Crystallography Open Database

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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'

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2312486 CIF
Paper
C9 H9 Cl2 N5 OP 1 21/n 19.3283; 9.8379; 12.9148
90; 101.405; 90
1161.8Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312487 CIF
Paper
C11 H13 Cl2 N5 OP 1 21/n 17.6894; 11.3816; 15.9147
90; 92.71; 90
1391.26Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312488 CIF
Paper
C11 H13 Cl2 N5 OC 1 2/c 121.268; 10.45; 19.085
90; 136.662; 90
2911Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312489 CIF
Paper
C12 H13 Cl2 N5 OP -17.1227; 10.6434; 10.9101
94.031; 100.823; 107.105
769.47Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312490 CIF
Paper
C15 H23 Cl2 N5 O2P 1 21/n 110.5757; 12.8768; 15.0121
90; 95.258; 90
2035.8Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312491 CIF
Paper
C13 H17 Cl2 N5 OP -110.8596; 11.4487; 15.5823
98.562; 101.242; 115.425
1655.9Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312492 CIF
Paper
C17 H27 Cl2 N5 O2P -17.437; 10.302; 14.811
79.7; 85.34; 88.71
1112.7Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312493 CIF
Paper
C14 H21 Cl2 N5 O2P -17.6284; 8.5181; 14.519
84.043; 75.989; 85.943
909.41Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312494 CIF
Paper
C23 H17 Cl2 N7P -110.3096; 10.6257; 12.0489
74.28; 75.318; 67.161
1154.46Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312495 CIF
Paper
C11 H10 Cl2 N6P -17.9855; 8.6004; 10.9109
69.598; 82.227; 82.015
692.48Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312496 CIF
Paper
C11 H13 Cl2 N5 O SP 1 21/n 110.6626; 7.3529; 19.6714
90; 92.096; 90
1541.23Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312497 CIF
Paper
C24 H26 Cl4 N10 O3P -110.2684; 10.7665; 14.9036
71.197; 78.435; 74.957
1493.9Pavlović, Gordana; Lekšić, Edislav; Meštrović, Ernest
Supramolecular synthons in hydrates and solvates of lamotrigine: a tool for cocrystal design.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312498 CIFGe4 N4 O4 SnP 63 m c5.876; 5.876; 9.418
90; 90; 120
281.6Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312499 CIFGe4.158 N4 O4 Sn0.842P 63 m c5.839; 5.839; 9.365
90; 90; 120
276.51Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312500 CIFGe24 N24 O24 Sn6R -3 m :H5.846; 5.846; 28.23
90; 90; 120
835.5Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312501 CIFGe24 N24 O24 Sn6R -3 m :H5.846; 5.846; 28.23
90; 90; 120
835.5Gollé-Leidreiter, Philipp; Bhat, Shrikant; Wiehl, Leonore; Wen, Qingbo; Kroll, Peter; Ishikawa, Ryo; Etter, Martin; Farla, Robert; Ikuhara, Yuichi; Riedel, Ralf; Kolb, Ute
Crystal structures of two new high-pressure oxynitrides with composition SnGe<sub>4</sub>N<sub>4</sub>O<sub>4</sub>, from single-crystal electron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312502 CIF
HKL
Cs4 H5 O16 P S3C 1 2/c 119.95; 7.856; 8.98
90; 100.12; 90
1386Makarova, Irina P.; Isakova, Natalia N.; Kalyukanov, Andrey I.; Gainutdinov, Radmir V.; Tolstikhina, Alla L.; Komornikov, Vladimir A.
Features of the crystal structure and surface of superprotonic conductor caesium hydrogen sulfate phosphate.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312533 CIF
Paper
C9 H12 N6 O3 S3P 1 21/c 114.4914; 5.1924; 19.8863
90; 91.457; 90
1495.86Ben, Anna; Hoelm, Marta; Chęcińska, Lilianna
Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 294-304
2312534 CIF
Paper
C29 H31.32 Cl2 N7 O4.16 S3P 1 21/c 113.0291; 10.9297; 23.8029
90; 102.897; 90
3304.12Ben, Anna; Hoelm, Marta; Chęcińska, Lilianna
Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 294-304
2312535 CIF
Paper
C39 H31 Cl8 N7 O2 S3P -18.7764; 15.8851; 16.5229
88.869; 80.569; 74.929
2193.6Ben, Anna; Hoelm, Marta; Chęcińska, Lilianna
Supramolecular architectures in multicomponent crystals of imidazole-based drugs and trithiocyanuric acid.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 294-304
2312594 CIF
Paper
Ca5.79 K0.72 Na1.71 O19 Si6P 41 2 27.3659; 7.3659; 32.2318
90; 90; 90
1748.78Kahlenberg, Volker; Krüger, Hannes; Garber, Sonja; Krüger, Biljana; Libowitzky, Eugen; Kröll, Stefanie; Hofer, Thomas S.; Gallmetzer, Josef M.; Purtscher, Felix R. S.
K<sub>0.72</sub>Na<sub>1.71</sub>Ca<sub>5.79</sub>Si<sub>6</sub>O<sub>19</sub> - the first oligosilicate based on [Si<sub>6</sub>O<sub>19</sub>]-hexamers and its stability compared to cyclosilicates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 474-487
2312595 CIF
HKL
C10 H53 N14.4 O37.6 V10P 1 21/c 113.4299; 12.4338; 14.4959
90; 111.519; 90
2251.9Chatkon, Aungkana; Haller, Kenneth J.; Haller, Joseph P.
Substitutional/positional disorder of biguanide and guanylurea in the structure of a decavanadate complex [(Bg)(HV<sub>10</sub>O<sub>28</sub><sup>5-</sup>)]<sub>0.4</sub>[(HGU<sup>+</sup>)(V<sub>10</sub>O<sub>28</sub><sup>6-</sup>)]<sub>0.6</sub>(H<sub>2</sub>Met<sup>2+</sup>)<sub>2</sub>(H<sub>3</sub>O<sup>+</sup>)·8H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 456-466
2312623 CIFC12 H56 Co2 N12 O17 V4P -18.6226; 8.9645; 12.8206
81.491; 71.357; 65.064
851.36Vosegaard, Emilie Skytte; Mamakhel, Mohammad Aref Hasen; Parmar, Vijay Singh; Bertelsen, Andreas Dueholm; Iversen, Bo Brummerstedt
Synthesis and characterization of an organic-inorganic hybrid crystal: 2[Co(en)<sub>3</sub>](V<sub>4</sub>O<sub>13</sub>)·4H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 488-494
2312624 CIF
HKL
C Mo Si2 Y2P 4/m b m6.9525; 6.9525; 4.1962
90; 90; 90
202.83Vernière, Anne; Diop, Léopold V B; Sarr, Ibrahima; Schweitzer, Thierry; Malaman, Bernard
Crystal structure of new quaternary intermetallic compounds R<sub>2</sub>MoSi<sub>2</sub>C (R = Y, Gd).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 504-508
2312625 CIF
HKL
C Gd2 Mo Si2P 4/m b m6.9945; 6.9945; 4.202
90; 90; 90
205.57Vernière, Anne; Diop, Léopold V B; Sarr, Ibrahima; Schweitzer, Thierry; Malaman, Bernard
Crystal structure of new quaternary intermetallic compounds R<sub>2</sub>MoSi<sub>2</sub>C (R = Y, Gd).
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 504-508
2312626 CIFC Cl2 SP 63/m6.0132; 6.0132; 6.513
90; 90; 120
203.95Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312627 CIF
Paper
C Cl2 SP 63/m5.947142; 5.947142; 6.236672
90; 90; 120
191.029Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312628 CIF
Paper
C Cl2 SP 63/m5.948306; 5.948306; 6.241408
90; 90; 120
191.249Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312629 CIF
Paper
C Cl2 SP 63/m5.94993; 5.94993; 6.248669
90; 90; 120
191.576Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312630 CIF
Paper
C Cl2 SP 63/m5.951973; 5.951973; 6.257723
90; 90; 120
191.986Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312631 CIF
Paper
C Cl2 SP 63/m5.954232; 5.954232; 6.268135
90; 90; 120
192.451Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312632 CIF
Paper
C Cl2 SP 63/m5.956673; 5.956673; 6.279521
90; 90; 120
192.959Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312633 CIF
Paper
C Cl2 SP 63/m5.959287; 5.959287; 6.291645
90; 90; 120
193.501Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312634 CIF
Paper
C Cl2 SP 63/m5.961975; 5.961975; 6.304428
90; 90; 120
194.069Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312635 CIF
Paper
C Cl2 SP 63/m5.964911; 5.964911; 6.317775
90; 90; 120
194.672Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312636 CIF
Paper
C Cl2 SP 63/m5.967823; 5.967823; 6.331802
90; 90; 120
195.294Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312637 CIF
Paper
C Cl2 SP 63/m5.970876; 5.970876; 6.346393
90; 90; 120
195.945Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312638 CIF
Paper
C Cl2 SP 63/m5.973921; 5.973921; 6.361643
90; 90; 120
196.616Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312639 CIF
Paper
C Cl2 SP 63/m5.977085; 5.977085; 6.377402
90; 90; 120
197.312Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312640 CIF
Paper
C Cl2 SP 63/m5.98029; 5.98029; 6.393824
90; 90; 120
198.032Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312641 CIF
Paper
C Cl2 SP 63/m5.983549; 5.983549; 6.410593
90; 90; 120
198.768Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312642 CIF
Paper
C Cl2 SP 63/m5.986904; 5.986904; 6.42811
90; 90; 120
199.535Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312643 CIF
Paper
C Cl2 SP 63/m5.990647; 5.990647; 6.446911
90; 90; 120
200.369Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312644 CIF
Paper
C Cl2 SP 63/m5.994491; 5.994491; 6.46654
90; 90; 120
201.237Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312645 CIF
Paper
C Cl2 SP 63/m5.998426; 5.998426; 6.487189
90; 90; 120
202.144Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312646 CIF
Paper
C Cl2 SP 63/m6.0025; 6.0025; 6.50883
90; 90; 120
203.094Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312647 CIF
Paper
C Cl2 SP 63/m6.006775; 6.006775; 6.53172
90; 90; 120
204.099Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312648 CIF
Paper
C Cl2 SP 63/m6.011293; 6.011293; 6.55562
90; 90; 120
205.154Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
A comprehensive characterization of thiophosgene in the solid state
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80, 495-503
2312665 CIF
HKL
Paper
C10 H2 K2 N10 O4C 1 2/c 134.434; 3.41097; 28.253
90; 126.49; 90
2667.9Gaydamaka, A. A.; Rashchenko, S. V.
Crystal structure of the incommensurate modulated high-pressure phase of the potassium guaninate monohydrate.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 676-681
2312698 CIF
HKL
C5 H16 N2 O4 S2P 1 21/c 16.6308; 12.4415; 12.6936
90; 100.074; 90
1031.04Charkin, Dmitri O.; Banaru, Alexandru M.; Ivanov, Semen A.; Kireev, Vadim E.; Aksenov, Sergey M.
A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S<sub>2</sub>O<sub>3</sub>·H<sub>2</sub>O versus 1-methylpiperazinediium·S<sub>2</sub>O<sub>3</sub>·3H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 706-714
2312699 CIF
HKL
C10 H32 N4 O6 S2P 1 21/n 115.3506; 7.363; 16.3573
90; 90.237; 90
1848.79Charkin, Dmitri O.; Banaru, Alexandru M.; Ivanov, Semen A.; Kireev, Vadim E.; Aksenov, Sergey M.
A contribution to the crystal chemistry and topology of organic thiosulfates: bis(1-methylpiperazinium)·S<sub>2</sub>O<sub>3</sub>·H<sub>2</sub>O versus 1-methylpiperazinediium·S<sub>2</sub>O<sub>3</sub>·3H<sub>2</sub>O.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 706-714
2312700 CIF
HKL
Paper
C13 H12 F N3 O5P -16.5047; 7.171; 13.9389
81.8901; 81.0672; 86.6887
635.45Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312701 CIF
HKL
Paper
C11 H8 Cl F N4 O5P 1 2/n 19.632; 8.42; 16.959
90; 96.781; 90
1365.8Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312702 CIF
HKL
Paper
C11 H11 F2 N6 O3P -17.2912; 9.3029; 10.7855
110.756; 99.6967; 95.2484
665.19Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312703 CIF
HKL
Paper
C22 H22 F4 N12 O6P -17.2415; 10.1036; 10.6423
111.517; 99.093; 110.41
641.36Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312704 CIF
HKL
Paper
C24 H24 F3 N9 O7P 1 21/c 17.252; 36.579; 10.195
90; 107.559; 90
2578Kanagavel, Manimurugan; Balasubramanian, Sridhar; Nechipadappu, Sunil Kumar
Variable stoichiometry and a salt-cocrystal intermediate in multicomponent systems of flucytosine: structural elucidation and their impact on stability.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 793-806
2312705 CIF
HKL
Paper
C40 H32.6 Cu4 Mo4 N8 O16.3P 1 21/c 19.7136; 23.759; 19.9289
90; 103.035; 90
4480.8Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia
Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 782-792
2312706 CIF
HKL
C10 H9 Cu2 Mo2 N2 O8.5P -15.612; 5.7724; 12.4665
95.99; 93.999; 110.227
374.444Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia
Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 782-792
2312707 CIF
HKL
C40 H32.8 Cu4 Mo4 N8 O15.4P b c n11.694; 9.0285; 21.3258
90; 90; 90
2251.56Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia
Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 782-792
2312708 CIFC40 H32 Cu4 Mo8 N8 O26P 1 21/c 110.86409; 11.244; 21.9304
90; 94.1363; 90
2671.95Moya, Marielsys; Liendo-Polanco, Gustavo R; Atencio, Reinaldo; Silva, Pedro; Henao, Jose A.; Bruno-Colmenares, Julia
Coordination geometry flexibility driving supramolecular isomerism of Cu/Mo pillared-layer hybrid networks.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 782-792
2312709 CIF
HKL
Paper
C17 H23 I N2P 1 21 15.76; 7.9063; 17.6186
90; 97.412; 90
795.65Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312710 CIF
HKL
Paper
C18 H32 I2 N2 O3C 1 2/c 124.6407; 8.3854; 11.0576
90; 92.245; 90
2282.99Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312711 CIF
HKL
Paper
C26 H50 I6 N2 O4 S4P -19.7562; 13.3158; 18.6498
72.055; 86.424; 73.147
2205Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312712 CIF
HKL
Paper
C22 H42 N2 O10P b c n25.1134; 8.387; 11.857
90; 90; 90
2497.39Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312713 CIF
HKL
Paper
C22 H40 N2 O10P b c n24.8529; 8.3869; 11.939
90; 90; 90
2488.55Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312714 CIF
HKL
Paper
C108 H224 N12 O70 V12P -19.0744; 17.4077; 25.1209
92.859; 94.838; 101.799
3861.35Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312715 CIF
HKL
Paper
C34 H48 N2 O14P 1 21/c 112.9176; 8.8157; 15.5173
90; 99.836; 90
1741.1Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312716 CIF
HKL
Paper
C60 H80 N4 O18P -110.0218; 11.3143; 13.6143
92.431; 90.386; 113.564
1413.25Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312717 CIF
HKL
Paper
C54 H54 N2 Na2 O18P -4 21 c17.1314; 17.1314; 35.164
90; 90; 90
10320.1Kanthapazham, Rajakumar; Osipov, Artyom A.; Zherebtsov, Dmitry A.; Efremov, Andrey N.; Nayfert, Sergey A.; Adonin, Sergey A.; Spiridonova, Dar'ya V.; Atapin, Sergey V.
Structures of hexamethyl-[1,1'-biphenyl]-4,4'-diammonium salts.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 751-759
2312718 CIF
HKL
C15 H13.968 O8.984P -13.7244; 13.05; 14.982
71.986; 83.86; 85.624
687.8Bibila Mayaya Bisseyou, Yvon; Wright, Jonathan; Jelsch, Christian
Conformational disorder in quercetin dihydrate revealed from ultrahigh-resolution synchrotron diffraction.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 766-781
2312719 CIF
Paper
Cu0 H O13 P3 Pb5P n m a13.5137; 10.2904; 9.3838
90; 90; 90
1304.92Xu, Mingyu; Wang, Haozhe; Vojvodin, Cameron; Yarava, Jayasubba Reddy; Wang, Tuo; Xie, Weiwei
Polymorphism of Pb<sub>5</sub>(PO<sub>4</sub>)<sub>3</sub>OH<sub>δ</sub> within the LK-99 mixture.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 746-750
2312726 CIF
HKL
Paper
Ni3 O8 V2C m c e5.93384; 11.38318; 8.23818
90; 90; 90
556.456Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk
Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 715-723
2312727 CIF
HKL
Ni3 O8 V2C m c e5.9324; 11.38492; 8.23893
90; 90; 90
556.457Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk
Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 715-723
2312728 CIF
HKL
Ni3 O8 V2C m c e6.02077; 11.48838; 8.32611
90; 90; 90
575.908Aziz, Fiza; Paszkowicz, Wojciech; Minikayev, Roman; Martin, Christine; Kozlowski, Miroslaw; Teisseyre, Henryk
Crystal structure of nickel orthovanadate (Ni<sub>3</sub>V<sub>2</sub>O<sub>8</sub>) at 299 (3) K and 1323 (8) K: an X-ray diffraction study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 715-723
2312737 CIF
HKL
Ca0.31 Mn0.14 Na5 O12 P3 Zn1.55P n a 2112.9901; 16.2647; 5.2158
90; 90; 90
1101.99Yakubovich, Olga V.; Kiriukhina, Galina V.; Volkov, Anatoly S.; Dimitrova, Olga V.
A rare case of Na/Zn isomorphism in the crystal structure of acentric zincophosphate Na<sub>5</sub>Zn[Zn(PO<sub>4</sub>)<sub>3</sub>].
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312749 CIF
Paper
Fe0.13 Li0.13 Mg0.73 O3 SiP b c a18.1735; 8.77666; 5.19316
90; 90; 90
828.32Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312750 CIFFe0.14 Li0.14 Mg0.71 O3 SiP b c a18.1654; 8.773; 5.1958
90; 90; 90
828.03Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312751 CIFFe0.16 Li0.16 Mg0.69 O3 SiP b c a18.1718; 8.7706; 5.1992
90; 90; 90
828.64Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312752 CIFFe0.08 Li0.08 Mg0.84 O3 SiP b c n9.2232; 8.704; 5.3107
90; 90; 90
426.336Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312753 CIFFe0.08 Li0.08 Mg0.84 O3 SiP b c n9.2255; 8.7052; 5.3106
90; 90; 90
426.493Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando
Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81
2312765 CIF
Paper
C12 H8 Cl5 N OP -17.3317; 8.9118; 11.8169
69.929; 84.854; 76.227
704.33Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312766 CIF
Paper
C18 H16 N2 O8C 1 2/c 123.9983; 6.7578; 11.4431
90; 116.034; 90
1667.5Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312767 CIF
Paper
C15 H16 N4 O5C 1 2/c 137.809; 5.2412; 16.254
90; 108.433; 90
3055.7Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312768 CIF
Paper
C12 H11 Cl2 N3 O3P -16.3868; 6.9694; 15.2424
92.0313; 93.0261; 103.601
657.73Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312769 CIF
Paper
C20 H30 N8 O4P 21 21 216.9874; 13.8458; 21.4834
90; 90; 90
2078.44Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312770 CIF
Paper
C22 H16 N6 O10P b c n14.9666; 7.0415; 21.835
90; 90; 90
2301.1Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312771 CIF
Paper
C34 H22 N4 O8P -17.0595; 7.2153; 13.9211
91.067; 102.473; 106
663.22Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312772 CIF
Paper
C29 H26 N2 O10C 1 2/c 122.9392; 4.7809; 24.1632
90; 96.542; 90
2632.7Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312773 CIF
Paper
C32 H30 N2 O4C 1 c 121.952; 7.3477; 17
90; 104.61; 90
2653.38Chalupná, Simona; Hušák, Michal; Čejka, Jan; Fňukal, František; Klimeš, Jiří
Computation screening for incorrectly determined cocrystal structures.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 208-216
2312792 CIF
HKL
Paper
C15 H9 F3 N2 OP -18.0695; 8.9083; 19.4438
95.82; 96.025; 110.173
1290.48Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312793 CIF
HKL
C15 H9 F3 N2 OP 1 21/n 14.7186; 9.5567; 28.036
90; 93.525; 90
1261.87Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312794 CIF
HKL
C15 H9 F3 N2 OP 1 21/c 118.77; 19.92; 7.226
90; 90.72; 90
2702Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312795 CIF
HKL
C15 H9 F3 N2 OP -19.5134; 11.4082; 12.2991
91.435; 90.336; 94.786
1329.7Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312796 CIF
HKL
C15 H9 F3 N2 OP 1 21/c 17.746; 19.804; 9.126
90; 108.55; 90
1327.2Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312797 CIF
HKL
C15 H9 F3 N2 OP 1 21/c 14.934; 18.064; 14.446
90; 96.061; 90
1280.3Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312798 CIF
HKL
C15 H9 F3 N2 OP 1 21/n 14.9872; 34.236; 7.7939
90; 106.747; 90
1274.3Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312799 CIF
HKL
C15 H9 F3 N2 OP -111.0877; 13.1614; 14.1078
77.631; 74.266; 79.294
1917.68Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312800 CIF
HKL
C15 H9 F3 N2 OP 1 21/c 111.7628; 12.5764; 8.6239
90; 93.019; 90
1273.99Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312801 CIF
HKL
C15 H9 F3 N2 OP 1 21/n 110.804; 13.3892; 18.8504
90; 104.148; 90
2644.1Mandal, Koushik; Chopra, Deepak
Quantitative crystal structure analysis in trifluoromethyl- and cyano-substituted N-phenylbenzamides.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81, 266-282
2312812 CIFCa Cs4 O19 Si8P 1 21/n 17.167; 12.0884; 12.4019
90; 90.044; 90
1074.47Kahlenberg, Volker
Cs<sub>4</sub>Ca[Si<sub>8</sub>O<sub>19</sub>]: a new mixed tetrahedral-octahedral oxosilicate, its topological features and comparison with other interrupted framework silicates.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2025, 81

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