Crystallography Open Database

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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
1568793 CIFC522 H496 N72 Ni52 O264F d -3 :257.933; 57.933; 57.933
90; 90; 90
194437Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong
Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.
IUCrJ, 2023, 10
1568794 CIFC540 H544 N60 Ni52 O264F d -3 :258.6; 58.6; 58.6
90; 90; 90
201230Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong
Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.
IUCrJ, 2023, 10
1568795 CIFC504 H442 Br18 N72 Ni52 O264F d -3 :258.069; 58.069; 58.069
90; 90; 90
195809Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong
Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.
IUCrJ, 2023, 10
1568796 CIFC522 H496 Co52 N72 O264F d -3 :258.38; 58.38; 58.38
90; 90; 90
198972Nguyen, Thanh Nhan; Nguyen, Anh Ngoc; Tran, Ngoc Minh; Park, In Hyeok; Yoo, Hyojong
Hierarchical packing of racemic metallosupramolecular cages with Ni(II)-based triple-stranded helicate building blocks.
IUCrJ, 2023, 10
1568921 CIF
Paper
C32 H31 K O14P 1 2/n 111.2185; 10.2204; 13.5244
90; 106.427; 90
1487.38Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.
Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.
IUCrJ, 2023, 10
1568922 CIFC34 H33 K O13C 1 2/c 119.4072; 20.4384; 17.3645
90; 104.006; 90
6682.9Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.
Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.
IUCrJ, 2023, 10
1568923 CIFC33 H31 K O13C 1 2/c 119.6211; 20.3628; 17.2684
90; 104.282; 90
6686.19Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.
Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.
IUCrJ, 2023, 10
1568924 CIFC16 H19 K O9P b c a13.9343; 7.8657; 31.4425
90; 90; 90
3446.19Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.
Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.
IUCrJ, 2023, 10
1568925 CIFC16 H13.5 Na0.5 O6P 1 2/n 110.7741; 9.6357; 13.8452
90; 107.103; 90
1373.79Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.
Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.
IUCrJ, 2023, 10
1568926 CIFC36 H39 Na O14P -110.8865; 10.9884; 16.1451
81.871; 74.681; 68.049
1725.73Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.
Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.
IUCrJ, 2023, 10
1568927 CIFC16 H15 Na O7P 1 21/c 111.0666; 13.2714; 10.0412
90; 94.43; 90
1470.34Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.
Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.
IUCrJ, 2023, 10
1569195 CIF
Paper
Al7.44 Ca2.62 K2.63 Mg0.6 Na0.13 O100.8 Si28.56P 63/m m c13.2708; 13.2708; 15.0958
90; 90; 120
2302.4Giacobbe, Carlotta; Moliterni, Anna; Di Giuseppe, Dario; Malferrari, Daniele; Wright, Jonathan P.; Mattioli, Michele; Ranieri, Simona; Giannini, Cinzia; Fornasini, Laura; Mugnaioli, Enrico; Ballirano, Paolo; Gualtieri, Alessandro F.
The crystal structure of the killer fibre erionite from Tuzköy (Cappadocia, Turkey).
IUCrJ, 2023
1569410 CIF
Paper
C12 H12 N10 O7P 1 2/c 18.0781; 4.793; 18.345
90; 90.223; 90
710.28Bravetti, Federica; Tapmeyer, Lukas; Skorodumov, Kathrin; Alig, Edith; Habermehl, Stefan; Hühn, Robert; Bordignon, Simone; Gallo, Angelo; Nervi, Carlo; Chierotti, Michele R.; Schmidt, Martin U.
Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D.
IUCrJ, 2023, 10, 448-463
1569411 CIF
Paper
C6 H5.34 N5 O3.17P 1 2/c 18.10257; 4.83656; 17.8289
90; 88.531; 90
698.46Bravetti, Federica; Tapmeyer, Lukas; Skorodumov, Kathrin; Alig, Edith; Habermehl, Stefan; Hühn, Robert; Bordignon, Simone; Gallo, Angelo; Nervi, Carlo; Chierotti, Michele R.; Schmidt, Martin U.
Leucopterin, the white pigment in butterfly wings: structural analysis by PDF fit, FIDEL fit, Rietveld refinement, solid-state NMR and DFT-D.
IUCrJ, 2023, 10, 448-463
1569412 CIF
Paper
C53.14 H44.05 I6 N12 O1.01 Zn3C 1 2/c 135.5224; 14.9127; 30.922
90; 102.4; 90
15998.3Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.
A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges
IUCrJ, 2023, 10, 497-508
1569413 CIFC55.92 H45.25 I6 N12 O1.33 Zn3C 1 2/c 135.6703; 14.9029; 30.5678
90; 102.121; 90
15887.3Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.
A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges
IUCrJ, 2023, 10, 497-508
1569414 CIFC53.17 H48.75 I6.01 N12 O0.62 Zn3.01P -114.8189; 19.1026; 31.814
101.557; 92.34; 110.826
8184.8Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.
A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges
IUCrJ, 2023, 10, 497-508
1569415 CIFC45.94 H34.64 I6 N12.54 O0.54 Zn3C 1 2/c 135.62; 14.9567; 30.9945
90; 102.899; 90
16095.9Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.
A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges
IUCrJ, 2023, 10, 497-508
1569416 CIFC45.57 H34.77 I6 N12 O1.2 Zn3C 1 2/c 135.3379; 14.8649; 31.6259
90; 102.979; 90
16188.5Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.
A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges
IUCrJ, 2023, 10, 497-508
1569417 CIFC50.67 H46.7 I6 N12 O1.42 Zn3P 1 2/n 131.5077; 14.9991; 34.4289
90; 102.086; 90
15910Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.
A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges
IUCrJ, 2023, 10, 497-508
1569418 CIFC54.39 H49.06 I6 N12 O3.35 Zn3C 1 2/c 134.533; 15.0103; 30.9081
90; 101.4; 90
15705.2Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.
A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges
IUCrJ, 2023, 10, 497-508
1569419 CIFC56.93 H43.09 I6.02 N12 O1.61 Zn3.01C 1 2/c 135.4079; 14.9066; 31.8633
90; 103.664; 90
16341.8Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.
A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges
IUCrJ, 2023, 10, 497-508
1569420 CIFC44.23 H30.91 F0.63 I6 N12 O0.63 Zn3C 1 2/c 135.6889; 14.8458; 31.8064
90; 103.685; 90
16373.6Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.
A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges
IUCrJ, 2023, 10, 497-508
1569421 CIFC48.16 H34.29 F0.94 I6 N12 O0.94 Zn3C 1 2/c 135.7099; 14.85945; 31.593
90; 103.011; 90
16333.8Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.
A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges
IUCrJ, 2023, 10, 497-508
1569422 CIFC22.86 H16.22 I3.75 N6 O0.37 Zn1.5P -114.778; 18.2345; 30.797
98.227; 91.736; 113.055
7523.4Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.
A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges
IUCrJ, 2023, 10, 497-508
1569423 CIFC49.98 H38.21 I6 N12 O Zn3C 1 2/c 135.5509; 14.9182; 30.8851
90; 102.449; 90
15995Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.
A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges
IUCrJ, 2023, 10, 497-508
1569424 CIFC48.24 H36.74 I6 N12 O0.53 Zn3C 1 2/c 134.9529; 14.9266; 30.7318
90; 101.777; 90
15696.1Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J.
A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges
IUCrJ, 2023, 10, 497-508
1569763 CIF
Paper
C9 H14 N2 O4P 1 21/n 17.884; 7.2121; 16.7362
90; 94.4437; 90
948.76Saifina, Alina F.; Kartashov, Sergey V.; Saifina, Liliya F.; Fayzullin, Robert R.
Applicability of transferable multipole pseudo-atoms for restoring inner-crystal electronic force density fields. Chemical bonding and binding features in the crystal and dimer of 1,3-bis(2-hydroxyethyl)-6-methyluracil
IUCrJ, 2023, 10, 584-602
1569894 CIF
Paper
C14 H16 N2 O10 ZnP 1 21/c 19.4322; 11.3669; 16.0822
90; 106; 90
1657.46Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng
A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.
IUCrJ, 2023, 10
1569895 CIFC14 H16 Co N2 O10P 43 21 210.2539; 10.2539; 30.4058
90; 90; 90
3196.9Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng
A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.
IUCrJ, 2023, 10
1569896 CIFC24 H18 N4 O7 ZnP -18.5332; 9.6081; 14.1363
95.32; 97.103; 104.473
1104.36Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng
A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.
IUCrJ, 2023, 10
1569897 CIFC24 H20 Co N4 O8P -17.7901; 10.0895; 15.5233
94.751; 101.411; 107.809
1125.17Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng
A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.
IUCrJ, 2023, 10
1569898 CIFC24 H18 Cu N4 O7P 1 21/n 17.2074; 16.8579; 18.3599
90; 100.371; 90
2194.31Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng
A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.
IUCrJ, 2023, 10
1569899 CIFC24 H18 N4 O6C 1 2/c 112.02; 11.953; 14.174
90; 103.163; 90
1982.9Guan, Lei; Wang, Ying; Jin, Hongzhe; Yin, Pengpeng
A new route for the syntheses of coordination polymers using magnetic influence: syntheses, crystal structures and fluorescence properties.
IUCrJ, 2023, 10

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