Crystallography Open Database

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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
1566610 CIFCl Ga6 K3 Mn2 S12P 3 1 c10.9208; 10.9208; 6.1774
90; 90; 120
638.04Liu, Bin-Wen; Pei, Shao-Min; Jiang, Xiao-Ming; Guo, Guo-Cong
Broad transparency and wide band gap achieved in a magnetic infrared nonlinear optical chalcogenide by suppressing d-d transitions.
Materials horizons, 2022, 9, 1513-1517
1566920 CIFC30 H28 O4P -110.891; 11.4276; 11.5284
116.793; 90.271; 101.247
1249.11Zhang, Qiao; Wang, Wenbo; Cai, Changyong; Wu, Shuanggen; Li, Jialing; Li, Fenfang; Dong, Shengyi
Underwater luminescent labeling materials constructed from a supramolecular approach.
Materials horizons, 2022, 9, 1984-1991
1566921 CIFC30 H28 O4P -17.8756; 11.8787; 13.8525
84.512; 84.625; 71.646
1221.59Zhang, Qiao; Wang, Wenbo; Cai, Changyong; Wu, Shuanggen; Li, Jialing; Li, Fenfang; Dong, Shengyi
Underwater luminescent labeling materials constructed from a supramolecular approach.
Materials horizons, 2022, 9, 1984-1991
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 CIFC36 H22 Br3 N10P -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
1567030 CIFC29 H8 N9P -17.2867; 7.7545; 13.1305
92.616; 103.414; 113.979
651.19Molčanov, 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
1567031 CIFC36 H16 N10P -17.1249; 7.6572; 14.4249
89.017; 83.589; 68.34
726.6Molčanov, 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
1567032 CIFC36 H16 N10P -17.2179; 7.6887; 14.5445
89.176; 82.57; 69.284
748.2Molčanov, 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
1567033 CIFC15 H9 N5P -17.0634; 7.8154; 13.468
73.628; 89.55; 67.258
653.56Molčanov, 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
1567034 CIFC15 H9 N5P -17.1924; 7.8489; 13.617
106.174; 90.739; 112.525
675.74Molčanov, 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
1567035 CIFC37 H20 N9 OP -19.1474; 11.3666; 15.9321
106.234; 91.277; 99.804
1562.98Molčanov, 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
1567036 CIFC16 H8 N5P -17.5381; 8.013; 13.3368
103.618; 90.811; 115.727
699.07Molčanov, 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
1567037 CIFC30 H15 I N9P 17.0735; 7.8171; 13.8419
74.353; 88.928; 67.934
680.1Molčanov, 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
1567090 CIFC12 H6 Ga O5P 42/n m c :221.57; 21.57; 6.7
90; 90; 90
3117.3Samperisi, Laura; Zou, Xiaodong; Huang, Zhehao
How to get maximum structure information from anisotropic displacement parameters obtained by three-dimensional electron diffraction: an experimental study on metal–organic frameworks
IUCrJ, 2022, 9
1567116 CIF
Paper
C25.5 H26 N2 O9 SP 41 21 212.9189; 12.9189; 29.4056
90; 90; 90
4907.74Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms
IUCrJ, 2022, 9
1567117 CIF
Paper
C51 H53 N4 O18 S2P 41 21 212.917; 12.917; 29.3859
90; 90; 90
4903Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms
IUCrJ, 2022, 9
1567118 CIF
Paper
C25.5 H25.5 N2 O8.5 SP 41 21 212.9076; 12.9076; 29.467
90; 90; 90
4909.38Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms
IUCrJ, 2022, 9
1567119 CIF
Paper
C25.5 H28 N2 O7.5 SP 41 21 212.8885; 12.8885; 29.5227
90; 90; 90
4904.12Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms
IUCrJ, 2022, 9
1567120 CIF
Paper
C25 H26.5 Br0.5 N2 O7 SP 41 21 212.8625; 12.8625; 29.5499
90; 90; 90
4888.85Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms
IUCrJ, 2022, 9
1567121 CIF
Paper
C33.33 H35.33 Cl0.67 N2.67 O9.33 S1.33P 41 21 212.8788; 12.8788; 29.3261
90; 90; 90
4864.13Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms
IUCrJ, 2022, 9
1567122 CIF
Paper
C50 H48 F6 N4 O14 S2P 41 21 212.8425; 12.8425; 29.4534
90; 90; 90
4857.74Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms
IUCrJ, 2022, 9
1567123 CIF
Paper
C50 H53 I N4 O14 S2P 41 21 212.9104; 12.9104; 29.4495
90; 90; 90
4908.6Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms
IUCrJ, 2022, 9
1567124 CIF
Paper
C53 H60 N4 O14 S2P 41 21 213.2792; 13.2792; 28.2737
90; 90; 90
4985.7Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms
IUCrJ, 2022, 9
1567125 CIF
Paper
C26 H29 N2 O7 SP 41 21 212.9696; 12.9696; 29.2499
90; 90; 90
4920.14Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms
IUCrJ, 2022, 9
1567126 CIF
Paper
C50 H52 N6 O15 S2P 41 21 212.8876; 12.8876; 29.4547
90; 90; 90
4892.14Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms
IUCrJ, 2022, 9
1567127 CIF
Paper
C50 H53 N5 O16 S2P 41 21 212.9268; 12.9268; 29.3204
90; 90; 90
4899.5Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms
IUCrJ, 2022, 9
1567128 CIF
Paper
C26 H30.5 N2 O7 SP 41 21 213.185; 13.185; 28.593
90; 90; 90
4970.73Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms
IUCrJ, 2022, 9
1567129 CIF
Paper
C51 H53 N4 O17 S2P 41 21 212.9133; 12.9133; 29.3418
90; 90; 90
4892.84Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms
IUCrJ, 2022, 9
1567130 CIF
Paper
C51 H54 F3 N4 O14 S2P 41 21 212.9492; 12.9492; 29.6806
90; 90; 90
4976.9Jirát, Jan; Babor, Martin; Ridvan, Luděk; Skořepová, Eliška; Dušek, Michal; Šoóš, Miroslav
Structure–property relations of a unique and systematic dataset of 19 isostructural multicomponent apremilast forms
IUCrJ, 2022, 9
1567346 CIFH2 OP 42/n m c :26.1732; 6.1732; 5.6881
90; 90; 90
216.76Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement
IUCrJ, 2022, 9
1567347 CIFH2 OP 42/n m c :26.1732; 6.1732; 5.6881
90; 90; 90
216.76Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement
IUCrJ, 2022, 9
1567348 CIFH2 OP 42/n m c :26.1732; 6.1732; 5.6881
90; 90; 90
216.76Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement
IUCrJ, 2022, 9
1567349 CIFH2 OP 42/n m c :26.1711; 6.1711; 5.6747
90; 90; 90
216.11Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement
IUCrJ, 2022, 9
1567350 CIFH2 OP 42/n m c :26.1711; 6.1711; 5.6747
90; 90; 90
216.11Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement
IUCrJ, 2022, 9
1567351 CIFH2 OP 42/n m c :26.1918; 6.1918; 5.7067
90; 90; 90
218.79Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement
IUCrJ, 2022, 9
1567352 CIFH2 OP 42/n m c :26.1918; 6.1918; 5.7067
90; 90; 90
218.79Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement
IUCrJ, 2022, 9
1567353 CIFH2 OP 42/n m c :26.1737; 6.1737; 5.6843
90; 90; 90
216.65Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement
IUCrJ, 2022, 9
1567354 CIFH2 OP 42/n m c :26.1737; 6.1737; 5.6843
90; 90; 90
216.65Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement
IUCrJ, 2022, 9
1567355 CIFH2 OP 42/n m c :26.1665; 6.1665; 5.6756
90; 90; 90
215.82Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement
IUCrJ, 2022, 9
1567356 CIFH2 OP 42/n m c :26.1665; 6.1665; 5.6756
90; 90; 90
215.82Chodkiewicz, Michal L.; Gajda, Roman; Lavina, Barbara; Tkachev, Sergey; Prakapenka, Vitali B.; Dera, Przemyslaw; Wozniak, Krzysztof
Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement
IUCrJ, 2022, 9
1567357 CIF
Paper
C6 Mo O6P n m a11.74147; 11.22116; 6.35094
90; 90; 90
836.755Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567358 CIF
Paper
C6 Mo O6P n m a11.74147; 11.22116; 6.35094
90; 90; 90
836.755Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567359 CIF
Paper
C6 Mo O6P n m a11.74147; 11.22116; 6.35094
90; 90; 90
836.755Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567360 CIF
Paper
C6 Mo O6P n m a11.78656; 11.2619; 6.3733
90; 90; 90
845.986Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567361 CIF
Paper
C6 Mo O6P n m a11.78656; 11.2619; 6.3733
90; 90; 90
845.986Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567362 CIF
Paper
C6 Mo O6P n m a11.78656; 11.2619; 6.3733
90; 90; 90
845.986Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567363 CIF
Paper
C6 Mo O6P n m a11.7976; 11.2734; 6.3799
90; 90; 90
848.52Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567364 CIF
Paper
C6 Mo O6P n m a11.7976; 11.2734; 6.3799
90; 90; 90
848.52Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567365 CIF
Paper
C6 Mo O6P n m a11.7976; 11.2734; 6.3799
90; 90; 90
848.52Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567366 CIF
Paper
C6 Mo O6P n m a11.80112; 11.27663; 6.38185
90; 90; 90
849.277Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567367 CIF
Paper
C6 Mo O6P n m a11.80112; 11.27663; 6.38185
90; 90; 90
849.277Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567368 CIF
Paper
C6 Mo O6P n m a11.80112; 11.27663; 6.38185
90; 90; 90
849.277Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567369 CIF
Paper
C6 Mo O6P n m a11.80973; 11.28599; 6.38709
90; 90; 90
851.3Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567370 CIF
Paper
C6 Mo O6P n m a11.80973; 11.28599; 6.38709
90; 90; 90
851.3Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567371 CIF
Paper
C6 Mo O6P n m a11.80973; 11.28599; 6.38709
90; 90; 90
851.3Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567372 CIF
Paper
C6 Mo O6P n m a11.82125; 11.2974; 6.39402
90; 90; 90
853.917Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567373 CIF
Paper
C6 Mo O6P n m a11.82125; 11.2974; 6.39402
90; 90; 90
853.917Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567374 CIF
Paper
C6 Mo O6P n m a11.82125; 11.2974; 6.39402
90; 90; 90
853.917Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567375 CIF
Paper
C6 Mo O6P n m a11.8622; 11.33684; 6.41647
90; 90; 90
862.886Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567376 CIF
Paper
C6 Mo O6P n m a11.8622; 11.33684; 6.41647
90; 90; 90
862.886Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567377 CIF
Paper
C6 Mo O6P n m a11.8622; 11.33684; 6.41647
90; 90; 90
862.886Meurer, Florian; Dolomanov, Oleg V.; Hennig, Christoph; Peyerimhoff, Norbert; Kleemiss, Florian; Puschmann, Horst; Bodensteiner, Michael
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations
IUCrJ, 2022, 9
1567388 CIFC12 H22 N O3P 1 21/m 15.8166; 11.4718; 9.5696
90; 103.897; 90
619.86Wang, Zhaoyu; Zou, Xinhui; Xie, Yi; Zhang, Haoke; Hu, Lianrui; Chan, Christopher C. S.; Zhang, Ruoyao; Guo, Jing; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Williams, Ian D.; Zeng, Zebing; Wong, Kam Sing; Sherrill, C. David; Ye, Ruquan; Tang, Ben Zhong
A nonconjugated radical polymer with stable red luminescence in the solid state.
Materials horizons, 2022, 9, 2564-2571
1567481 CIFC48 H30 B N3P 1 21/c 114.234; 19.457; 12.568
90; 100.195; 90
3425.8He, Shuang; Liu, Junjie; Yang, Ge; Bin, Zhengyang; You, Jingsong
Dipole moment engineering enables universal B-N-embedded bipolar hosts for OLEDs: an old dog learns a new trick.
Materials horizons, 2022, 9, 2818-2823
1567482 CIFC54 H42 B N3C 1 2/c 127.5838; 9.1201; 19.3361
90; 124.586; 90
4004.7He, Shuang; Liu, Junjie; Yang, Ge; Bin, Zhengyang; You, Jingsong
Dipole moment engineering enables universal B-N-embedded bipolar hosts for OLEDs: an old dog learns a new trick.
Materials horizons, 2022, 9, 2818-2823
1568223 CIFMg P2 SiI -4 2 d5.7156; 5.7156; 10.074
90; 90; 90
329.1Chen, Jindong; Wu, Qingchen; Tian, Haotian; Jiang, Xiaotian; Xu, Feng; Zhao, Xin; Lin, Zheshuai; Luo, Min; Ye, Ning
Uncovering a Vital Band Gap Mechanism of Pnictides.
Advanced science (Weinheim, Baden-Wurttemberg, Germany), 2022, 9, e2105787
1568387 CIFCu26 Ge6 S32 V2P -4 3 n10.58518; 10.58518; 10.58518
90; 90; 90
1186.03Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E.
'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive "Cu-S" network'
Advanced Energy Materials, 2019, 9, 1803249-1803249
1568388 CIFCr2 Cu26 Ge6 S32P -4 3 n10.55237; 10.55237; 10.55237
90; 90; 90
1175.03Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E.
'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive "Cu-S" network'
Advanced Energy Materials, 2019, 9, 1803249-1803249
1568389 CIFCu26 Ge6 Mo2 S32P -4 3 n10.59748; 10.59748; 10.59748
90; 90; 90
1190.17Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E.
'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive "Cu-S" network'
Advanced Energy Materials, 2019, 9, 1803249-1803249
1568390 CIFCu26 Ge6 S32 W2P -4 3 n10.6098; 10.6098; 10.6098
90; 90; 90
1194.32Pavan Kumar, V.; Supka, A.R.; Lemoine, P.; Lebedev, O.I.; Raveau, B.; Suekuni, K.; Nassif, V.; Al Rahal Al Orabi, R.; Fornari, M.; Guilmeau, E.
'High power factors of thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W): toward functionalization of the conductive "Cu-S" network'
Advanced Energy Materials, 2019, 9, 1803249-1803249
1568785 CIFC55 H49 Cl3 Dy N6 O6 S4 Se20C m c 2119.9823; 13.8784; 29.3863
90; 90; 90
8149.5Wan, Qingyun; Wakizaka, Masanori; Zhang, Haitao; Shen, Yongbing; Funakoshi, Nobuto; Che, Chi-Ming; Takaishi, Shinya; Yamashita, Masahiro
A New Organic Conductor of Tetramethyltetraselenafulvalene (TMTSF) with a Magnetic Dy(III) Complex
Magnetochemistry, 2023, 9, 77
1569460 CIFC18 H22 B2 Cu3 F8 N12 OP 1 21/c 116.4768; 10.4768; 17.6691
90; 107.092; 90
2915.4Cañón-Mancisidor, Walter; Hermosilla-Ibáñez, Patricio; Spodine, Evgenia; Paredes-García, Verónica; Gómez-García, Carlos J.; Venegas-Yazigi, Diego
Spin Frustrated Pyrazolato Triangular CuII Complex: Structure and Magnetic Properties, an Overview
Magnetochemistry, 2023, 9, 155
1569461 CIFFe Na7 Ni3 O28 P8P -16.3677; 9.3316; 10.8478
65.191; 80.533; 73.042
559El Arni, Sirine; Hadouchi, Mohammed; Assani, Abderrazzak; Saadi, Mohamed; El Marssi, Mimoun; Lahmar, Abdelilah; El Ammari, Lahcen
Structural and Magnetic Investigations of the Novel Pyrophosphate Na7Ni3Fe(P2O7)4
Magnetochemistry, 2023, 9, 162
1570704 CIF
Paper
C9 H10 O TeP 21 21 213.6947; 23.467; 5.2287
90; 90; 90
1680.4Ponzo, Samantha; Turner, Alanna; Fronczek, Frank R.; Junk, Thomas
5,6-Dimethylbenzo[d][1,3]oxatellurole
IUCrData, 2024, 9, x231076
1570705 CIF
Paper
C5 H10 O3P b c a10.9589; 9.328; 12.7255
90; 90; 90
1300.86Dasi, Lukhanyo; Hosten, Eric Cyriel; Betz, Richard
rac-Hydroxyisovaleric acid
IUCrData, 2024, 9, x231093
1570750 CIFC13 H21 N3 SP -17.9583; 11.2703; 16.008
83.0428; 86.9392; 76.5236
1385.51Oliveira, Adriano Bof de; Bresolin, Leandro; Beck, Johannes; Daniels, Jörg
N-Methyl-2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide
IUCrData, 2024, 9, x240013
1570778 CIF
Paper
C14 H12 Cl2 N2 O2 ZnC 1 2/c 114.7877; 9.9287; 9.523
90; 95.233; 90
1392.36Rose, Nalani P.; Arman, Hadi D.; Adrian, Rafael A.
Dichlorido(4,7-dimethoxy-1,10-phenanthroline-κ2 N,N′)zinc(II)
IUCrData, 2024, 9, x240037
1570779 CIF
Paper
C18 H26 Cl2 N2 PdP 21 21 216.5385; 16.7263; 19.0096
90; 90; 90
2078.98Hernández Téllez, Guadalupe; Moreno Morales, Gloria E.; Sharma, Pankaj; Gonzalez, Rodary; Anzaldo, Bertin
trans-Dichloridobis[(S)-(−)-1-(4-methylphenyl)ethylamine-κN]palladium(II)
IUCrData, 2024, 9, x240036
1570809 CIF
Paper
C28 H30 Mn N8 O20P 1 21/n 17.0419; 19.2513; 12.7175
90; 100.513; 90
1695.12Narmanova, Feruza S.; Turaev, Khayit Kh.; Ibragimov, Aziz B.; Ashurov, Jamshid M.
Synthesis and structure of trans-bis(4-amino-3-nitrobenzoato-κO)bis(4-amino-3-nitrobenzoic acid-κO)diaquamanganese(II) dihydrate
IUCrData, 2024, 9, x240040
1570810 CIF
Paper
C52 H52 Fe N3 O S4P -112.4019; 14.8205; 14.9762
105.936; 113.662; 94.486
2368.2Selvakumar, Jayaraman; Arumugam, Kuppuswamy
Bis[1,3-bis(2,4,6-trimethylphenyl)imidazolium] bis(μ-cis-1,2-diphenylethene-1,2-dithiolato-κ2 S,S′:κS)bis[(cis-1,2-diphenylethene-1,2-dithiolato-κ2 S,S′)iron(III)] dimethylformamide disolvate
IUCrData, 2023, 9, x231083
1570811 CIF
Paper
C Ni2 Ti4F d -3 m :211.3235; 11.3235; 11.3235
90; 90; 90
1451.92Liu, Huizi; Liang, Xinyu; Liu, Yibo; Fan, Changzeng; Wen, Bin; Zhang, Lifeng
Crystal structure of Ti4Ni2C
IUCrData, 2024, 9, x240043
1570858 CIF
Paper
C44 H36 F6 N10 Ni O7 S2P 1 21 112.1089; 13.3568; 14.0513
90; 98.955; 90
2244.9Ruiz, Sarah E.; Arman, Hadi D.; Adrian, Rafael A.
Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ3 N,N′,N′′]nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate
IUCrData, 2024, 9, x240088
1570967 CIF
Paper
C28 H24 F6 N6 O8 Ru S2P 1 21/c 19.7878; 26.2103; 12.6443
90; 97.202; 90
3218.19Faubert, Liam; Arman, Hadi D.; Adrian, Rafael A.
Aquabis(2,2′-bipyridine-κ2 N,N′)(isonicotinamide-κN)ruthenium(II) bis(trifluoromethanesulfonate)
IUCrData, 2024, 9, x240114
1570968 CIF
Paper
C24 H20 F6 N4 O8 Pd S2P 1 21/c 114.434; 13.9644; 14.2126
90; 102.536; 90
2796.43Vargas, Brittney B.; Arman, Hadi D.; Adrian, Rafael A.
(2,2′-Bipyridine-κ2 N,N′)(4,4′-dimethoxy-2,2′-bipyridine-κ2 N,N′)palladium(II) bis(trifluoromethanesulfonate)
IUCrData, 2024, 9, x240109
1570997 CIF
Paper
C30 H25 N OF d d 227.8745; 83.475; 7.5368
90; 90; 90
17536.8Zhu., Xiaoming; Jiang, Zhen; Liu, Zhiqiang
1-Ethyl-3,3-dimethylspiro[indoline-2,8′-phenaleno[1,9-fg]chromene]
IUCrData, 2024, 9, x240137
1571038 CIF
Paper
C30 H30 N6 O10 Zn2P -18.3549; 9.3366; 12.3971
69.409; 75.524; 65.217
815.89Crundwell, Guy; Crundwell, Nigel E.; Westcott, Barry L.
Bis[μ-bis(pyridin-2-yl)methanone oxime-κ3 N:,N′,N′′]bis[diacetato-κ2 O,O′;κO-zinc(II)]
IUCrData, 2024, 9, x240122
1571068 CIF
Paper
C14 H12 O4P c a 2113.7387; 20.547; 8.4283
90; 90; 90
2379.2Moodley, Cresten; Muller, Alfred; Belay, Yonas H.
Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate
IUCrData, 2024, 9, x240163
1571164 CIF
Paper
C6 H17 Br3 N2 OP 32 2 19.5838; 9.5838; 23.227
90; 90; 120
1847.56Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej
Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph.
IUCrJ, 2022, 9, 544-550
1571165 CIFC6 H17 Br3 N2 OP 3 c 116.0425; 16.0425; 7.9666
90; 90; 120
1775.61Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej
Metal-free enantiomorphic perovskite [dabcoH<sub>2</sub>]<sup>2+</sup>[H<sub>3</sub>O]<sup>+</sup>Br<sup>-</sup> <sub>3</sub> and its one-dimensional polar polymorph.
IUCrJ, 2022, 9, 544-550
1571166 CIF
Paper
C13 H10 F N O2P -19.955; 10.006; 11.332
89.415; 78.013; 78.901
1082.99Li, Jingxi; Long, Sihui
4-Fluoro-2-(phenylamino)benzoic acid
IUCrData, 2024, 9, x240197
1571167 CIF
Paper
Nd0.67 O4 WI 41/a :25.3048; 5.3048; 11.4999
90; 90; 90
323.62Knies, Benjamin; Hartenbach, Ingo
Crystal structure of defect scheelite-type Nd2/3[WO4]
IUCrData, 2024, 9, x240175
1571168 CIF
Paper
C16 H17 Br O2 SP 1 21/c 19.1051; 10.665; 16.688
90; 102.16; 90
1584.1Corfield, Peter W. R.
erythro-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene
IUCrData, 2024, 9, x240189
1571169 CIF
Paper
C26 H50 N4 Ni S4P 1 21/c 111.5962; 18.4606; 7.8973
90; 106.532; 90
1620.71Khan, Sultana Shakila; Howlader, Md. Belayet Hossain; Sheikh, Md. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio
Bis[S-octyl 3-(2-methylpropylidene)dithiocarbazato-κ2 N 3,S]nickel(II)
IUCrData, 2024, 9, x240186
1571170 CIF
Paper
C13 H10 Br N O2P 1 21/n 115.2054; 3.8818; 19.8109
90; 107.039; 90
1118Kang, Liping; Long, Sihui
5-Bromo-2-(phenylamino)benzoic acid
IUCrData, 2024, 9, x240198
1571171 CIF
Paper
C18 H32 Cl2 N4 O2 Ru S2P 1 21/n 18.3125; 18.9072; 15.7906
90; 90.617; 90
2481.6Park, Esther H.; Ortiz, Sarah M.; Liang, Todd K.; Smucker, Bradley W.
cis,cis,cis-Dichloridobis(N 4,N 4-dimethylpyridin-4-amine-κN 1)bis(dimethyl sulfoxide-κS)ruthenium(II)
IUCrData, 2024, 9, x240191
1571244 CIF
Paper
C26 H18 Br NP b c a8.489; 16.4; 27.936
90; 90; 90
3889.2Sureshkumar, K.; Khamrang, Themmila; Hemamalini, Madhukar; Saravanan, Dhandayutham; Antony, G. Jerald Maria
10-Bromo-N,N-diphenylanthracen-9-amine
IUCrData, 2024, 9, x240207
1571265 CIF
Paper
C16 H21 N O3 SiP -16.7236; 7.2935; 16.1649
77.57; 80.354; 89.412
762.9Böhme, Uwe; Fels, Sabine
{N-[1-(2-Oxidophenyl)ethylidene]-DL-alaninato}(pentane-1,5-diyl)silicon(IV)
IUCrData, 2024, 9, x240228
1571266 CIF
Paper
C28 H36 Ag2 N6 O6P 1 21/n 110.3048; 24.114; 12.6416
90; 100.911; 90
3084.52Crundwell, Guy; Leeds, Ashley
Poly[(μ-2,3-diethyl-7,8-dimethylquinoxaline-κ2 N:N)(2,3-diethyl-7,8-dimethylquinoxaline-κN)-μ-nitrato-κ2 O:O′-nitrato-κ2 O,O′-disilver(I)]
IUCrData, 2024, 9, x240247
1571267 CIF
Paper
C12 H15 N O5P 21 21 216.2497; 13.8633; 14.6254
90; 90; 90
1267.17Mendoza Herrera, María del Consuelo; Sampedro Cruz, Mario; Pérez Díaz, Lydia María; Rivera Márquez, José Antonio; Orea Flores, Laura; Bernès, Sylvain
Methyl N-{(1R)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate
IUCrData, 2024, 9, x240222
1571268 CIF
Paper
C16 H24 Br2 Mn N8P -17.6288; 8.753; 9.3794
90.707; 106.138; 114.285
542.62Athan, Manikumar; Krishnan, Soundararajan; Loganathan, Nagarajan
trans-Dibromidotetrakis(5-methyl-1H-pyrazole-κN 2)manganese(II)
IUCrData, 2024, 9, x240237
1571269 CIF
Paper
C16 H12 F N3 O S2P -16.7949; 6.9491; 16.708
89.525; 82.547; 82.347
775.26Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.
4-Fluorobenzyl (Z)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate
IUCrData, 2024, 9, x240235
1571270 CIF
Paper
C29 H31 Fe2 N O S2P 21 21 217.5425; 17.6838; 18.892
90; 90; 90
2519.8Oliva-Colunga, Claudia; Sánchez García, Jessica J.; Flores-Alamo, Marcos; Klimova, Elena I.
2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane
IUCrData, 2024, 9, x240234
1571312 CIF
Paper
C50 H56 F12 N10 O3 P2 RuP c a 2126.718; 9.8834; 20.648
90; 90; 90
5452.4Althubyani, Layla M.; MacLean, Brian J.; Robertson, Katherine N.; Aquino, Manuel A.S.
Bis[2,6-bis(1H-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate
IUCrData, 2024, 9, x240269
1571470 CIF
Paper
C29 H29 N3 O3C 1 2/c 122.0407; 12.4642; 18.0706
90; 107.495; 90
4734.7Shimazaki, Runa; Sadakiyo, Masaaki
Ethidium benzoate methanol monosolvate
IUCrData, 2024, 9, x240302
1571493 CIF
Paper
C26.33 H28.65 N8 Ni O S2P 1 21/n 110.056; 21.3696; 12.5648
90; 100.161; 90
2657.7Awang Adam, Raudhatul Nadhirah; Keasberry, Natasha Ann; Sheikh Abdul Hamid, Malai Haniti
mer-Bis(quinoline-2-carboxaldehyde 4-ethylthiosemicarbazonato)nickel(II) methanol 0.33-solvate 0.67-hydrate
IUCrData, 2024, 9, x240339
1571494 CIF
Paper
C17 H17 B I N3P -17.08; 10.6304; 11.065
89.715; 79.711; 89.598
819.37Hashimoto, Shu; Okuno, Tsunehisa
4-(1H-2,3-Dihydronaphtho[1,8-de][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide
IUCrData, 2024, 9, x240362
1571495 CIF
Paper
C21 H25 Br2 N3 Pd SC 1 2 125.8993; 6.6206; 13.4938
90; 96.425; 90
2299.23Zeng, Xianggui; Xu, Yanze; Guo, Shuling; Xiao, Yongmei; Yuan, Jinwei; Yang, Liangru
(S C,R S)-Bromido(N-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-N′-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide
IUCrData, 2024, 9, x240360
1571496 CIF
Paper
C6 H12 N O9 P3 Zn2P -18.8428; 9.2779; 9.9343
79.126; 82.732; 67.279
736.99Love-Jennings, Jago G.; McKay, Aidan P.; Cordes, David B.; Harrison, William T. A.
Poly[3-methylpyridinium [(μ2-dihydrogen phosphito)bis(μ3-hydrogen phosphito)dizinc]]
IUCrData, 2024, 9, x240345
1571497 CIF
Paper
C15 H22 OC 1 2/c 125.6112; 9.7565; 10.3664
90; 95.169; 90
2579.78Meurer, Florian; Bodensteiner, Michael; Kolev, Iliyan
Redetermination of germacrone type II based on single-crystal X-ray data
IUCrData, 2024, 9, x240346
1571498 CIF
Paper
C22 H24 N2 O2P 1 21/n 115.862; 6.0503; 19.064
90; 105.287; 90
1764.8Minagawa, Tomohiro; Sadakiyo, Masaaki
(2E,2′E)-1,1′-([1,1′-Biphenyl]-4,4′-diyl)bis[3-(dimethylamino)prop-2-en-1-one]
IUCrData, 2024, 9, x240358
1571499 CIF
Paper
C22 H11 N3 O3 SF d d 26.7497; 52.478; 18.832
90; 90; 90
6670.5Bader, Mamoun M.; Fiester, Cameron; Pham, Phuong-Truc T.; Bradely, Amy; Nazzal, Amjad
13-Nitrobenzo[a][1,4]benzothiazino[3,2-c]phenoxazine
IUCrData, 2024, 9, x240299
1571500 CIF
Paper
C17 H19 B I N3 OP 1 21/c 16.746; 23.041; 10.939
90; 97.616; 90
1685.3Hashimoto, Shu; Miki, Shintaro; Okuno, Tsunehisa
4-(1H-2,3-Dihydronaphtho[1,8-de][1,3,2]diazaborinin-2-yl)-1-ethylpyridin-1-ium iodide monohydrate
IUCrData, 2024, 9, x240369
1571501 CIF
Paper
C32 H26 Ag Cl N6 O6 S4P 1 21 18.3455; 19.2331; 11.0134
90; 102.491; 90
1725.92Crundwell, Guy; Christiana, Rachel A.; Ouellette, Paul; Giorgetti, Andrew F.
Bis[2,3-bis(thiophen-2-yl)pyrido[3,4-b]pyrazine]silver(I) perchlorate methanol disolvate
IUCrData, 2024, 9, x240344
1571515 CIF
Paper
C22 H12 N2 S2P 1 21/c 111.7365; 3.8149; 35.726
90; 97.669; 90
1585.27Bader, Mamoun M.; Pham, Phuong-Truc T.; Abu Khodair, Salma S.; Saleh, Maysoon I.
Benzo[a][1,4]benzothiazino[3,2-c]phenothiazine
IUCrData, 2024, 9, x240357
1571673 CIF
Paper
C14 H22 Cl2 Cu N6 O6P -14.6536; 8.2542; 13.682
78.092; 82.801; 85.469
509.42Angel-Nieto, Ismael; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Aguirre-Hernández, Gerardo; Bernès, Sylvain
trans-Dichloridobis(secnidazole-κN 3)copper(II)
IUCrData, 2024, 9, x240376
1571674 CIF
Paper
C8 H7 I O3P 1 21/c 14.3286; 21.334; 9.2941
90; 93.744; 90
856.4Kimble, Marten J.; Myers, Shea D.; Benedict, Jason B.
Methyl 2-hydroxy-4-iodobenzoate
IUCrData, 2024, 9, x240394
1571679 CIF
Paper
C14 H26 Cl F N6 O6 ZnP 1 21/c 19.8065; 12.5029; 16.1592
90; 95.599; 90
1971.82Ichimaru, Yoshimi; Kato, Koichi; Jin, Wanchun; Kurihara, Masaaki; Kurosaki, Hiromasa
(5-Fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-ido-κN 1)(1,4,8,11-tetraazacyclotetradecane-κ4 N)zinc(II) perchlorate
IUCrData, 2024, 9, x240431
1571706 CIF
Paper
C8 H18 Cl Cu N O5P 1 21/n 17.2605; 10.4221; 14.668
90; 94.366; 90
1106.7Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Pérez-Benítez, Aarón; Bernès, Sylvain
Chlorido(2-{(2-hydroxyethyl)[tris(hydroxymethyl)methyl]amino}ethanolato-κ5 N,O,O′,O′′,O′′′)copper(II)
IUCrData, 2024, 9, x240439
1571764 CIF
Paper
C15 H16 O4P n a 2110.6769; 17.9611; 7.0266
90; 90; 90
1347.48Bationo, Valentin; Ziki, Eric; Sombié, Charles Bavouma; Semdé, Rasmané; Djandé, Abdoulaye
2-Oxo-2H-chromen-4-yl 3,3-dimethylbutanoate
IUCrData, 2024, 9, x240494
1571765 CIF
Paper
C26 H18 Br NP 1 21/c 113.0619; 7.6891; 20.475
90; 106.809; 90
1968.5Saravanan, Dhandayutham; Ponraj, C.; Khamrang, Themmila; Hemamalini, Madhukar; Antony, G. Jerald Maria
2-(10-Bromoanthracen-9-yl)-N-phenylaniline
IUCrData, 2024, 9, x240475
1571766 CIFFe0.6666 Na2 O6 Te1.3333R -3 :H5.2598; 5.2598; 15.778
90; 90; 120
378.03Eder, Felix; Weil, Matthias
Ilmenite-type Na2(Fe2/3Te4/3)O6
IUCrData, 2024, 9, x240482
1571767 CIF
Paper
C6 H11 N O6 SP 1 21 14.8838; 18.3867; 5.1522
90; 110.325; 90
433.85Waters, James K.; Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P.
(S)-2-Carboxyethyl L-cysteinyl sulfone
IUCrData, 2024, 9, x240480
1571768 CIF
Paper
C64 H160 Mo10 N8 O34P 1 21/c 114.21628; 20.7477; 18.221
90; 110.078; 90
5047.74Gueye, Papa Aly; Yaffa, Lamine; Seye, Dame; Ndoye, Daouda; Traoré, Bocar; Sidibé, Mamadou; Diop, Cheikh Abdoul Khadir; Shova, Sergiu
Octakis(dibutylammonium) decamolybdate(VI)
IUCrData, 2024, 9, x240463
1571769 CIF
Paper
C36 H48 N4 SnP -4 21 c13.7; 13.7; 8.7123
90; 90; 90
1635.21Lämmer, Christian; Merzweiler, Kurt
Tetrakis(2,4,6-trimethylanilido)tin(IV)
IUCrData, 2024, 9, x240479
1571777 CIF
Paper
C22.5 H23.5 Co N4.5 O6.5 SP 1 21/n 111.2451; 14.4734; 15.232
90; 103.485; 90
2410.7Qin, Hui-Yu; Zhang, Bing-Guang; Sun, Qiao-Zhen
Poly[[{μ2-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ4 O 1,O 1′:O 3,O 3′}(μ2-4,4′-dipyridylamine-κ2 N 4:N 4′)cobalt(II)] dimethylformamide hemisolvate monohydrate]
IUCrData, 2024, 9, x240489
1571778 CIF
Paper
C85 H62 Cl2 Mn N14 O4P n a 2130.247; 13.713; 17.205
90; 90; 90
7136.2Yang, Jun; Zhang, Cuijuan; Chu, Jiaxiang
(2,5-Dimethylimidazole){N,N′,N′′,N′′′-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate
IUCrData, 2024, 9, x240497
1571779 CIF
Paper
C84 H52 Cl Fe N12 O4C 1 2/c 123.1771; 12.7959; 22.5404
90; 100.332; 90
6576.5Yang, Jun; Zhang, Cuijuan; Chu, Jiaxiang
Chlorido[5,10,15,20-tetrakis(quinoline-7-carboxamido)porphinato]iron(III)
IUCrData, 2024, 9, x240496
1571806 CIF
Paper
C34 H42 B F4 Ir N3 PP 1 c 114.1426; 12.3103; 18.8707
90; 98.492; 90
3249.36Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward
(4-Butyl-1-ethyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane)iridium(I) tetrafluoridoborate
IUCrData, 2024, 9, x240501
1571807 CIF
Paper
C63 H70 B2 Co N6P 1 21/c 118.1245; 11.6689; 26.067
90; 90.332; 90
5512.9Shin, Jeongcheol; Kim, Jin; Choi, Jonghoon
Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate)
IUCrData, 2024, 9, x240539
1571941 CIF
Paper
C28 H30 N2 O12 S2P 1 21/n 17.55855; 12.16674; 16.00467
90; 94.7152; 90
1466.85Nazarov, Yusufjon Eshkobilovich; Turaev, Khayit Khudaynazarovich; Alimnazarov, Bekmurod Khurramovich; Suyunov, Jabbor Ruziboevich; Umirova, Gulnora Abdurakhmonovna; Ibragimov, Bakhtiyar Tulyaganovich; Ashurov, Jamshid Mengnorovich
Bis(8-hydroxyquinolinium) naphthalene-1,5-disulfonate tetrahydrate
IUCrData, 2024, 9, x240570
1571964 CIF
Paper
C19 H30 O2 SiP -17.3673; 11.2285; 12.5778
104.974; 101.964; 103.46
937.1Wetzel, Edward A.; Lindeman, Sergey; Donaldson, William A.
6-[4-(tert-Butyldimethylsilyloxy)phenyl]-1-oxaspiro[2.5]heptane
IUCrData, 2024, 9, x240590
1572024 CIF
Paper
C15 H12 B N3I -421.5659; 21.5659; 5.0863
90; 90; 90
2365.58Yamamoto, Ryo; Hashimoto, Shu; Okuno, Tsunehisa
2-(Pyridin-4-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine
IUCrData, 2024, 9, x240615
1572025 CIF
Paper
C49 H74 Cl4 Fe5 Ga4 O27 SiP 1 21/c 112.1954; 15.2657; 39.03
90; 95.5629; 90
7232Demmin, Mary Elizabeth; Bauer, Cary; Ruf, Michael; Harakas, George N.
trans-Diaquatetrakis(tetrahydrofuran-κO)iron(II) μ-carbonyl-tetradecacarbonyltetrachlorido-μ-dimethylsilanediolato-tetragalliumtetrairon(7 Ga–Fe)(Fe–Fe) tetrahydrofuran tetrasolvate
IUCrData, 2024, 9, x240620
1572026 CIF
Paper
C6 H6 O4P -13.7474; 11.6254; 13.7771
68.407; 85.779; 89.843
556.37Weare, Benjamin L.; Hoggett, Sean; Cull, William J.; Argent, Stephen P.; Khlobystov, Andrei N.; Brown, Paul D.
Benzene-1,2,4,5-tetrol
IUCrData, 2024, 9, x240612
1572119 CIF
Paper
C10 H12 Cl Co N3 O3P n m a9.681; 18.411; 13.163
90; 90; 90
2346.1Zheng, Yun-Yun; Su, De-Sen; Yao, Qing-Hua; Huang, Min-Min
Poly[[μ3-2-(benzotriazol-1-yl)acetato-κ3 O:O′:N 3]chlorido(ethanol-κO)cobalt(II)]
IUCrData, 2024, 9, x240630
1572122 CIF
Paper
C9 H8 Cl6 Ga2 O2 RuP 1 21/c 113.1598; 9.7142; 15.3369
90; 115.257; 90
1773.19Smith, Danielle; Harakas, George N.
Dicarbonyl-1κ2 C-μ-chlorido-2:3κ2 Cl:Cl-pentachlorido-2κ2 Cl,3κ3 Cl-[1(η6)-toluene]digallium(III)ruthenium(I)(Ru—Ga)
IUCrData, 2024, 9, x240657
1572128 CIF
Paper
C23 H30 Cl N5 O3 ZnP 1 21/c 115.9086; 7.8088; 19.5342
90; 106.157; 90
2330.83Ichimaru, Yoshimi; Sugiura, Kirara; Kato, Koichi; Kondo, Yuki; Kurihara, Masaaki; Jin, Wanchun; Imai, Masanori; Kurosaki, Hiromasa
[1-(Anthracen-9-ylmethyl)-1,4,7,10-tetraazacyclododecane]chloridozinc(II) nitrate
IUCrData, 2024, 9, x240665
1572129 CIF
Paper
C14 H40 Mo2 N6 O18C 1 2/c 122.5897; 7.51; 16.3743
90; 94.716; 90
2768.5Yaffa, Lamine; Seye, Dame; Kama, Antoine Blaise; Toure, Assane; Diop, Cheikh Abdoul Khadir
Bis(ethylenediammonium) μ-ethylenediaminetetraacetato-1κ3 O,N,O′:2κ3 O′′,N′,O′′′-bis[trioxidomolybdate(VI)] tetrahydrate
IUCrData, 2024, 9, x240667
1572135 CIF
Paper
C44 H42 Cl2 N2 O2 PdP 1 21 110.2505; 18.6165; 10.6345
90; 96.388; 90
2016.77Anzaldo, Bertin; Gutiérrez Pérez, René; Hernández Téllez, Guadalupe; Mendoza, Ángel; Moreno Morales, Gloria E.
Bis{(S)-(−)-N-[(2-biphenyl)methylidene]-1-(4-methoxyphenyl)ethylamine-κN}dichloridopalladium(II)
IUCrData, 2024, 9, x240555
1572159 CIF
Paper
C16 H27 Cl N3 RhP -19.6253; 13.6771; 13.7938
76.41; 83.455; 80.345
1734.78Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward
Chlorido[(1,2,5,6-η)-cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)rhodium(I)
IUCrData, 2024, 9, x240704
1572202 CIF
Paper
C18 H20 Cl N O2 RuP 21 21 216.5669; 9.414; 27.57
90; 90; 90
1704.4Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop
(η6-Benzene)chlorido[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato]ruthenium(II)
IUCrData, 2024, 9, x240720
1572246 CIF
Paper
C34 H42 B F4 N3 P RhP 110.0296; 10.3718; 18.1424
99.27; 93.906; 118.766
1609.45Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward
[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate
IUCrData, 2024, 9, x240745
1572306 CIF
Paper
C15 H15 N O2P 1 21/c 114.7698; 6.673; 26.2392
90; 102.231; 90
2527.4Zhang, Kexin; Long, Sihui
4-[(2-Phenylethyl)amino]benzoic acid
IUCrData, 2024, 9, x240753
1572307 CIF
Paper
C26 H41 Br2 N O4P 1 21 116.4966; 8.8166; 18.9475
90; 99.265; 90
2719.85Rousselin, Yoann; Clavel, Alexandre
Pinaverium bromide
IUCrData, 2024, 9, x240653
1572308 CIF
Paper
C14 H12 O3P 1 21/n 110.0564; 3.9985; 28.2235
90; 97.744; 90
1124.53Song, Qiuyi; Long, Sihui
Redetermined structure of 4-(benzyloxy)benzoic acid
IUCrData, 2024, 9, x240752
1572357 CIF
Paper
C28 H37 N O2 S SnP 1 21/n 110.4032; 18.8988; 14.8277
90; 101.382; 90
2857.91Song, Xueqing; Yeibyo, Woldegebriel; Li, William; Pike, Robert D.
Diisobutylammonium triphenyl(2-thiolatoacetato-κ2 O,S)stannate(IV)
IUCrData, 2024, 9, x240742
1572358 CIFC28 H36 Cl2 N4 Ni O4P -111.4514; 12.1629; 12.692
67.9946; 67.3255; 65.8759
1438.34Mukda, Benjamin A.; Dickie, Diane A.; Turnbull, Mark M.
Dichloridotetrakis(3-methoxyaniline)nickel(II)
IUCrData, 2024, 9, x240776
1572377 CIF
Paper
C10 H8 Br N3 O S2P 1 21/n 16.6331; 7.5726; 24.6985
90; 97.141; 90
1230.98Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.
Methyl 2-[(Z)-5-bromo-2-oxoindolin-3-ylidene]hydrazinecarbodithioate
IUCrData, 2024, 9, x240787
1572440 CIF
Paper
C16 H19 F N4 O6P 1 21/n 16.6241; 19.1629; 12.6062
90; 93.136; 90
1597.8Rasulov, Abdusamat; Torambetov, Batirbay; Alimnazarov, Bekmurod; Kadirova, Shakhnoza; Suyunov, Jabbor; Nazarov, Yusufjon; Ashurov, Jamshid
Norfloxacinium nitrate
IUCrData, 2024, 9, x240813
1572441 CIF
Paper
C26 H57 Cu6 N11 O7P 1 21 111.1008; 14.9561; 12.7221
90; 91.486; 90
2111.47Corfield, Peter W. R.; Salvi, Paul
Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ2-cyanido-κ12 C:N-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]
IUCrData, 2024, 9, x240845
1572442 CIF
Paper
C12 H13 N O3 SP 21 21 215.8868; 8.8927; 22.8226
90; 90; 90
1194.75Hosten, Eric Cyriel; Betz, Richard
Pyridinium tosylate
IUCrData, 2024, 9, x240831
1572443 CIF
Paper
C30 H34 N10 Ni2 O4P 1 21/n 111.1045; 9.1489; 15.8088
90; 92.21; 90
1604.88Pilavadi, Thangamuniyandi; Krishnan, Soundararajan; Loganathan, Nagarajan
Bis[μ-3-(pyridin-2-yl)pyrazolato]bis[acetato(3,5-dimethyl-1H-pyrazole)nickel(II)]
IUCrData, 2024, 9, x240810
1572444 CIF
Paper
C20 H20 Cl6 N2 O6 SnP -18.322; 9.2704; 9.4248
108.101; 99.515; 99.749
662.46Benhamada, Mohamed Siradj Eddine; Benlatreche, Tarek; Ghallab, Rochdi; Dénès, George; Merazig, Hocine
Bis(2-carboxyquinolinium) hexachloridostannate(IV) dihydrate
IUCrData, 2024, 9, x240826
1572540 CIF
Paper
C9 H8 Co N8P -17.3526; 8.3354; 10.4053
97.221; 102.413; 111.334
565.36Setifi, Fatima; Setifi, Zouaoui; Geiger, David K.; Al-Douh, Mohammed Hadi; Addala, Abderezak
catena-Poly[[(8-aminoquinoline)cobalt(II)]-di-μ-azido]
IUCrData, 2024, 9, x240849
1572541 CIF
Paper
C26 H22 N2 O3P -19.342; 10.524; 11.967
73.831; 79.643; 72.648
1072.6Sung, Jiha
(E)-1-(3,4-Dimethoxyphenyl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one
IUCrData, 2024, 9, x240866
1572564 CIF
Paper
C77 H82 Ag2 Cl3 N8P 1 21/c 112.7605; 22.4142; 25.0233
90; 93.055; 90
7146.9Malek, Kotiba; Arumugam, Kuppuswamy
μ-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene-κC]silver(I)} chloride 1,2-dichloroethane hemisolvate
IUCrData, 2024, 9, x240861
1572653 CIF
Paper
C36 H36 F6 N4 O4 P RuP 41 21 215.3094; 15.3094; 15.315
90; 90; 90
3589.5Kelani, Monsuru T.; Muller, Alfred; Lammertsma, Koop
Δ-Bis[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ2 N,O 1](1,10-phenanthroline-κ2 N,N′)ruthenium(III) hexafluoridophosphate
IUCrData, 2024, 9, x240893
1572654 CIF
Paper
C18 H28 O4P 43 21 27.341; 7.341; 64.8549
90; 90; 90
3495.05Botha, Christo J.; Fouche, Gerda; Malan, Frederick P.
(1R,2S,4aR,6S,8R,8aS)-1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
IUCrData, 2024, 9, x240885
1572655 CIF
Paper
C32 H40 N6 O11 Zn2P 1 21/n 18.2105; 14.4478; 15.2042
90; 101.694; 90
1766.14Setifi, Fatima; Setifi, Zouaoui; Pham Chien, Thang; Al-Douh, Mohammad Hadi; Addala, Abderezak
Di-μ-adipato-κ4 O 1,O 1′:O 6,O 6′-bis[(2,2′-dipyridylamine-κ2 N,N′)zinc(II)] trihydrate
IUCrData, 2024, 9, x240906
1572656 CIF
Paper
O9 Te3 Yb2P -16.9208; 13.2576; 14.5513
110.068; 90.497; 100.082
1231.29Höss, Patrick; Chou, Sheng-Chun; Russ, Philip L.; Locke, Ralf J. C.; Schleid, Thomas
C-type Yb2Te3O9
IUCrData, 2024, 9, x240888
1572657 CIF
Paper
C21 H27 B F2 N2 O4P 1 21/c 111.9299; 21.6278; 8.2665
90; 108.251; 90
2025.6Schollmeyer, Dieter; Jochen, Matthias; Detert, Heiner
Redetermined structure of methyl 3-{4,4-difluoro-2-[2-(methoxycarbonyl)ethyl]-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacen-6-yl}propionate
IUCrData, 2024, 9, x240884
1572725 CIF
Paper
C0.82 Fe2 O0.18 Ti4F d -3 m :211.323; 11.323; 11.323
90; 90; 90
1451.7Liu, Huizi; Fan, Changzeng; Wen, Bin; Zhang, Lifeng
Ti4Fe2C0.82O0.18
IUCrData, 2024, 9, x240890
1572726 CIF
Paper
C34.5 H43 B Cl F4 Ir N3 PC 1 c 113.19118; 13.558; 38.8216
90; 91.4236; 90
6940.95Lerch, Timothy G.; Gau, Michael; Albert, Daniel R.; Rajaseelan, Edward
[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane hemisolvate
IUCrData, 2024, 9, x240941
1572727 CIF
Paper
C2 H4 Br N OP 1 21/c 110.373; 5.1899; 7.557
90; 99.94; 90
400.7Schwarzer, Anke; Stapf, Manuel
2-Bromoacetamide
IUCrData, 2024, 9, x240863
1572816 CIF
Paper
C11 H11 N3 O S2P 1 21/c 14.9897; 21.8014; 11.3394
90; 92.995; 90
1231.84Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.
Methyl 2-[(Z)-5-methyl-2-oxoindolin-3-ylidene]hydrazinecarbodithioate
IUCrData, 2024, 9, x240967
1572817 CIF
Paper
C6 H10 N2 O2P 1 21/n 17.3781; 8.005; 12.1306
90; 99.767; 90
706.07Khamrang, Themmila; Ponraj, C.; Hemamalini, Madhukar; Antony, G. Jerald Maria; Saravanan, Dhandayutham
1,4-Dimethylpiperazine-2,3-dione
IUCrData, 2024, 9, x240936
1572818 CIF
Paper
C19 H15 Br N2 OP n a 2117.7036; 5.8468; 31.418
90; 90; 90
3252.1Saha, Arindam; Chartrand, Daniel; Cibian, Mihaela; Maris, Thierry; Hanan, Garry S.
4-Bromo-N,N′-diphenylbenzimidamide N′-oxide
IUCrData, 2024, 9, x240968
1572954 CIF
Paper
C8 H8 Cl N O2P 1 21 16.5088; 5.1758; 12.2175
90; 101.649; 90
403.11El Moutaouakil Ala Allah, Abderrazzak; Kariuki, Benson M.; Ameziane El Hassani, Issam; Alsubari, Abdulsalam; Guerrab, Walid; A. Said, Musa; Ramli, Youssef
IUCrData, 2024, 9, x241015
1572955 CIF
Paper
C70 H70 N4 O12P 1 21 116.565; 9.7051; 19.708
90; 99.376; 90
3126Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.
IUCrData, 2024, 9, x241028
1572956 CIF
Paper
C20 H26 N2 O2P 1 21/c 110.1243; 23.941; 7.5053
90; 91.315; 90
1818.7Juma, David O.; Omondi, Bernard; Zamisa, Sizwe J.; Munzeiwa, Wisdom
IUCrData, 2024, 9, x240988
1572990 CIF
Paper
C14 H20 Cl N O5P 1 21/c 120.5205; 8.1626; 9.4732
90; 90.788; 90
1586.62Schollmeyer, Dieter; Proz, Igor; Detert, Heiner
1-Ethoxy-3-[4-(ethoxycarbonyl)phenyl]-3-hydroxy-1-oxopropan-2-aminium chloride
IUCrData, 2024, 9, x241032
1572991 CIF
Paper
C12 H17 N3P c a 217.929; 15.3027; 10.0486
90; 90; 90
1219.25Khamrang, Themmila; Kannan, A.; Hemamalini, Madhukar; Tahir, Muhammad Nawaz; Antony, G. Jerald Maria; Saravanan, Dhandayutham
(1H-Benzodiazol-2-ylmethyl)diethylamine
IUCrData, 2024, 9, x241006
1572992 CIF
Paper
C14 H12 O3P 1 21/c 124.8929; 8.5889; 11.2678
90; 103.026; 90
2347.09Prinsloo, Petrus; Hosten, Eric Cyriel; Betz, Richard
Benzilic acid: a monoclinic polymorph
IUCrData, 2024, 9, x241039
1573077 CIF
Paper
C9 H12 O2 SP n a 217.5555; 15.7119; 7.4892
90; 90; 90
889.05Schollmeyer, Dieter; Kammler, Claudia; Detert, Heiner
3aH,4H,5H,8H,9H,9aH-Cycloocta[d][1,3]dioxole-2-thione
IUCrData, 2024, 9, x241019
1573078 CIF
Paper
C14 H12 N2 O2 SP -18.6822; 10.0623; 16.5504
77.201; 84.053; 73.839
1352.89Nyapola, Carren; Zamisa, Sizwe J.; Njogu, Eric M.; Omondi, Bernard
2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
IUCrData, 2024, 9, x241049
1573079 CIF
Paper
C18 H12 Cl3 O4 PP 1 21/n 17.5771; 21.128; 11.2665
90; 95.835; 90
1794.3Birch, Joshua; Hosten, Eric Cyriel; Betz, Richard
Tris(4-chlorophenyl) phosphate
IUCrData, 2024, 9, x241061
1573080 CIF
Paper
C95 H140 N2 O10F d d 247.848; 14.2452; 27.679
90; 90; 90
18866Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.
Structural insights into 1,4-bis(neopentyloxy)pillar[5]arene and the pyridine host–guest system
IUCrData, 2024, 9, x241073
1573175 CIF
Paper
C14 H8 Cl2 F3 N OP b c a7.8436; 13.8612; 25.8433
90; 90; 90
2809.73Xantini, Zizipho; Muller, Alfred; Lammertsma, Koop
2,4-Dichloro-6-{N-[2-(trifluoromethyl)phenyl]carboximidoyl}phenol
IUCrData, 2024, 9, x241074
1573207 CIF
Paper
C13 H17 N O5P 1 21/n 111.15335; 17.41068; 14.0624
90; 108.155; 90
2594.8Mohd Rosli, Nor Habibah; Mohammat, Mohd Fazli; Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.
Ethyl (2RS,3SR,4RS)-1-ethyl-2-(furan-2-yl)-4-hydroxy-5-oxopyrrolidine-3-carboxylate
IUCrData, 2024, 9, x241088
1573208 CIF
Paper
C14 H10 N2 S2 SnP b c a9.4438; 7.9296; 18.6153
90; 90; 90
1394.02Pancratz, Ann-Kathrin; Kamrowski, Anne; Reuter, Hans
catena-Poly[[diphenyltin(IV)]-di-μ-isothiocyanato]: an unprecedented layered coordination polymer resulting from bridging κ2 N:S thiocyanato ligands
IUCrData, 2024, 9, x241093
1573209 CIF
Paper
C10 H14 N2 SeP 1 21/n 17.9646; 17.083; 8.0572
90; 111.425; 90
1020.5Schollmeyer, Dieter; Detert, Heiner
(10Z)-4H,5H,6H,7H,8H,9H-Cyclodeca[d][1,2,3]selenadiazole
IUCrData, 2024, 9, x241107
1573262 CIF
Paper
C48 H43 Cl3 Co P2P 1 21/c 111.1017; 12.6011; 30.7804
90; 96.1058; 90
4281.6Ndima, Lubabalo; Hosten, Eric Cyriel; Betz, Richard
Triphenylphosphonium trichlorido(triphenylphosphane-κP)cobaltate(II) benzene disolvate
IUCrData, 2024, 9, x241121
1573263 CIF
Paper
C5 H2 Cl3 N OP 1 21/c 16.1616; 22.3074; 5.0396
90; 99.356; 90
683.47Vaughn, Tashonda M.; Soheil, Saneei; Ogundele, Olalekan M.; Fronczek, Frank R.; Uppu, Rao M.
3,5,6-Trichloropyridin-2-ol
IUCrData, 2024, 9, x241126
1573264 CIF
Paper
C20 H20 Fe N12 OP -17.7496; 9.3778; 16.6178
79.516; 83.962; 69.52
1111.33Setifi, Fatima; Setifi, Zouaoui; Reuter, Hans; Al-Douh, Mohammad Hadi; Addala, Abderezak
Bis(azido-κN 1)bis(2,2′-dipyridylamine-κ2 N 1,N 1′)iron(II) monohydrate
IUCrData, 2024, 9, x241116
1573366 CIF
Paper
C11 H12 Br N3 O3C 1 c 16.4352; 12.2697; 15.5936
90; 90.29; 90
1231.22Ibrahim, Halliru; Zamisa, Sizwe J.; Bala, Muhammad D.; Ntola, Pinkie; Friedrich, Holger B.
3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-imidazol-3-ium bromide
IUCrData, 2024, 9, x241138
1573367 CIF
Paper
C22 H17 N3 OP 1 21/c 17.7366; 29.5787; 7.3852
90; 91.962; 90
1689.03Njogu, Eric M.; Juma, David O.; Zamisa, Sizwe J.; Omondi, Bernard; Nyamori, Vincent O.
4′-(2-Methoxyphenyl)-2,2′:6′,2′′-terpyridine
IUCrData, 2024, 9, x241143
1573386 CIF
Paper
C12 H20 O4C 1 2/c 19.8411; 12.3319; 21.0912
90; 94.254; 90
2552.56Schollmeyer, Dieter; Jirsch, Paul; Detert, Heiner
rac-2-{3-[1-(Acetyloxy)ethyl]-2,2-dimethylcyclobutyl}acetic acid
IUCrData, 2024, 9, x241144
1573387 CIF
Paper
C22 H17 Cl N2P 1 21/n 18.8768; 18.3002; 10.5053
90; 95.942; 90
1697.39Koch, Pierre; Schollmeyer, Dieter
1-[(2-Chlorophenyl)diphenylmethyl]-1H-pyrazole
IUCrData, 2024, 9, x241152
1573530 CIF
Paper
C34 H22 Fe N12 O2P -18.3617; 9.8067; 10.1251
100.206; 90.276; 90.5
817.08Setifi, Fatima; Setifi, Zouaoui; Böhme, Uwe; Al-Douh, Mohammad Hadi; Satour, Achouak
trans-Bis(quinoline-8-amine-κ2 N,N′)bis(1,1,3,3-tetracyano-2-methoxypropenido-κN)iron(II)
IUCrData, 2024, 9, x241219
1573531 CIF
Paper
C17 H22 N2 O5P 1 21/n 110.17216; 9.2432; 17.64603
90; 101.511; 90
1625.77Abdul Rashid, Fatin Nur Ain; Mohammat, Mohd Fazli; Abdul Manan, Mohd Abdul Fatah; Bakhtiar Afendy, Ayisy Amirul Afti; Cordes, David B.; McKay, Aidan P.
Ethyl 4-[(2-hydroxyethyl)amino]-2-(4-methoxyphenyl)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
IUCrData, 2024, 9, x241222
1573532 CIF
Paper
C29 H26 Br NP 1 21/c 112.7044; 10.5123; 18.2491
90; 105.372; 90
2350Khamrang, Themmila; Kannan, A.; Ponraj, C.; Hemamalini, Madhukar; Antony, G. Jerald Maria; Saravanan, Dhandayutham
6-Bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
IUCrData, 2024, 9, x241176
1573539 CIF
Paper
C6 H6 I NP 21 21 215.0748; 12.9872; 20.6243
90; 90; 90
1359.29Slamang, Ferhan; Hosten, Eric Cyriel; Betz, Richard
3-Iodoaniline
IUCrData, 2024, 9, x241226
1573540 CIF
Paper
C26 H32 Co N4 O6P 1 21/n 18.792; 11.674; 24.976
90; 92.06; 90
2562Ezenyilimba, Frederick C.; LaDuca, Robert L.
Poly[diaqua[μ2-1,4-bis(pyridin-3-ylmethyl)piperazine][μ2-4-(2-carboxylatoethyl)benzoato]cobalt(II)]
IUCrData, 2024, 9, x241225
1573568 CIF
Paper
H4 O10 S2 SnP 1 21/c 17.03475; 5.65165; 9.70464
90; 106.852; 90
369.267Fjellvåg, Øystein Slagtern; Fjellvåg, Helmer
Sn(SO4)2·2H2O from synchrotron powder data
IUCrData, 2024, 9, x241179
1573569 CIF
Paper
C15 H14 Br N3 O3P 1 21/n 16.7708; 17.2107; 12.3465
90; 98.184; 90
1424.09Ibrahim, Halliru; Zamisa, Sizwe J.; Bala, Muhammad D.; Ntola, Pinkie; Friedrich, Holger B.
3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-benzo[d]imidazol-3-ium bromide
IUCrData, 2024, 9, x241168
2310194 CIFNi ThP n m a14.15; 4.31; 5.73
90; 90; 90
349.453Florio, J.V.; Baenziger, N.C.; Rundle, R.E.
Compounds of thorium with transition metals. 2. Systems with iron, cobalt and nickel
Acta Crystallographica (1,1948-23,1967), 1956, 9, 367-372
2310195 CIFNi3 Th7P 63 m c9.86; 9.86; 6.23
90; 90; 120
524.533Florio, J.V.; Baenziger, N.C.; Rundle, R.E.
Compounds of thorium with transition metals. 2. Systems with iron, cobalt and nickel
Acta Crystallographica (1,1948-23,1967), 1956, 9, 367-372
2310196 CIFNi17 Th2P 63/m m c8.37; 8.37; 8.14
90; 90; 120
493.862Florio, J.V.; Baenziger, N.C.; Rundle, R.E.
Compounds of thorium with transition metals. 2. Systems with iron, cobalt and nickel
Acta Crystallographica (1,1948-23,1967), 1956, 9, 367-372
2310197 CIFFe17 Th2C 1 2/m 19.68; 8.56; 6.46
90; 99.33; 90
528.2Florio, J.V.; Baenziger, N.C.; Rundle, R.E.
Compounds of thorium with transition metals. 2. Systems with iron, cobalt and nickel
Acta Crystallographica (1,1948-23,1967), 1956, 9, 367-372
2310218 CIFNi4.56 V10.44P 42/m n m8.98; 8.98; 4.64
90; 90; 90
374.171Kasper, J.S.; Waterstrat, R.M.
Ordering of atoms in the sigma phase
Acta Crystallographica (1,1948-23,1967), 1956, 9, 289-295
2310284 CIFCo7 Cr8P 42/m n m8.81; 8.81; 4.56
90; 90; 90
353.929Dickins, G.J.; Douglas, A.M.B.; Taylor, W.H.
The crystal structure of the Co-Cr sigma phase
Acta Crystallographica (1,1948-23,1967), 1956, 9, 297-302
2310287 CIFCo ThC m c m3.74; 10.88; 4.16
90; 90; 90
169.275Florio, J.V.; Baenziger, N.C.; Rundle, R.E.
Compounds of thorium with transition metals. II. Systems with iron. cobalt and nickel
Acta Crystallographica (1,1948-23,1967), 1956, 9, 367-372
2310336 CIFSr Zn5P n m a13.15; 5.32; 6.72
90; 90; 90
470.118Baenziger, N.C.; Conant, J.W.
The crystal structures of Sr Zn5 and Ba Zn5
Acta Crystallographica (1,1948-23,1967), 1956, 9, 361-364
2310345 CIFF6 K2 ZrC m c m6.58; 11.4; 6.94
90; 90; 90
520.583Bode, H.; Teufer, G.
Die Kristallstruktur des Kaliumhexafluorozirkonats und Kaliumhexafluorohafnats
Acta Crystallographica (1,1948-23,1967), 1956, 9, 929-933
2310527 CIFCu16 Mg6 Si7F m -3 m11.65; 11.65; 11.65
90; 90; 90
1581.17Bergman, G.; Waugh, L.H.
The crystal structure of the intermetallic compound Mg6 Si7 Cu16
Acta Crystallographica (1,1948-23,1967), 1956, 9, 214-217
2310544 CIFCl2 H16 O9 ZrP -4 21 c17.08; 17.08; 7.69
90; 90; 90
2243.38Clearfield, A.; Vaughan, P.A.
The crystal structure of zirconyl chloride octahydrate and zirconyl bromide octahydrate
Acta Crystallographica (1,1948-23,1967), 1956, 9, 555-558
2310545 CIFBr2 H16 O9 ZrP -4 21 c17.65; 17.65; 7.95
90; 90; 90
2476.6Clearfield, A.; Vaughan, P.A.
The Crystal Structure of Zirconyl Chloride Octahydrate and Zirconyl Bromide Octahydrate
Acta Crystallographica (1,1948-23,1967), 1956, 9, 555-558
2310549 CIFCe I4 O12P 42/n :19.9; 9.9; 5.32
90; 90; 90
521.413Cromer, D.T.; Larson, A.C.
The Crystal Structure of Ce (I O3)4
Acta Crystallographica (1,1948-23,1967), 1956, 9, 1015-1018
2310568 CIFNa2 O4 S2P 1 2/c 16.404; 6.559; 6.586
90; 119.51; 90
240.749Dunitz, J.D.
The structure of sodium dithionite and the nature of the dithionite ion
Acta Crystallographica (1,1948-23,1967), 1956, 9, 579-586
2310576 CIFSb4 Th3I -4 3 d9.372; 9.372; 9.372
90; 90; 90
823.184Ferro, R.
The crystal structures of thorium antimonides
Acta Crystallographica (1,1948-23,1967), 1956, 9, 817-818
2310577 CIFSb2 ThP 4/n m m :14.353; 4.353; 9.172
90; 90; 90
173.797Ferro, R.
The crystal structures of thorium antimonides
Acta Crystallographica (1,1948-23,1967), 1956, 9, 817-818
2310593 CIFBa O5 Ti2A 1 2/m 19.41; 3.93; 16.892
90; 103.03; 90
608.604Harrison, F.W.
The crystal structure of barium dititanate, Ba O (Ti O2)2
Acta Crystallographica (1,1948-23,1967), 1956, 9, 495-500
2310595 CIFC Cl NP m m n :25.684; 3.977; 5.74
90; 90; 90
129.754Heiart, R.B.; Carpenter, G.B.
The crystal structure of cyanogen chloride
Acta Crystallographica (1,1948-23,1967), 1956, 9, 889-895
2310602 CIFAs Li O3C 1 2/c 110.18; 9.43; 5.25
90; 110.53; 90
471.978Hilmer, W.
Die Kristallstruktur von Lithiumpolyarsenat (Li As O3)x
Acta Crystallographica (1,1948-23,1967), 1956, 9, 87-88
2310605 CIFCe H2 I4 O13P 1 21/n 19.57; 14.92; 8
90; 97.99; 90
1131.19Ibers, J.A.
The Crystal Structure of Ceric Iodate Monohydrate
Acta Crystallographica (1,1948-23,1967), 1956, 9, 225-231
2310606 CIFAs F6 KR -3 m :H7.352; 7.352; 7.235
90; 90; 120
338.673Ibers, J.A.
A note on the least-squares method: The refinement of the structure of K As F6
Acta Crystallographica (1,1948-23,1967), 1956, 9, 967-969
2310611 CIFH K2 N O6 S2C 1 2/c 112.43; 7.458; 7.175
90; 90.18; 90
665.14Jeffrey, G. A.; Jones, D. W.
The Crystal Structure of Potassium Aminedisulphonate
Acta Crystallographica (1,1948-23,1967), 1956, 9, 283-289
2310621 CIFD2 YbP n m a5.871; 3.561; 6.763
90; 90; 90
141.392Korst, W.L.; Warf, J.C.
The crystal structure of the deuterides of ytterbium and europium
Acta Crystallographica (1,1948-23,1967), 1956, 9, 452-454
2310624 CIFAs Na O3P -18.07; 7.44; 7.32
90; 91.5; 104
426.288Liebau, F.
Ueber die Kristallstruktur des Natriumpolyarsenats, (Na As O3)x
Acta Crystallographica (1,1948-23,1967), 1956, 9, 811-817
2310630 CIFCa H6 O9 P2P -15.61; 11.89; 6.46
98.6; 118; 83.4
375.691MacLennan, G.; Beevers, C.A.
The Crystal Structure of Monocalcium Phosphate Monohydrate, Ca (H2 P O4)2 H2 O
Acta Crystallographica (1,1948-23,1967), 1956, 9, 187-190
2310636 CIFIn O4 PC m c m5.308; 7.851; 6.767
90; 90; 90
282.002Mooney, R.C.L.
Crystal Structure of Anhydrous Indium Phosphate and Thallic Phosphate by X-ray Diffraction
Acta Crystallographica (1,1948-23,1967), 1956, 9, 113-117
2310637 CIFO4 P TlC m c m5.395; 8.01; 7.071
90; 90; 90
305.566Mooney, R.C.L.
Crystal Structure of Anhydrous Indium Phosphate and Thallic Phosphate by X-ray Diffraction
Acta Crystallographica (1,1948-23,1967), 1956, 9, 113-117
2310638 CIFO4 P ScI 41/a m d :16.578; 6.578; 5.796
90; 90; 90
250.793Mooney, R.C.L.
The Structure of anhydrous scandium phosphate
Acta Crystallographica (1,1948-23,1967), 1956, 9, 677-678
2310639 CIFGa O4 PC 2 2 216.967; 6.967; 6.866
90; 90; 90
333.269Mooney, R.C.L.
The crystal structure of aluminum phosphate and gallium phosphate, low-cristobalite type
Acta Crystallographica (1,1948-23,1967), 1956, 9, 728-734
2310656 CIFHg OI m m 23.311; 5.526; 3.526
90; 90; 90
64.514Roth, W.L.
The Structure of Mercuric Oxide
Acta Crystallographica (1,1948-23,1967), 1956, 9, 277-280
2310659 CIFCl2 Hg4 O2C 1 2/c 119.53; 5.92; 9.48
90; 144; 90
644.245Scavnicar, S.
The crystal structure of oxy-mercuric-mercurous chloride, (Hg O)2 Hg2 Cl2
Acta Crystallographica (1,1948-23,1967), 1956, 9, 956-959
2310662 CIFLi2 O3 SiC m c 219.36; 5.395; 4.675
90; 90; 90
236.074Seemann, H.
Die Kristallstruktur des Lithiummetasilikates, (Li2 Si O3)x
Acta Crystallographica (1,1948-23,1967), 1956, 9, 251-252
2310666 CIFD1.628 HfF m -3 m4.681; 4.681; 4.681
90; 90; 90
102.569Sidhu, S.S.; Heaton, L.R.; Zauberis, D.D.
Neutron diffraction studies of hafnium-hydrogen and titanium-hydrogen systems
Acta Crystallographica (1,1948-23,1967), 1956, 9, 607-614
2310667 CIFBr F4 KI 4/m c m6.174; 6.174; 11.103
90; 90; 90
423.227Siegel, S.
The crystal structure of K Br F4
Acta Crystallographica (1,1948-23,1967), 1956, 9, 493-495
2310668 CIFCl6 Cs2 ThP -3 m 17.614; 7.614; 6.038
90; 90; 120
303.144Siegel, S.
The structures of Cs2 Th Cl6 and Cs2 U Cl6
Acta Crystallographica (1,1948-23,1967), 1956, 9, 827-827
2310669 CIFCl6 Cs2 UP -3 m 17.492; 7.492; 6.038
90; 90; 120
293.508Siegel, S.
The structures of Cs2 Th Cl6 and Cs2 U Cl6
Acta Crystallographica (1,1948-23,1967), 1956, 9, 827-827
2310680 CIFH4 Mg2 O9 Si2P 635.31; 5.31; 14.04
90; 90; 120
342.836Steinfink, H.; Brunton, G.
The crystal structure of amesite
Acta Crystallographica (1,1948-23,1967), 1956, 9, 487-492
2310685 CIFF6 Na SbF m -3 m8.184; 8.184; 8.184
90; 90; 90
548.147Teufer, G.
Bie Kristallstruktur des Natriumhexafluoroantimonats(V)
Acta Crystallographica (1,1948-23,1967), 1956, 9, 539-540
2310686 CIFF6 H2 Na O PI m m a7.962; 10.594; 6.116
90; 90; 90
515.881Teufer, G.; Bode, H.
Bie Kristallstruktur des wasserhaltigen Natriumhexafluorophosphats, Na P F6 H2 O
Acta Crystallographica (1,1948-23,1967), 1956, 9, 825-827
2310750 CIFCl IP 1 21/c 112.6; 4.38; 11.9
90; 119.5; 90
571.595Boswijk, K.H.; van der Heide, J.; Vos, A.; Wiebenga, E.H.
The crystal structure of I Cl-alpha
Acta Crystallographica (1,1948-23,1967), 1956, 9, 274-277
2310818 CIFI4 TeI 41/a m d :116.12; 16.12; 11.2
90; 90; 90
2910.37Blackmore, W.R.; Abrahams, S.C.; Kalnajs, J.
A Crystallographic Study of the Tellurium-Iodine System
Acta Crystallographica (1,1948-23,1967), 1956, 9, 295-296
2310829 CIFH4 N2 O2 SF d d 29.14; 16.85; 4.58
90; 90; 90
705.361Trueblood, K. N.; Mayer, S. W.
The crystal structure of sulfamide
Acta Crystallographica, 1956, 9, 628-634
2310850 CIFAl2 Be3 O18 Si6P 6/m c c9.51; 9.51; 9.11
90; 90; 120
713.526Peyronel, G.
The Crystal Structure of Baveno Bazzite
Acta Crystallographica (1,1948-23,1967), 1956, 9, 181-186
2310853 CIFF O2 TaP m -3 m3.896; 3.896; 3.896
90; 90; 90
59.137Frevel, L.K.; Rinn, H.W.
The crystal structure of Nb O2 F and Ta O2 F
Acta Crystallographica (1,1948-23,1967), 1956, 9, 626-627
2310903 CIFNi2 ThP 6/m m m3.95; 3.95; 3.83
90; 90; 120
51.752Florio, J.V.; Baenziger, N.C.; Rundle, R.E.
Compounds of thorium with transition metals. II. Systems with iron. cobalt and nickel
Acta Crystallographica (1,1948-23,1967), 1956, 9, 367-372
2310956 CIFMg2 ThF d -3 m :18.57; 8.57; 8.57
90; 90; 90
629.423Peterson, D.T.; Diljak, P.F.; Vold, C.L.
The structure of thorium-magnesium intermetallic compounds
Acta Crystallographica (1,1948-23,1967), 1956, 9, 1036-1037
2311002 CIFTh2 ZnI 4/m c m7.6; 7.6; 5.64
90; 90; 90
325.766Baenziger, N.C.; Snow, A.I.; Rundle, R.E.
Structures of the compounds Th2 Cu, Th Cu2, Th2 Zn and Th Hg3
Acta Crystallographica (1,1948-23,1967), 1956, 9, 93-94
2311003 CIFNi5 ThP 6/m m m4.97; 4.97; 4.01
90; 90; 120
85.78Florio, J.V.; Baenziger, N.C.; Rundle, R.E.
Compounds of thorium with transition metals. II. Systems with iron. cobalt and nickel
Acta Crystallographica (1,1948-23,1967), 1956, 9, 367-372
3000292 CIFCd0.92 Na Sn1.08P -6 m 24.9326; 4.9326; 10.8508
90; 90; 120
228.636Asamiya, Yuki; Yamada, Takahiro; Yamane, Hisanori
Synthesis and characterization of NaCd0.92Sn1.08, Na(Cd0.28Sn0.72)2, and Na2CdSn5 with three-dimensional Cd-Sn frameworks
Inorganics, 2021, 9, 19
3000293 CIFCd0.56 Na Sn1.44P 63/m m c4.8458; 4.8458; 7.7569
90; 90; 120
157.743Asamiya, Yuki; Yamada, Takahiro; Yamane, Hisanori
Synthesis and characterization of NaCd0.92Sn1.08, Na(Cd0.28Sn0.72)2, and Na2CdSn5 with three-dimensional Cd-Sn frameworks
Inorganics, 2021, 9, 19
3000294 CIFCd Na2 Sn5I -4 2 d6.427; 6.427; 22.8086
90; 90; 90
942.14Asamiya, Yuki; Yamada, Takahiro; Yamane, Hisanori
Synthesis and characterization of NaCd0.92Sn1.08, Na(Cd0.28Sn0.72)2, and Na2CdSn5 with three-dimensional Cd?Sn frameworks
Inorganics, 2021, 9, 19
4001652 CIFC28 H22 N2 O2P 1 21/c 13.9494; 26.391; 19.93
90; 95.3; 90
2068.4Saito, Toshiro; Liu, Chong-yang; Lynch, Vincent M.; Bard, Allen J.
Orientational Dependence of the Color and Photoconductivity of 1,4-Di-p-toluidinoanthraquinone Single Crystals
Chemistry of Materials, 1997, 9, 1318
4001655 CIFEu14 In Sb11I 41/a c d :217.28; 17.28; 23.129
90; 90; 90
6906Chan, Julia Y.; Wang, Mary E.; Rehr, Anette; Kauzlarich, Susan M.; Webb, David J.
Synthesis, Structure, and Magnetic Properties of the Rare-Earth Zintl Compounds Eu14MnPn11and Eu14InPn11(Pn = Sb, Bi)
Chemistry of Materials, 1997, 9, 2131
4001656 CIFBi11 Eu14 MnI 41/a c d :217.632; 17.632; 23.047
90; 90; 90
7165Chan, Julia Y.; Wang, Mary E.; Rehr, Anette; Kauzlarich, Susan M.; Webb, David J.
Synthesis, Structure, and Magnetic Properties of the Rare-Earth Zintl Compounds Eu14MnPn11and Eu14InPn11(Pn = Sb, Bi)
Chemistry of Materials, 1997, 9, 2131
4001750 CIFB4 Bi0.5 Fe3 O12 Y0.5R 3 2 :H9.563; 9.563; 7.575
90; 90; 120
599.931Cascales, C.; Monge, M.A.; Ruiz-Valero, C.; Gutierrez-Puebla, E.; Campa, J.A.; Rasines, I.
Crystal structure, magnetic order, and vibrational behavior in iron rare-earth borates
Chemistry of Materials (1,1989-), 1997, 9, 237-240
4001752 CIFB4 Fe3 La O12R 3 2 :H9.592; 9.592; 7.597
90; 90; 120
605.328Campa, J.A.; Rasines, I.; Cascales, C.; Ruiz-Valero, C.; Monge, M.A.; Gutierrez-Puebla, E.
Crystal structure, magnetic order, and vibrational behavior in iron rare-earth borates
Chemistry of Materials (1,1989-), 1997, 9, 237-240
4001753 CIFB4 Fe3 Nd O12R 3 2 :H9.578; 9.578; 7.605
90; 90; 120
604.198Monge, M.A.; Rasines, I.; Gutierrez-Puebla, E.; Ruiz-Valero, C.; Cascales, C.; Campa, J.A.
Crystal structure, magnetic order, and vibrational behavior in iron rare-earth borates
Chemistry of Materials (1,1989-), 1997, 9, 237-240
4029688 CIFC38 H27 Au Cl PP 1 21 110.1476; 15.7426; 10.5615
90; 115.257; 90
1525.9Sun, Yin-Wei; Xu, Qin; Shi, Min
Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.
Beilstein journal of organic chemistry, 2013, 9, 2224-2232
4029689 CIFC32 H23 Au Cl O PP 21 21 219.0411; 13.4833; 21.9878
90; 90; 90
2680.4Sun, Yin-Wei; Xu, Qin; Shi, Min
Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.
Beilstein journal of organic chemistry, 2013, 9, 2224-2232
4029690 CIFC36 H22 Au F6 I N2P 21 21 217.6103; 12.6408; 34.029
90; 90; 90
3273.6Sun, Yin-Wei; Xu, Qin; Shi, Min
Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.
Beilstein journal of organic chemistry, 2013, 9, 2224-2232
4029691 CIFC36 H22 Au F6 I N2P 21 21 219.6909; 18.5814; 36.0427
90; 90; 90
6490.2Sun, Yin-Wei; Xu, Qin; Shi, Min
Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.
Beilstein journal of organic chemistry, 2013, 9, 2224-2232
4029692 CIFC26 H16P 1 21/n 15.8492; 13.351; 21.102
90; 91.971; 90
1646.9Sun, Yin-Wei; Xu, Qin; Shi, Min
Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.
Beilstein journal of organic chemistry, 2013, 9, 2224-2232
4029693 CIFC15 H21 N O2P 1 21 17.626; 25.042; 8.473
90; 116.762; 90
1444.8Lefranc, Julien; Minassi, Alberto; Clayden, Jonathan
Carbolithiation of N-alkenyl ureas and N-alkenyl carbamates.
Beilstein journal of organic chemistry, 2013, 9, 628-632
4029694 CIFC21 H27 Cl N2 O2P b c n18.293; 22.343; 9.9739
90; 90; 90
4076.5Lefranc, Julien; Minassi, Alberto; Clayden, Jonathan
Carbolithiation of N-alkenyl ureas and N-alkenyl carbamates.
Beilstein journal of organic chemistry, 2013, 9, 628-632
4029695 CIFC10 H6 F3 N3 O3P 1 21 14.2681; 10.435; 24.586
90; 90.2; 90
1095Kurpet, Marta K.; Dąbrowska, Aleksandra; Jarosz, Małgorzata M; Kajewska-Kania, Katarzyna; Kuźnik, Nikodem; Suwiński, Jerzy W
Coupling of C-nitro-NH-azoles with arylboronic acids. A route to N-aryl-C-nitroazoles.
Beilstein journal of organic chemistry, 2013, 9, 1517-1525
4029696 CIF
HKL
C26.5 H36.5 N O8.25P 1 21 110.9397; 10.1557; 12.7466
90; 109.839; 90
1332.1Munro, Thomas A.; Xu, Wei; Ho, Douglas M.; Liu-Chen, Lee-Yuan; Cohen, Bruce M.
Studies toward bivalent κ opioids derived from salvinorin A: heteromethylation of the furan ring reduces affinity.
Beilstein journal of organic chemistry, 2013, 9, 2916-2924
4029697 CIFC46 H56 N6 O4 PdP 1 21/n 113.426; 10.1901; 16.699
90; 106.72; 90
2188Shaik, Jeelani Basha; Ramkumar, Venkatachalam; Varghese, Babu; Sankararaman, Sethuraman
Synthesis and structure of trans-bis(1,4-dimesityl-3-methyl-1,2,3-triazol-5-ylidene)palladium(II) dichloride and diacetate. Suzuki-Miyaura coupling of polybromoarenes with high catalytic turnover efficiencies.
Beilstein journal of organic chemistry, 2013, 9, 698-704
4029698 CIFC46 H56 Cl2 N8 PdI 41/a c d :214.7337; 14.7337; 43.098
90; 90; 90
9355.8Shaik, Jeelani Basha; Ramkumar, Venkatachalam; Varghese, Babu; Sankararaman, Sethuraman
Synthesis and structure of trans-bis(1,4-dimesityl-3-methyl-1,2,3-triazol-5-ylidene)palladium(II) dichloride and diacetate. Suzuki-Miyaura coupling of polybromoarenes with high catalytic turnover efficiencies.
Beilstein journal of organic chemistry, 2013, 9, 698-704
4029699 CIFC27 H22 N2 O SP 1 21/c 110.1246; 9.0703; 22.641
90; 92.224; 90
2077.6Kumar, Sandeep; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Tandon, Vishnu K.; Ram, Vishnu Ji
Direct alkenylation of indolin-2-ones by 6-aryl-4-methylthio-2H-pyran-2-one-3-carbonitriles: a novel approach.
Beilstein journal of organic chemistry, 2013, 9, 809-817
4029700 CIFC21 H19 N2 O1.5 S1.5P 1 21/c 119.5001; 8.4923; 22.8927
90; 92.088; 90
3788.5Kumar, Sandeep; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Tandon, Vishnu K.; Ram, Vishnu Ji
Direct alkenylation of indolin-2-ones by 6-aryl-4-methylthio-2H-pyran-2-one-3-carbonitriles: a novel approach.
Beilstein journal of organic chemistry, 2013, 9, 809-817
4029701 CIFC28 H46 Cl2 N6 O2 PdP 1 21/c 111.342; 18.0868; 7.672
90; 95.47; 90
1566.67Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio
Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications.
Beilstein journal of organic chemistry, 2013, 9, 1455-1462
4029702 CIFC28 H42 Cl2 N6 O4 PdP 1 21/n 111.2008; 13.5909; 11.5265
90; 111.563; 90
1631.86Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio
Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications.
Beilstein journal of organic chemistry, 2013, 9, 1455-1462
4029703 CIFC26 H38 Cl2 F2 I2 N6 PdP 1 21/c 124.09; 11.4512; 20.3122
90; 114.671; 90
5091.8Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio
Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications.
Beilstein journal of organic chemistry, 2013, 9, 1455-1462
4029704 CIFC14 H23 N3 OC 1 c 112.9; 13.63; 8.531
90; 90.176; 90
1500Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio
Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications.
Beilstein journal of organic chemistry, 2013, 9, 1455-1462
4029705 CIFC41 H46 O S3P -19.3945; 11.3837; 18.54
83.241; 79.382; 67.287
1795.3Zhong, Hao; Shi, Jianwu; Kang, Jianxun; Wang, Shaomin; Liu, Xinming; Wang, Hua
Ring-opening reaction of 2,5-dioctyldithieno[2,3-b:3',2'-d]thiophene in the presence of aryllithium reagents.
Beilstein journal of organic chemistry, 2013, 9, 767-774
4029706 CIFC14 H14 N4C 1 2/c 125.9277; 7.9561; 13.1658
90; 120.28; 90
2345.4Sell, Hanno; Näther, Christian; Herges, Rainer
Amino-substituted diazocines as pincer-type photochromic switches.
Beilstein journal of organic chemistry, 2013, 9, 1-7
4029707 CIFC16 H20 N4 O2C 1 m 15.1513; 25.835; 6.7094
90; 99.501; 90
880.7Sell, Hanno; Näther, Christian; Herges, Rainer
Amino-substituted diazocines as pincer-type photochromic switches.
Beilstein journal of organic chemistry, 2013, 9, 1-7

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