Crystallography Open Database

Result : There are 24 entries in the selection

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Searching journal of publication like 'Struct. Chem.'

COD ID: 1100139
CIF file Formula: - C27 H37 Au Br4 N12 O9 -
Comments: Esther R. Acuna-Cueva; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros Structural Chemistry 15 (2004) 159-163
Space group: P -1
Cell volume: 1986.6
Cell parameters: 11.3215; 11.908; 16.4596; 71.538; 71.675; 78.681;  

COD ID: 1101098
CIF file Formula: - C65 H85 N15 O35 -
Comments: Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech Struct. Chem. 16 (5) (2005) 541-549
Space group: C 1 2 1
Cell volume: 7859
Cell parameters: 39.54; 8.72; 22.89; 90; 95.26; 90;  

COD ID: 1101099
CIF file Formula: - C13 H16 F N3 O7 -
Comments: Jarmula, Adam; Rypniewski, Wojciech R.; Felczak, Krzysztof; Rode, Wojciech Struct. Chem. 16 (5) (2005) 541-549
Space group: C 1 2 1
Cell volume: 1631
Cell parameters: 21.72; 8.72; 8.61; 90; 90.42; 90;  

COD ID: 1513069
CIF file Formula: - C25 H23 N2 O6 -
Comments: Ivanova, Bojidarka; Spiteller, Michael Organic mandelates as promising materials with non-linear optical application Structural Chemistry 21 (2010) 989
Space group: P -1
Cell volume: 1136.6
Cell parameters: 8.5794; 10.8027; 12.536; 95.011; 94.664; 99.359;  

COD ID: 1513070
CIF file Formula: - C17 H16 N2 O4 -
Comments: Ivanova, Bojidarka; Spiteller, Michael Organic mandelates as promising materials with non-linear optical application Structural Chemistry 21 (2010) 989
Space group: P 1 21/c 1
Cell volume: 1481.9
Cell parameters: 5.332; 25.455; 11.078; 90; 99.73; 90;  

COD ID: 1513071
CIF file Formula: - C14 H14 N2 O4 -
Comments: Ivanova, Bojidarka; Spiteller, Michael Organic mandelates as promising materials with non-linear optical application Structural Chemistry 21 (2010) 989
Space group: P 43
Cell volume: 5523
Cell parameters: 14.323; 14.323; 26.922; 90; 90; 90;  

COD ID: 1513072
CIF file Formula: - C17 H20 N2 O4.5 -
Comments: Ivanova, Bojidarka; Spiteller, Michael Organic mandelates as promising materials with non-linear optical application Structural Chemistry 21 (2010) 989
Space group: C 1 2 1
Cell volume: 1599
Cell parameters: 19.2; 5.508; 17.452; 90; 119.94; 90;  

COD ID: 1533430
CIF file Formula: - C6 H7.04 Fe Gd K N6 O3.52 -
Comments: Goubard, F.; Tabuteau, A. Synthesis, spectroscopic, thermal and structural characterization of complex ferrocyanides K Ln Fe(II) (C N)6 * 3.5(H2 O) (Ln = Gd - Ho) Structural Chemistry 14 (2003) 257-262
Space group: C m c m
Cell volume: 1246.1
Cell parameters: 7.2857; 12.5588; 13.6186; 90; 90; 90;  

COD ID: 1533433
CIF file Formula: - C6 H6.96 Fe K N6 O3.48 Tb -
Comments: Goubard, F.; Tabuteau, A. Synthesis, spectroscopic, thermal and structural characterization of complex ferrocyanides K Ln Fe(II) (C N)6 * 3.5(H2 O) (Ln = Gd - Ho) Structural Chemistry 14 (2003) 257-262
Space group: C m c m
Cell volume: 1237.23
Cell parameters: 7.2714; 12.5153; 13.5954; 90; 90; 90;  

COD ID: 1533436
CIF file Formula: - C6 H6.984 Dy Fe K N6 O3.492 -
Comments: Goubard, F.; Tabuteau, A. Synthesis, spectroscopic, thermal and structural characterization of complex ferrocyanides K Ln Fe(II) (C N)6 * 3.5(H2 O) (Ln = Gd - Ho) Structural Chemistry 14 (2003) 257-262
Space group: C m c m
Cell volume: 1230.01
Cell parameters: 7.2583; 12.5089; 13.5474; 90; 90; 90;  

COD ID: 1533439
CIF file Formula: - C6 H7.08 Fe Ho K N6 O3.54 -
Comments: Goubard, F.; Tabuteau, A. Synthesis, spectroscopic, thermal and structural characterization of complex ferrocyanides K Ln Fe(II) (C N)6 * 3.5(H2 O) (Ln = Gd - Ho) Structural Chemistry 14 (2003) 257-262
Space group: C m c m
Cell volume: 1227.87
Cell parameters: 7.2642; 12.5076; 13.5142; 90; 90; 90;  

COD ID: 1544827
CIF file Formula: - C10 H16 I N O3 -
Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016)
Space group: P 1 c 1
Cell volume: 2547.75
Cell parameters: 19.4439; 7.6801; 19.4527; 90; 118.711; 90;  

COD ID: 1544828
CIF file Formula: - C10 H16 I N O3 -
Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016)
Space group: P 1 c 1
Cell volume: 2555.3
Cell parameters: 19.459; 7.6795; 19.492; 90; 118.687; 90;  

COD ID: 1544829
CIF file Formula: - C10 H16 I N O3 -
Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016)
Space group: P 1 c 1
Cell volume: 2567.23
Cell parameters: 19.4906; 7.6827; 19.5367; 90; 118.651; 90;  

COD ID: 1544830
CIF file Formula: - C10 H16 I N O3 -
Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016)
Space group: P 1 c 1
Cell volume: 2583.4
Cell parameters: 19.513; 7.6986; 19.589; 90; 118.61; 90;  

COD ID: 1544831
CIF file Formula: - C10 H16 I N O3 -
Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016)
Space group: P 1 c 1
Cell volume: 2587.4
Cell parameters: 19.52; 7.7018; 19.601; 90; 118.593; 90;  

COD ID: 1544832
CIF file Formula: - C10 H16 I N O3 -
Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016)
Space group: P 1 c 1
Cell volume: 2591.8
Cell parameters: 19.527; 7.7049; 19.617; 90; 118.58; 90;  

COD ID: 1544833
CIF file Formula: - C10 H16 I N O3 -
Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016)
Space group: P 1 c 1
Cell volume: 2595.6
Cell parameters: 19.53; 7.7094; 19.629; 90; 118.57; 90;  

COD ID: 1544834
CIF file Formula: - C10 H16 I N O3 -
Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016)
Space group: P 1 c 1
Cell volume: 2598.9
Cell parameters: 19.533; 7.7136; 19.638; 90; 118.556; 90;  

COD ID: 1544835
CIF file Formula: - C10 H16 I N O3 -
Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016)
Space group: P 1 c 1
Cell volume: 2603.4
Cell parameters: 19.539; 7.718; 19.652; 90; 118.54; 90;  

COD ID: 1544836
CIF file Formula: - C10 H16 I N O3 -
Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016)
Space group: P 1 c 1
Cell volume: 2608.1
Cell parameters: 19.544; 7.7236; 19.666; 90; 118.528; 90;  

COD ID: 1544837
CIF file Formula: - C10 H16 I N O3 -
Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016)
Space group: P 1 c 1
Cell volume: 2616.6
Cell parameters: 19.557; 7.7351; 19.684; 90; 118.51; 90;  

COD ID: 1544838
CIF file Formula: - C10 H16 I N O3 -
Comments: Roszak, Kinga; Katrusiak, Andrzej; Dega-Szafran, Zofia; Komasa, Anna; Kowalczyk, Iwona; Szafran, Mirosław Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Structural Chemistry (2016)
Space group: P 1 c 1
Cell volume: 2618
Cell parameters: 19.559; 7.7357; 19.689; 90; 118.499; 90;  

COD ID: 5000155
CIF file Formula: - C6 H5 N O2 -
Comments: Boese, Roland; Bläser, Dieter; Nussbaumer, Michael; Krygowski, Tadeusz Marek Low temperature crystal and molecular structure of nitrobenzene Structural Chemistry 3(5) (1992) 363-368
Space group: P 1 21/c 1
Cell volume: 571.15
Cell parameters: 3.8014; 11.6153; 12.9843; 90; 94.984; 90;  


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All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.