Crystallography Open Database

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2312381 CIF
HKL
Al F H2 O2P 1 21/c 15.1788; 7.8386; 5.1624
90; 116.276; 90
187.91Zubkova, Natalia V.; Pekov, Igor V.; Ksenofontov, Dmitry A.; Pushcharovsky, Dmitry Yu
Zharchikhite, AlF(OH)<sub>2</sub>: a novel structure type related to α-PbO<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312627 CIFC 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
2312628 CIFC 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
2312629 CIFC 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
2312630 CIFC 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
2312631 CIFC 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
2312632 CIFC 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
2312633 CIFC 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
2312634 CIFC 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
2312635 CIFC 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
2312636 CIFC 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
2312637 CIFC 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
2312638 CIFC 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
2312639 CIFC 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
2312640 CIFC 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
2312641 CIFC 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
2312642 CIFC 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
2312643 CIFC 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
2312644 CIFC 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
2312645 CIFC 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
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
2312646 CIFC 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
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
2312647 CIFC 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
2312648 CIFC 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
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
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
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
2312435 CIF
HKL
B2 K O6 Sr YP 1 21/m 16.5888; 5.3664; 8.5293
90; 105.389; 90
290.77Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.
Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312437 CIF
HKL
B2 K O6 Sr YP 1 21/m 16.594; 5.3718; 8.5241
90; 105.39; 90
291.11Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.
Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312425 CIFCa8 O16 Si4P n m a6.776; 5.496; 9.252
90; 90; 90
344.553Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
2312426 CIFCa8 O16 Si4P n m a6.776; 5.496; 9.252
90; 90; 90
344.553Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
2312427 CIFCa8 O16 Si4P n m a6.765; 5.514; 9.25
90; 90; 90
345.045Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
2312428 CIFCa8 O16 Si4P n m a6.765; 5.514; 9.25
90; 90; 90
345.045Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
Three-dimensional electron diffraction on clinkers: the belite α'<sub>H</sub> incommensurate modulated structure.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80, 105-116
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
2312436 CIF
HKL
B6 K3 O18 Sr3 Y3R -3 m :H5.3798; 5.3798; 17.6988
90; 90; 120
443.62Kuznetsov, Artem B.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Sofich, Dmitry O.; Sagatov, Nursultan; Gavryushkin, Pavel N.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Shevchenko, Vyacheslav S.; Kokh, Alexander E.
Growth, crystal structure and IR luminescence of KSrY<sub>1-x</sub>Er<sub>x</sub>(BO<sub>3</sub>)<sub>2</sub>.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
2312377 CIF
HKL
C10 H8 N2 O2P -17.0199; 7.072; 9.6216
91.482; 98.773; 109.115
444.57Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Konovalova, Irina S.; Dyakonenko, Victoriya V.; Vaksler, Yevhenii O.
Concomitant polymorphs of 2-imino-2H-chromene-3-carboxylic acid amide: experimental and quantum chemical study.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
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
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
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
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
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
2312382 CIF
HKL
C30 H32 Cu N10 O6P -18.3305; 8.8175; 11.501
83.096; 72.285; 66.328
737.02Le Garff, Paul; Maria Losus, Renny; Chaudhary, Simran; Dobrzańska, Liliana
Tailoring the dimensionality of metal complexes via ligand modifications.
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
2312378 CIF
HKL
Paper
C20 H14 O6P 1 21/n 13.82699; 35.3044; 5.73042
90; 90.336; 90
774.22Naifert, Sergei A.; Osipov, Artem A.; Efremov, Andrey N.; Rajakumar, Kanthapazham; Uchaev, Daniil A.; Zherebtsov, Dmitry A.; Belov, Kirill N.
1D and 2D coordination polymers with a new rigid chelating linker: diacetylenedisalicylic acid.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80
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
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
2023307 CIF
HKL
Paper
C4 H20 Br6 N4 ZnP 1 21/m 16.394; 19.838; 6.668
90; 93.18; 90
844.5Czapla, Zbigniew; Krawczyk, Monika K.; Kinzhybalo, Vasyl
Atypical phase transition, twinning and ferroelastic domain structure in bis(ethylenediammonium) tetrabromozincate(II) bromide, [NH3(CH2)2NH3]2[ZnBr4]Br2
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2024, 80
2312623 CIFC6 H28 Co N6 O8.5 V2P -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

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