Crystallography Open Database

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1570607 CIF
Paper
Na0.23 O2.17 Si1.04F d -3 m :225; 25; 25
90; 90; 90
15625Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong
STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials.
IUCrJ, 2024, 11, 62-72
1570608 CIFNa21.6 O201.92 Si96F d -3 m :225; 25; 25
90; 90; 90
15625Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong
STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials.
IUCrJ, 2024, 11, 62-72
1570609 CIFNa156 O2880 Si1440I -4 3 m43.269; 43.269; 43.269
90; 90; 90
81008Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong
STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials.
IUCrJ, 2024, 11, 62-72
1571086 CIFC15 H11 Br N2 O4P -15.1722; 11.4102; 12.6516
76.401; 85.975; 80.371
715.12Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer
Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.
IUCrJ, 2024, 11, 224-236
1571087 CIFC16 H11 F3 N2 O4C 1 2/c 128.3874; 4.9666; 21.326
90; 95.807; 90
2991.3Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer
Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.
IUCrJ, 2024, 11, 224-236
1571088 CIFC16 H14 N2 O4P 1 21/c 18.5818; 21.8411; 7.7116
90; 95.273; 90
1439.31Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer
Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.
IUCrJ, 2024, 11, 224-236
1571089 CIFC17 H13 N O6P 1 21/n 111.6158; 7.6829; 16.7602
90; 103.279; 90
1455.74Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer
Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.
IUCrJ, 2024, 11, 224-236
1571090 CIFC12 H9 N4 O4P n a 2126.172; 3.9741; 11.4267
90; 90; 90
1188.5Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer
Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.
IUCrJ, 2024, 11, 224-236
1571127 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.5688; 4.0772; 15.9523
90; 104.783; 90
1230.64Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571128 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.55; 4.0396; 15.854
90; 104.96; 90
1209.6Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571129 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.561; 4.001; 15.776
90; 105.08; 90
1192.2Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571130 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.582; 3.9289; 15.625
90; 105.3; 90
1159.5Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571131 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.581; 3.9351; 15.64
90; 105.31; 90
1162.3Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571132 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.604; 3.8747; 15.531
90; 105.37; 90
1137.5Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571133 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.612; 3.8444; 15.462
90; 105.61; 90
1122.8Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571134 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.598; 3.8374; 15.442
90; 105.76; 90
1117.7Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571135 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.631; 3.7932; 15.352
90; 105.95; 90
1099.2Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571136 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.635; 3.7664; 15.296
90; 106.03; 90
1087.2Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571137 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.647; 3.7198; 15.191
90; 106.21; 90
1066.1Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571138 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.647; 3.7375; 15.222
90; 106.12; 90
1073.8Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571139 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.662; 3.7264; 15.211
90; 106.16; 90
1070.5Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571140 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.648; 3.7139; 15.171
90; 106.08; 90
1063.7Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571141 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.67; 3.6881; 15.112
90; 106.48; 90
1051.3Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571142 CIF
Paper
C13 H12 N2 O4C 1 2/c 119.687; 3.6609; 15.043
90; 106.48; 90
1039.6Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571143 CIF
Paper
C13 H12 N2 O4P 1 21/c 18.412; 7.9665; 15.576
90; 103.33; 90
1015.7Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571144 CIF
Paper
C13 H12 N2 O4P 1 21/c 18.438; 7.9032; 15.425
90; 103.18; 90
1001.6Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
1571145 CIF
Paper
C13 H12 N2 O4P 1 21/c 18.4; 7.886; 15.389
90; 103.93; 90
989.4Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel
The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.
IUCrJ, 2024, 11, 168-181
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
1571262 CIF
Paper
C5 H6 N2 O2I b a m13.1931; 13.214; 6.213
90; 90; 90
1083.14Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria
Dynamical refinement with multipolar electron scattering factors.
IUCrJ, 2024, 11
1571263 CIF
Paper
C5 H6 N2 O2I b a m13.1931; 13.214; 6.213
90; 90; 90
1083.14Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria
Dynamical refinement with multipolar electron scattering factors.
IUCrJ, 2024, 11
1571264 CIF
Paper
C5 H6 N2 O2I b a m13.1931; 13.214; 6.213
90; 90; 90
1083.14Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria
Dynamical refinement with multipolar electron scattering factors.
IUCrJ, 2024, 11
1571596 CIF
Paper
C41 H30 N4 OI 41/a :220.7; 20.7; 8.8
90; 90; 90
3771Bourda, Laurens; Bhandary, Subhrajyoti; Ito, Sho; Göb, Christian R; Van Der Voort, Pascal; Van Hecke, Kristof
Analysis of COF-300 synthesis: probing degradation processes and 3D electron diffraction structure.
IUCrJ, 2024, 11
1571597 CIF
Paper
C20 H14 O2P 1 21/c 17.1511; 10.90793; 17.7744
90; 102.494; 90
1353.63Zwolenik, A.; Tchoń, D; Makal, A.
Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.
IUCrJ, 2024, 11
1571598 CIFC20 H14 O2P 1 21/c 17.235; 11.2573; 17.7365
90; 103.701; 90
1403.47Zwolenik, A.; Tchoń, D; Makal, A.
Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.
IUCrJ, 2024, 11
1571599 CIFC20 H14 O2P 1 21/c 17.235; 11.2573; 17.7365
90; 103.701; 90
1403.47Zwolenik, A.; Tchoń, D; Makal, A.
Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.
IUCrJ, 2024, 11
1571600 CIFC20 H14 O2P 1 21/c 16.9685; 10.7405; 17.5252
90; 101.697; 90
1284.44Zwolenik, A.; Tchoń, D; Makal, A.
Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.
IUCrJ, 2024, 11
1571601 CIFC20 H14 O2P 1 21/c 16.9685; 10.7405; 17.5252
90; 101.697; 90
1284.44Zwolenik, A.; Tchoń, D; Makal, A.
Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.
IUCrJ, 2024, 11
1571602 CIFC20 H14 O2P 1 21/c 16.90862; 10.655; 17.4709
90; 101.448; 90
1260.47Zwolenik, A.; Tchoń, D; Makal, A.
Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.
IUCrJ, 2024, 11
1571603 CIFC20 H14 O2P 1 21/c 16.8196; 10.5519; 17.3617
90; 100.735; 90
1227.5Zwolenik, A.; Tchoń, D; Makal, A.
Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.
IUCrJ, 2024, 11
1571772 CIF
Paper
C29 H21 N O7C 2 2 2115.311; 23.948; 7.27
90; 90; 90
2666Sobczak, Szymon; Katrusiak, Andrzej
Structural insight into piezo-solvatochromism of Reichardt's dye.
IUCrJ, 2024, 11
1571773 CIFC33 H37 N O5P 1 21/n 110.4704; 19.8; 13.3135
90; 95.819; 90
2746Sobczak, Szymon; Katrusiak, Andrzej
Structural insight into piezo-solvatochromism of Reichardt's dye.
IUCrJ, 2024, 11
1571774 CIFC33 H37 N O5P 1 21/n 110.425; 19.26; 13.112
90; 95.7; 90
2620Sobczak, Szymon; Katrusiak, Andrzej
Structural insight into piezo-solvatochromism of Reichardt's dye.
IUCrJ, 2024, 11
1571775 CIFC37 H45 N O6R 3 c :H24.062; 24.062; 31.259
90; 90; 120
15674Sobczak, Szymon; Katrusiak, Andrzej
Structural insight into piezo-solvatochromism of Reichardt's dye.
IUCrJ, 2024, 11
1571776 CIFC37 H45 N O6R 3 c :H23.645; 23.645; 30.91
90; 90; 120
14966Sobczak, Szymon; Katrusiak, Andrzej
Structural insight into piezo-solvatochromism of Reichardt's dye.
IUCrJ, 2024, 11
1571818 CIF
Paper
C15 H16 O3I 1 2/a 123.913; 7.635; 27.048
90; 93.244; 90
4930.4Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1571819 CIF
Paper
C115.57 H79.8 I18 N36 O1.52 Zn9C 1 2/c 178.549; 14.9682; 41.688
90; 99.709; 90
48312Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1571820 CIF
Paper
C46.36 H44.73 I6 N12 Zn3C 1 2/c 134.3474; 15.1342; 29.5974
90; 100.42; 90
15131.6Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1571821 CIF
Paper
C127.68 H101.08 I18 N36 O2.2 Zn9C 1 2/c 178.299; 14.9565; 41.6827
90; 99.929; 90
48083Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11
1571822 CIF
Paper
C36 H24 I6 N12 Zn3C 1 2/c 134.4506; 15.0594; 30.1018
90; 100.834; 90
15338.6Carroll, Robert C.; Coles, Simon J.
Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.
IUCrJ, 2024, 11

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