024 |
7715980 | CIF | C34 H32 N2 Si2 | C 1 2/c 1 | 33.9; 12.1623; 15.9963 90; 117.866; 90 | 5830.5 | Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes Dalton Transactions, 2024 |
7715979 | CIF | C53 H38 B3 Cl6 N3 | P -1 | 12.7063; 13.7794; 15.4494 114.175; 101.129; 103.186 | 2274.3 | Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes Dalton Transactions, 2024 |
7715978 | CIF | C45 H28 B2 N3 | P -1 | 12.53928; 13.09723; 20.87428 104.878; 102.068; 103.795 | 3081.36 | Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes Dalton Transactions, 2024 |
7715977 | CIF | C43.75 H29 B2 N3 | P -1 | 13.4369; 15.3305; 16.2651 93.335; 104.594; 95.069 | 3218.5 | Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes Dalton Transactions, 2024 |
7715976 | CIF | C77 H72 B3 N7 | C 1 2/c 1 | 23.3411; 16.5921; 18.8439 90; 113.996; 90 | 6667.1 | Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes Dalton Transactions, 2024 |
7715975 | CIF | C30 H20 B2 Br2 N2 | P -1 | 10.4916; 11.482; 12.0304 66.894; 72.833; 80.133 | 1271 | Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes Dalton Transactions, 2024 |
7715974 | CIF | C48 H45 N3 Si3 | P 63/m | 12.6858; 12.6858; 14.316 90; 90; 120 | 1995.2 | Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes Dalton Transactions, 2024 |
7715973 | CIF | C34 H32 N2 Si2 | P 1 21/c 1 | 15.0752; 11.9578; 15.9121 90; 93.715; 90 | 2862.4 | Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes Dalton Transactions, 2024 |
7715972 | CIF | C57 H74 P4 S2 | P -1 | 9.6607; 17.1058; 17.4524 105.193; 94.859; 101.727 | 2696 | Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael T.; Ponikiewski, Łukasz From phosphanylphosphaalkene to coordination copper and silver polymers containing P-P bond Dalton Transactions, 2024 |
7715971 | CIF | C25 H33 Ag Cl P2 S | I 1 2/a 1 | 29.324; 9.7516; 18.3994 90; 98.631; 90 | 5201.8 | Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael T.; Ponikiewski, Łukasz From phosphanylphosphaalkene to coordination copper and silver polymers containing P-P bond Dalton Transactions, 2024 |
7715970 | CIF | C46 H66 P4 S2 | P -1 | 8.4421; 9.329; 16.0163 80.56; 88.671; 66.536 | 1140.18 | Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael T.; Ponikiewski, Łukasz From phosphanylphosphaalkene to coordination copper and silver polymers containing P-P bond Dalton Transactions, 2024 |
7715969 | CIF | C25 H33 Ag Cl P2 S | I 1 2/a 1 | 29.1911; 9.7656; 18.4336 90; 98.632; 90 | 5195.3 | Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael T.; Ponikiewski, Łukasz From phosphanylphosphaalkene to coordination copper and silver polymers containing P-P bond Dalton Transactions, 2024 |
7715968 | CIF | C23 H33 Ag Cl P2 S | P -1 | 8.6692; 9.7343; 16.9516 90.826; 103.141; 115.892 | 1242.63 | Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael T.; Ponikiewski, Łukasz From phosphanylphosphaalkene to coordination copper and silver polymers containing P-P bond Dalton Transactions, 2024 |
7715967 | CIF | C23 H33 Cl Cu P2 S | I 1 2/a 1 | 17.2149; 9.9874; 29.208 90; 105.951; 90 | 4828.4 | Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael T.; Ponikiewski, Łukasz From phosphanylphosphaalkene to coordination copper and silver polymers containing P-P bond Dalton Transactions, 2024 |
7715966 | CIF | C25 H33 Cl Cu P2 S | I 1 2/a 1 | 28.5608; 9.7959; 18.4297 90; 99.998; 90 | 5077.9 | Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael T.; Ponikiewski, Łukasz From phosphanylphosphaalkene to coordination copper and silver polymers containing P-P bond Dalton Transactions, 2024 |
7715965 | CIF | C28 H39 Cr2 N4 Na O21 | P 1 2 1 | 21.0907; 8.6541; 22.8011 90; 110.661; 90 | 3894.02 | Dunatov, Marko; Zhao, Zhibo; Žilić, Dijana; Androš Dubraja, Lidija Homochiral tartrate-bridged dinuclear chromium(III) complex anion with resonance-assisted hydrogen bond for proton conduction Dalton Transactions, 2024 |
7715964 | CIF | C28 H39 Cr2 N4 Na O21 | P 1 2 1 | 21.0907; 8.6541; 22.8011 90; 110.661; 90 | 3894.02 | Dunatov, Marko; Zhao, Zhibo; Žilić, Dijana; Androš Dubraja, Lidija Homochiral tartrate-bridged dinuclear chromium(III) complex anion with resonance-assisted hydrogen bond for proton conduction Dalton Transactions, 2024 |
7715963 | CIF | C28 H39 Cr2 N4 Na O21 | P 1 2 1 | 19.981; 8.7003; 22.9085 90; 99.22; 90 | 3930.98 | Dunatov, Marko; Zhao, Zhibo; Žilić, Dijana; Androš Dubraja, Lidija Homochiral tartrate-bridged dinuclear chromium(III) complex anion with resonance-assisted hydrogen bond for proton conduction Dalton Transactions, 2024 |
7715962 | CIF | C26 H28 N2 O6 Pt | P 1 21/c 1 | 11.5142; 12.2748; 17.2202 90; 96.978; 90 | 2415.8 | Li, Zhuoheng; Ekanayake, Akalanka B.; Bartman, Anna E.; Doorn, Jonathan A.; Tivanski, Alexei V.; Pigge, Chris Detection and disaggregation of amyloid fibrils by luminescent amphiphilic platinum(II) complexes Dalton Transactions, 2024 |
7715961 | CIF | C26 H26 N2 O5 Pt | P 1 21/c 1 | 14.143; 12.3571; 14.0848 90; 107.375; 90 | 2349.2 | Li, Zhuoheng; Ekanayake, Akalanka B.; Bartman, Anna E.; Doorn, Jonathan A.; Tivanski, Alexei V.; Pigge, Chris Detection and disaggregation of amyloid fibrils by luminescent amphiphilic platinum(II) complexes Dalton Transactions, 2024 |
7715960 | CIF | C26 H25 N O4 Pt | C 1 c 1 | 15.5673; 21.225; 6.6731 90; 95.563; 90 | 2194.5 | Li, Zhuoheng; Ekanayake, Akalanka B.; Bartman, Anna E.; Doorn, Jonathan A.; Tivanski, Alexei V.; Pigge, Chris Detection and disaggregation of amyloid fibrils by luminescent amphiphilic platinum(II) complexes Dalton Transactions, 2024 |
7715959 | CIF | C50 H78 Co2 N10 O4 S2 | P 1 21/c 1 | 10.562; 14.568; 17.808 90; 98.219; 90 | 2711.9 | Datta, Amitabha; Das, Kuheli; Beyene, Belete; Massera, Chiara; Garribba, Eugenio; El Fallah, M. Salah; Frontera, Antonio; Hung, Chen-Hsiung Magnetism and DFT Interrogation of A Doubly Carboxylato Bridged Co(II) Derivative Anchored with A ‘Scorpionate’ Precursor: Potential Electrocatalyst for Heterogeneous H2 Evolution Dalton Transactions, 2024 |
7715958 | CIF | C24 H14 B4 Br2 F6 N6 O3 | P -1 | 8.1074; 10.5772; 15.807 91.309; 91.058; 99.216 | 1337.3 | Cui, Luxia; Furuta, Ryoji; Harada, Takunori; Konta, Takeru; Hoshino, Yu; Ono, Toshikazu Simultaneous Discovery of Chiral and Achiral Dyes: Elucidating the Optical Functions of Helical and Flag-Hinged Boron–Tetradentate Complexes Dalton Transactions, 2024 |
7715957 | CIF | C28 H26 B4 F8 N8 O2 | P -1 | 9.2962; 9.8661; 17.0113 84.337; 83.855; 80.627 | 1525.3 | Cui, Luxia; Furuta, Ryoji; Harada, Takunori; Konta, Takeru; Hoshino, Yu; Ono, Toshikazu Simultaneous Discovery of Chiral and Achiral Dyes: Elucidating the Optical Functions of Helical and Flag-Hinged Boron–Tetradentate Complexes Dalton Transactions, 2024 |
7715956 | CIF | C25 H16 B4 Br2 Cl2 F8 N6 O2 | P 1 21/n 1 | 7.3686; 18.9186; 21.9266 90; 91.991; 90 | 3054.8 | Cui, Luxia; Furuta, Ryoji; Harada, Takunori; Konta, Takeru; Hoshino, Yu; Ono, Toshikazu Simultaneous Discovery of Chiral and Achiral Dyes: Elucidating the Optical Functions of Helical and Flag-Hinged Boron–Tetradentate Complexes Dalton Transactions, 2024 |
7715955 | CIF | C24 H16 B4 F6 N6 O3 | P -1 | 8.4265; 10.5693; 13.8392 89.215; 85.014; 79.567 | 1207.58 | Cui, Luxia; Furuta, Ryoji; Harada, Takunori; Konta, Takeru; Hoshino, Yu; Ono, Toshikazu Simultaneous Discovery of Chiral and Achiral Dyes: Elucidating the Optical Functions of Helical and Flag-Hinged Boron–Tetradentate Complexes Dalton Transactions, 2024 |
7715954 | CIF | C24 H16 B4 F8 N6 O2 | I 41/a c d :2 | 18.914; 18.914; 27.7587 90; 90; 90 | 9930.4 | Cui, Luxia; Furuta, Ryoji; Harada, Takunori; Konta, Takeru; Hoshino, Yu; Ono, Toshikazu Simultaneous Discovery of Chiral and Achiral Dyes: Elucidating the Optical Functions of Helical and Flag-Hinged Boron–Tetradentate Complexes Dalton Transactions, 2024 |
7715953 | CIF | C35 H16 B F23 N2 | P c a 21 | 20.8363; 11.7036; 14.1501 90; 90; 90 | 3450.6 | Slesarchuk, Nikita; Ma, Enlu; Miranda-Pizarro, Juan; Heikkinen, Sami; Schollmeyer, Dieter; Nieger, Martin; Vasko, Petra; Repo, Timo On the mechanism of sp2 C-H borylation using ortho-N-substituted pyridinium cation Dalton Transactions, 2024 |
7715952 | CIF | C102 H120 Cu12 N45 O41 | P 63/m | 24.0593; 24.0593; 21.519 90; 90; 120 | 10787.4 | Pan, Ting; Wu, Yanxin; Duan, Yuefeng; Duan, Jingui Solvents regulated packing porosity of a bilayer metal-organic cage Dalton Transactions, 2024 |
7715951 | CIF | C48 H49.5 Cu6 N24 O17.5 | P 63/m | 19.3815; 19.3815; 22.13 90; 90; 120 | 7199.2 | Pan, Ting; Wu, Yanxin; Duan, Yuefeng; Duan, Jingui Solvents regulated packing porosity of a bilayer metal-organic cage Dalton Transactions, 2024 |
7715950 | CIF | C72 H67 Cu12 N39 O61 | P 63/m | 18.4268; 18.4268; 22.5112 90; 90; 120 | 6619.6 | Pan, Ting; Wu, Yanxin; Duan, Yuefeng; Duan, Jingui Solvents regulated packing porosity of a bilayer metal-organic cage Dalton Transactions, 2024 |
7715949 | CIF | C34 H37 Cl2 Fe N13 O9 | P 1 21/c 1 | 11.651; 15.699; 21.229 90; 92.15; 90 | 3880.2 | Zhang, Kenneth; Wallis, Matthew J.; Craze, Alexander R.; Hayami, Shinya; Min, Hyunsung; Fanna, Daniel John; Bhadbhade, Mohan; Tian, Ruoming; Marjo, Christopher; Lindoy, Leonard F.; Li, Feng Spin crossover of a Fe(II) mononuclear complex induced by intermolecular factors involving chloride and solvent ordering Dalton Transactions, 2024 |
7715948 | CIF | C36 H40.4 Cl2 Fe N13 O5.3 | C 1 2/c 1 | 32.45; 16.53; 20.8 90; 129.57; 90 | 8600 | Zhang, Kenneth; Wallis, Matthew J.; Craze, Alexander R.; Hayami, Shinya; Min, Hyunsung; Fanna, Daniel John; Bhadbhade, Mohan; Tian, Ruoming; Marjo, Christopher; Lindoy, Leonard F.; Li, Feng Spin crossover of a Fe(II) mononuclear complex induced by intermolecular factors involving chloride and solvent ordering Dalton Transactions, 2024 |
7715947 | CIF | C36 H45.1 Cl2 Fe N13 O5.3 | C 1 2/c 1 | 32.281; 16.537; 20.748 90; 129.08; 90 | 8598 | Zhang, Kenneth; Wallis, Matthew J.; Craze, Alexander R.; Hayami, Shinya; Min, Hyunsung; Fanna, Daniel John; Bhadbhade, Mohan; Tian, Ruoming; Marjo, Christopher; Lindoy, Leonard F.; Li, Feng Spin crossover of a Fe(II) mononuclear complex induced by intermolecular factors involving chloride and solvent ordering Dalton Transactions, 2024 |
7715946 | CIF | C36 H42.6 Cl2 Fe N13 O5.3 | C 1 2/c 1 | 32.168; 16.288; 20.562 90; 129.7; 90 | 8289 | Zhang, Kenneth; Wallis, Matthew J.; Craze, Alexander R.; Hayami, Shinya; Min, Hyunsung; Fanna, Daniel John; Bhadbhade, Mohan; Tian, Ruoming; Marjo, Christopher; Lindoy, Leonard F.; Li, Feng Spin crossover of a Fe(II) mononuclear complex induced by intermolecular factors involving chloride and solvent ordering Dalton Transactions, 2024 |
7715945 | CIF | C36 H43.6 Cl2 Fe N13 O5.3 | C 1 2/c 1 | 32.341; 16.381; 20.675 90; 129.7; 90 | 8427 | Zhang, Kenneth; Wallis, Matthew J.; Craze, Alexander R.; Hayami, Shinya; Min, Hyunsung; Fanna, Daniel John; Bhadbhade, Mohan; Tian, Ruoming; Marjo, Christopher; Lindoy, Leonard F.; Li, Feng Spin crossover of a Fe(II) mononuclear complex induced by intermolecular factors involving chloride and solvent ordering Dalton Transactions, 2024 |
7715944 | CIF | C36 H46.94 Cl2 Fe N13 O5.3 | C 1 2/c 1 | 32.213; 16.294; 20.582 90; 129.69; 90 | 8313 | Zhang, Kenneth; Wallis, Matthew J.; Craze, Alexander R.; Hayami, Shinya; Min, Hyunsung; Fanna, Daniel John; Bhadbhade, Mohan; Tian, Ruoming; Marjo, Christopher; Lindoy, Leonard F.; Li, Feng Spin crossover of a Fe(II) mononuclear complex induced by intermolecular factors involving chloride and solvent ordering Dalton Transactions, 2024 |
7715943 | CIF | C62 H48 F12 N8 Ni2 O12 S4 | P 42 | 17.8926; 17.8926; 24.3239 90; 90; 90 | 7787.2 | Schreck, Constantin; Schoenfeld, Sophie; Liebing, Phil; Hoerner, Gerald; Weber, Birgit Binucleating Jäger-type {(N2O2)2}4- ligands: Magnetic and electronic interactions of Fe(II), Ni(II) and Cu(II) across an in-plane TTF-bridge Dalton Transactions, 2024 |
7715942 | CIF | C29 H22 Cl2 N6 Ni O4 S2 | P -1 | 11.2801; 12.5636; 12.8251 90.999; 110.952; 115.653 | 1497.7 | Plyuta, Nataliya; Barra, Anne-Laure; Novitchi, Ghénadie; Avarvari, Narcis Six-coordinated nickel (II) complexes with benzothiadiazole Schiff-base ligands: synthesis, crystal structure, magnetic and HFEPR study Dalton Transactions, 2024 |
7715941 | CIF | C26 H16 N6 Ni O2 S2 | P b c n | 18.7879; 8.8858; 13.675 90; 90; 90 | 2282.98 | Plyuta, Nataliya; Barra, Anne-Laure; Novitchi, Ghénadie; Avarvari, Narcis Six-coordinated nickel (II) complexes with benzothiadiazole Schiff-base ligands: synthesis, crystal structure, magnetic and HFEPR study Dalton Transactions, 2024 |
7715931 | CIF | C63 H69 Au2 B F4 O2 P2 Rh3 | P -1 | 12.805; 15.7979; 16.7992 106.294; 101.461; 107.842 | 2950.4 | Tsurugi, Hayato; Mori, Hiroki; Mori, Haruna; Nakamoto, Masami; Tanaka, Shinji; Mashima, Kazushi Effect of Distal Metal Species on Lewis Basicity of a μ3-Oxo Ligand in Doubly Oxo-bridged (μ3-O)[Rh(COD)]3(μ4-O)M Core Dalton Transactions, 2024 |
7715930 | CIF | C48 H57 Au O2 P Rh3 | P 1 21/n 1 | 9.4939; 23.9667; 18.8664 90; 97.2108; 90 | 4258.9 | Tsurugi, Hayato; Mori, Hiroki; Mori, Haruna; Nakamoto, Masami; Tanaka, Shinji; Mashima, Kazushi Effect of Distal Metal Species on Lewis Basicity of a μ3-Oxo Ligand in Doubly Oxo-bridged (μ3-O)[Rh(COD)]3(μ4-O)M Core Dalton Transactions, 2024 |
7715926 | CIF | C26 H20 Cl3 F3 N2 O5 Pd S | P -1 | 15.5603; 15.6327; 18.9399 99.929; 96.086; 105.978 | 4305.1 | Dumitraș, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban Pablo Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity Dalton Transactions, 2024 |
7715925 | CIF | C38 H20 Cl6 F8 N2 O6 Pd2 S2 | P b c n | 22.7038; 11.4463; 16.6779 90; 90; 90 | 4334.2 | Dumitraș, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban Pablo Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity Dalton Transactions, 2024 |
7715924 | CIF | C42 H30 Cl4 F6 N4 O6 Pd2 | C 1 2/c 1 | 24.7871; 10.8791; 16.2545 90; 101.132; 90 | 4300.7 | Dumitraș, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban Pablo Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity Dalton Transactions, 2024 |
7715923 | CIF | C38 H22 Cl6 F6 N2 O6 Pd2 S2 | P b c n | 24.4713; 11.0368; 15.9675 90; 90; 90 | 4312.6 | Dumitraș, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban Pablo Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity Dalton Transactions, 2024 |
7715922 | CIF | C29 H27 Cl3 F3 N3 O5 Pd | P -1 | 12.1193; 14.8888; 18.455 89.484; 80.014; 80.67 | 3235.6 | Dumitraș, Darius; Dalmau, David; García-Orduña, Pilar; Pop, Alexandra; Silvestru, Anca; Urriolabeitia, Esteban Pablo Orthopalladated imidazolones and thiazolones: synthesis, photophysical properties and photochemical reactivity Dalton Transactions, 2024 |
7715921 | CIF | C30 H35 Co4 N5 O12 | P n n m | 19.6668; 13.8232; 13.5182 90; 90; 90 | 3675.03 | Uhlig, Felix; Stammler, Michael; Meurer, Florian; Shenderovich, Ilya G.; Blahut, Jan; Wisser, Florian M. Monitoring Structure and Coordination Chemistry of Co4O4-based Oxygen Evolution Catalysts by Nitrogen-14/-15 and Cobalt-59 NMR Spectroscopy Dalton Transactions, 2024 |
7715920 | CIF | C18 H38 N2 O6 Si2 | P 1 21/c 1 | 17.2917; 14.8352; 9.9967 90; 91.593; 90 | 2563.42 | Sonoda, Kanako; Tonai, Norimitsu; Kaneko, Yoshiro Stereoselective synthesis of different cyclic tetrasiloxane isomers depending on the superacid catalyst employed Dalton Transactions, 2024 |
7715919 | CIF | C36 H76 N4 O12 Si4 | P 1 21/n 1 | 9.6119; 22.4858; 23.6228 90; 95.304; 90 | 5083.76 | Sonoda, Kanako; Tonai, Norimitsu; Kaneko, Yoshiro Stereoselective synthesis of different cyclic tetrasiloxane isomers depending on the superacid catalyst employed Dalton Transactions, 2024 |
7715918 | CIF | C43 H62 Co0.11 N3 Ni0.89 O5 | P 1 21/c 1 | 10.70656; 15.45339; 26.9829 90; 100.621; 90 | 4387.9 | Bubnov, Michael; Zolotukhin, Alexey; Fukin, Georgii K.; Rumyantcev, Roman V.; Bogomyakov, Artem Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue. Phase transitions and monocrystals destruction Dalton Transactions, 2024 |
7715917 | CIF | C43 H62 N3 Ni O5 | P 1 21/c 1 | 10.7053; 15.476; 26.9999 90; 100.978; 90 | 4391.36 | Bubnov, Michael; Zolotukhin, Alexey; Fukin, Georgii K.; Rumyantcev, Roman V.; Bogomyakov, Artem Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue. Phase transitions and monocrystals destruction Dalton Transactions, 2024 |
7715916 | CIF | C43 H62 N3 Ni O5 | P 1 21/c 1 | 10.7157; 15.5691; 26.9871 90; 100.689; 90 | 4424.2 | Bubnov, Michael; Zolotukhin, Alexey; Fukin, Georgii K.; Rumyantcev, Roman V.; Bogomyakov, Artem Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue. Phase transitions and monocrystals destruction Dalton Transactions, 2024 |
7715915 | CIF | C43 H62 Co0.11 N3 Ni0.89 O5 | P 1 21/c 1 | 10.7426; 15.6134; 27.0073 90; 100.807; 90 | 4449.6 | Bubnov, Michael; Zolotukhin, Alexey; Fukin, Georgii K.; Rumyantcev, Roman V.; Bogomyakov, Artem Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue. Phase transitions and monocrystals destruction Dalton Transactions, 2024 |
7715914 | CIF | C43 H62 Co0.11 N3 Ni0.89 O5 | P 1 21/c 1 | 10.761; 15.6753; 27.0721 90; 100.755; 90 | 4486.4 | Bubnov, Michael; Zolotukhin, Alexey; Fukin, Georgii K.; Rumyantcev, Roman V.; Bogomyakov, Artem Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue. Phase transitions and monocrystals destruction Dalton Transactions, 2024 |
7715913 | CIF | C43 H62 Co0.2 N3 Ni0.8 O5 | P 1 21/c 1 | 10.7123; 15.4635; 26.9889 90; 100.441; 90 | 4396.68 | Bubnov, Michael; Zolotukhin, Alexey; Fukin, Georgii K.; Rumyantcev, Roman V.; Bogomyakov, Artem Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue. Phase transitions and monocrystals destruction Dalton Transactions, 2024 |
7715912 | CIF | C43 H62 Co0.2 N3 Ni0.8 O5 | P 1 21/c 1 | 10.7388; 15.6003; 26.9877 90; 100.788; 90 | 4441.3 | Bubnov, Michael; Zolotukhin, Alexey; Fukin, Georgii K.; Rumyantcev, Roman V.; Bogomyakov, Artem Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue. Phase transitions and monocrystals destruction Dalton Transactions, 2024 |
7715911 | CIF | C43 H62 Co0.2 N3 Ni0.8 O5 | P 1 21/c 1 | 10.7509; 15.6732; 26.9924 90; 100.866; 90 | 4466.7 | Bubnov, Michael; Zolotukhin, Alexey; Fukin, Georgii K.; Rumyantcev, Roman V.; Bogomyakov, Artem Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue. Phase transitions and monocrystals destruction Dalton Transactions, 2024 |
7715910 | CIF | C43 H62 Co0.5 N3 Ni0.5 O5 | P 1 21/c 1 | 10.7499; 15.705; 26.8932 90; 101.056; 90 | 4456.04 | Bubnov, Michael; Zolotukhin, Alexey; Fukin, Georgii K.; Rumyantcev, Roman V.; Bogomyakov, Artem Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue. Phase transitions and monocrystals destruction Dalton Transactions, 2024 |
7715909 | CIF | C26.2 H36.8 Cl Fe P Pd | R -3 :H | 30.9968; 30.9968; 12.8371 90; 90; 120 | 10681.5 | Skoch, Karel; Antala, Jakub; Cisarova, Ivana; Štěpnička, Petr Synthesis and catalytic properties of palladium(II) complexes with P,π-chelating ferrocene phosphinoallyl ligands and their non tethered analogues Dalton Transactions, 2024 |
7715908 | CIF | C25 H22 Cl Fe P Pd | P 1 21/c 1 | 11.4818; 9.5626; 19.8586 90; 100.978; 90 | 2140.5 | Skoch, Karel; Antala, Jakub; Cisarova, Ivana; Štěpnička, Petr Synthesis and catalytic properties of palladium(II) complexes with P,π-chelating ferrocene phosphinoallyl ligands and their non tethered analogues Dalton Transactions, 2024 |
7715907 | CIF | C34 H30 Cd Cl N5 O12 | P 1 21/c 1 | 13.692; 18.1108; 18.0526 90; 131.224; 90 | 3367 | Huang, Li; Li, Xiaonan; Shen, Yuan; Hua, Yang; Song, Run-Hong; Cui, Wen-Bo; Li, Zi-Yi; Zhang, Hong Tunable Photo/Thermochromic Properties of Cd(II)-Viologen Coordination Polymers Modulated by Coordination Modes for Flexible Imager Film and Anti-counterfeiting Dalton Transactions, 2024 |
7715906 | CIF | C68 H54 Cd4 N4 O25 | P 1 21/c 1 | 9.48; 21.078; 17.495 90; 104.272; 90 | 3387.9 | Huang, Li; Li, Xiaonan; Shen, Yuan; Hua, Yang; Song, Run-Hong; Cui, Wen-Bo; Li, Zi-Yi; Zhang, Hong Tunable Photo/Thermochromic Properties of Cd(II)-Viologen Coordination Polymers Modulated by Coordination Modes for Flexible Imager Film and Anti-counterfeiting Dalton Transactions, 2024 |
7715905 | CIF | C33.998 H33.998 Cu2 Dy N7 O16 | P 1 21/n 1 | 10.2493; 21.151; 18.4526 90; 101.83; 90 | 3915.2 | Bhunia, Pradip; Maity, Souvik; Ghosh, Tanmoy Kumar; Mondal, Arpan; Mayans, Julia; Ghosh, Ashutosh Cu(II)-Ln(III) (Ln = Gd, Tb and Dy) complexes of an unsymmetrical N2O3 donor ligand: Field induced SMM behaviour for Cu(II)-Tb(III) complex Dalton Transactions, 2024 |
7715904 | CIF | C33.998 H33.998 Cu2 N7 O16 Tb | P 1 21/n 1 | 10.203; 21.1661; 18.4262 90; 102.026; 90 | 3891.9 | Bhunia, Pradip; Maity, Souvik; Ghosh, Tanmoy Kumar; Mondal, Arpan; Mayans, Julia; Ghosh, Ashutosh Cu(II)-Ln(III) (Ln = Gd, Tb and Dy) complexes of an unsymmetrical N2O3 donor ligand: Field induced SMM behaviour for Cu(II)-Tb(III) complex Dalton Transactions, 2024 |
7715903 | CIF | C18 H20 Cu Gd N5 O13 | P 1 21/c 1 | 10.341; 13.39; 17.753 90; 93.587; 90 | 2453.4 | Bhunia, Pradip; Maity, Souvik; Ghosh, Tanmoy Kumar; Mondal, Arpan; Mayans, Julia; Ghosh, Ashutosh Cu(II)-Ln(III) (Ln = Gd, Tb and Dy) complexes of an unsymmetrical N2O3 donor ligand: Field induced SMM behaviour for Cu(II)-Tb(III) complex Dalton Transactions, 2024 |
7715902 | CIF | C30 H22 N6 Ni | F d d 2 | 56.2329; 39.4759; 8.4977 90; 90; 90 | 18863.6 | Cabrera-Lobera, Natalia; del Horno, Estefania; Quiros, M. Teresa; Buñuel, Elena; Gimeno, Magali; Brennessel, William W.; Neidig, Michael L.; Priego, Jose Luis; Cardenas, Diego J. Ni(2,2’:6’,2’’-terpyridine)2: A high-spin octahedral formal Ni(0) complex Dalton Transactions, 2024 |
7715901 | CIF | C24 H19 Fe N11 O2 Pt | P -1 | 9.2213; 10.5204; 15.0384 95.003; 93.519; 116.499 | 1292.4 | Alexandru, Maria-Gabriela; Visinescu, Diana; Shylin, Sergii I.; Shova, Sergiu; Novitchi, Ghénadie; Popescu, Delia-Laura New cyanido-bridged iron(II) spin crossover coordination polymers with unusual ladder-like topology: an alternative to Hofmann clathrates Dalton Transactions, 2024 |
7715900 | CIF | C40 H31 Fe N16 O3.5 Pt | P -1 | 9.75831; 11.66423; 18.0933 102.369; 92.7038; 102.372 | 1955.54 | Alexandru, Maria-Gabriela; Visinescu, Diana; Shylin, Sergii I.; Shova, Sergiu; Novitchi, Ghénadie; Popescu, Delia-Laura New cyanido-bridged iron(II) spin crossover coordination polymers with unusual ladder-like topology: an alternative to Hofmann clathrates Dalton Transactions, 2024 |
7715899 | CIF | C40 H31.33 Fe N16 O3.17 Pd | P -1 | 9.84; 11.7209; 18.2393 101.995; 93.012; 102.09 | 2001.9 | Alexandru, Maria-Gabriela; Visinescu, Diana; Shylin, Sergii I.; Shova, Sergiu; Novitchi, Ghénadie; Popescu, Delia-Laura New cyanido-bridged iron(II) spin crossover coordination polymers with unusual ladder-like topology: an alternative to Hofmann clathrates Dalton Transactions, 2024 |
7715898 | CIF | C24 H19 Fe N11 O2 Pd | P -1 | 9.1702; 10.393; 15.0356 94.756; 94.062; 115.99 | 1274.41 | Alexandru, Maria-Gabriela; Visinescu, Diana; Shylin, Sergii I.; Shova, Sergiu; Novitchi, Ghénadie; Popescu, Delia-Laura New cyanido-bridged iron(II) spin crossover coordination polymers with unusual ladder-like topology: an alternative to Hofmann clathrates Dalton Transactions, 2024 |
7715897 | CIF | C24 H19 Fe N11 O2 Pd | P -1 | 9.2277; 10.525; 15.0648 94.888; 93.429; 116.505 | 1296.7 | Alexandru, Maria-Gabriela; Visinescu, Diana; Shylin, Sergii I.; Shova, Sergiu; Novitchi, Ghénadie; Popescu, Delia-Laura New cyanido-bridged iron(II) spin crossover coordination polymers with unusual ladder-like topology: an alternative to Hofmann clathrates Dalton Transactions, 2024 |
7715896 | CIF | C33 H33 Co F6 La N4 O12 S2 | P 1 21/n 1 | 13.4835; 12.9504; 22.0541 90; 93.32; 90 | 3844.55 | Musgrave, Rebecca A.; Thompson, Benedict C.; Graycon, Daniel; Hebron, Denny; Neumann, Till; Roessler, Maxie; Collauto, Alberto; Wilson, Daniel Heterobimetallic 3d-4f complexes supported by a Schiff-base tripodal ligand Dalton Transactions, 2024 |
7715895 | CIF | C32 H33 F3 La N4 Na O9 S | P 1 21/n 1 | 16.067; 13.0765; 16.7696 90; 101.815; 90 | 3448.65 | Musgrave, Rebecca A.; Thompson, Benedict C.; Graycon, Daniel; Hebron, Denny; Neumann, Till; Roessler, Maxie; Collauto, Alberto; Wilson, Daniel Heterobimetallic 3d-4f complexes supported by a Schiff-base tripodal ligand Dalton Transactions, 2024 |
7715894 | CIF | C33 H33 F6 La Mn N4 O12 S2 | P 1 21/n 1 | 16.0537; 13.0153; 19.075 90; 99.748; 90 | 3928.06 | Musgrave, Rebecca A.; Thompson, Benedict C.; Graycon, Daniel; Hebron, Denny; Neumann, Till; Roessler, Maxie; Collauto, Alberto; Wilson, Daniel Heterobimetallic 3d-4f complexes supported by a Schiff-base tripodal ligand Dalton Transactions, 2024 |
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