Crystallography Open Database

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Searching journal of publication like 'IUCrJ' volume of publication is 9

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1566492 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566493 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566494 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566495 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566496 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566497 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566498 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566499 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566500 CIFC5 H12 O5P 21 21 218.264; 8.901; 8.9223
90; 90; 90
656.3Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566501 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566502 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566503 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566504 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566505 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566506 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566507 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566508 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566509 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566510 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566511 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566512 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566513 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566514 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566515 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566516 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566517 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566518 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566519 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566520 CIFC H4 N2 OP -4 21 m5.578; 5.578; 4.686
90; 90; 90
145.8Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar
Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions
IUCrJ, 2022, 9, 286-297
1566581 CIF
Paper
C68.39 H67.65 Cl6 N12 O4 Zn3C 1 2/c 133.3132; 14.4948; 31.7714
90; 102.245; 90
14992.4Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael
The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges
IUCrJ, 2022, 9
1566582 CIFC68.62 H68.92 Cl6 N12 O4 Zn3C 1 2/c 133.306; 14.488; 31.8026
90; 102.247; 90
14996.7Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael
The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges
IUCrJ, 2022, 9
1566583 CIFC54.5 H43 I6 N12 O4 Zn3C 1 2/c 134.4866; 14.9746; 31.0009
90; 101.933; 90
15663.6Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael
The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges
IUCrJ, 2022, 9
1566584 CIFC55 H42 I6 N12 O4 Zn3C 1 2/c 134.4862; 15.0052; 31.125
90; 101.958; 90
15756.8Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael
The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges
IUCrJ, 2022, 9
1566585 CIFC63 H78 I6 N12 Zn3C 1 2/c 134.5713; 15.1587; 29.5198
90; 100.649; 90
15203.6Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael
The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges
IUCrJ, 2022, 9
1566586 CIFC64.69 H81.39 I6 N12 Zn3C 1 2/c 134.595; 15.1725; 29.535
90; 100.647; 90
15235.8Meurer, Florian; von Essen, Carolina; Kühn, Clemens; Puschmann, Horst; Bodensteiner, Michael
The benefits of Cu Kβ radiation for the single-crystal X-ray structure determination of crystalline sponges
IUCrJ, 2022, 9
1566971 CIFC20 H10 F2 N2 O2P 1 21/c 113.6961; 3.76836; 28.7891
90; 105.163; 90
1434.1Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U.
Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D
IUCrJ, 2022, 9
1566972 CIFC20 H10 F2 N2 O2P 1 21/c 114.2172; 3.76778; 13.7038
90; 102.504; 90
716.66Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U.
Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D
IUCrJ, 2022, 9
1566973 CIFC20 H10 F2 N2 O2P -13.8854; 7.0333; 14.1014
102.713; 86.084; 105.939
361.44Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U.
Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D
IUCrJ, 2022, 9
1566974 CIFC20 H10 F2 N2 O2P 1 21/c 114.3352; 3.77265; 27.374
90; 103.686; 90
1438.4Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U.
Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D
IUCrJ, 2022, 9
1566975 CIFC20 H10 F2 N2 O2P 1 21/c 114.166; 3.758; 13.762
90; 103.09; 90
713.6Schlesinger, Carina; Fitterer, Arnd; Buchsbaum, Christian; Habermehl, Stefan; Chierotti, Michele R.; Nervi, Carlo; Schmidt, Martin U.
Ambiguous structure determination from powder data: four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns, fit to the PDF, SSNMR and DFT-D
IUCrJ, 2022, 9
1567020 CIFC18 H11 Br1.5 N5P -17.2378; 7.7475; 17.8746
83.578; 83.241; 67.104
914.53Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka
Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals
IUCrJ, 2022, 9
1567021 CIFC31 H10 N9P 1 21/c 113.2712; 12.5807; 7.7388
90; 90.466; 90
1292.03Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka
Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals
IUCrJ, 2022, 9
1567022 CIFC31 H10 N9P 1 21/c 113.3766; 12.8023; 7.7861
90; 90.396; 90
1333.35Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka
Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals
IUCrJ, 2022, 9
1567023 CIFC30 H15 I N9P 17.168; 7.6291; 13.6797
78.422; 83.441; 69.68
686.44Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka
Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals
IUCrJ, 2022, 9
1567024 CIFC31 H16 Br2 N9P -18.0361; 13.0398; 14.2071
92.624; 98.576; 104.767
1418Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka
Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals
IUCrJ, 2022, 9
1567025 CIFC31 H17 N9P 1 21/c 113.0864; 25.3377; 7.8403
90; 92.651; 90
2596.9Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka
Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals
IUCrJ, 2022, 9
1567026 CIFC48 H26 N14P -17.8212; 9.7542; 13.2653
78.103; 75.829; 82.246
956.32Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka
Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals
IUCrJ, 2022, 9
1567027 CIFC36 H22 Br2 I N10P -17.5693; 13.03; 18.5239
105.159; 90.971; 98.382
1741.66Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka
Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals
IUCrJ, 2022, 9
1567028 CIFC30 H14 Br2 N9P -16.6911; 7.8201; 27.6491
97.673; 90.168; 108.973
1354.23Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka
Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals
IUCrJ, 2022, 9
1567029 CIFC30 H16 N9P -17.7274; 13.1422; 13.3145
99.902; 106.251; 97.225
1256.99Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka
Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals
IUCrJ, 2022, 9

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