Crystallography Open Database

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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

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