Search results

Formula: - C40 H26 F10 N6 O6 S2 Zn -
Comments: Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 69(1) (2013) 43
Space group: P -1
Cell volume: 4162.14
Cell parameters: 10.0901; 20.3099; 22.312; 65.5992; 88.3686; 89.7419;

COD ID: 2021875

Formula: - C40 H26 Cl4 F6 N6 O6 S2 Zn -
Comments: Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 69(1) (2013) 43
Space group: P -1
Cell volume: 2262.7
Cell parameters: 10.2008; 10.279; 21.6355; 93.942; 91.113; 90.349;

COD ID: 2021876

Formula: - C40 H26 Br4 F6 N6 O6 S2 Zn -
Comments: Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 69(1) (2013) 43
Space group: P -1
Cell volume: 2359.1
Cell parameters: 10.2631; 10.4481; 22.1315; 83.959; 88.508; 89.483;

COD ID: 2021877

Formula: - C40 H26 F6 I4 N6 O6 S2 Zn -
Comments: Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 69(1) (2013) 43
Space group: P -1
Cell volume: 2552.9
Cell parameters: 13.3328; 14.3957; 14.6008; 95.972; 110.04; 99.907;

COD ID: 2021878

Formula: - C10 H13 Cl N2 O3 S -
Comments: Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 69(1) (2013) 77
Space group: P 21 21 21
Cell volume: 1138.3
Cell parameters: 26.573; 4.8587; 8.8165; 90; 90; 90;

COD ID: 2021879

Formula: - C10 H13 Cl N2 O3 S -
Comments: Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 69(1) (2013) 77
Space group: P 21 21 21
Cell volume: 1083.25
Cell parameters: 26.5733; 4.7178; 8.6406; 90; 90; 90;

COD ID: 2021880

Formula: - C10 H13 Cl N2 O3 S -
Comments: Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 69(1) (2013) 77
Space group: P 21 21 21
Cell volume: 1064.65
Cell parameters: 26.605; 4.6688; 8.5711; 90; 90; 90;

COD ID: 2021881

Formula: - C10 H13 Cl N2 O3 S -
Comments: Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 69(1) (2013) 77
Space group: P 21 21 21
Cell volume: 1060.24
Cell parameters: 26.6068; 4.6576; 8.5556; 90; 90; 90;

COD ID: 2021882

Formula: - C10 H13 Cl N2 O3 S -
Comments: Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 69(1) (2013) 77
Space group: P 21 1 1
Cell volume: 1037.01
Cell parameters: 25.602; 4.634; 8.8525; 99.109; 90; 90;

COD ID: 2021883

Formula: - C10 H13 Cl N2 O3 S -
Comments: Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 69(1) (2013) 77
Space group: P 21 1 1
Cell volume: 1023
Cell parameters: 25.522; 4.6023; 8.8298; 99.477; 90; 90;

COD ID: 2105309

Formula: - C13 H19 F6 O2 P Pd -
Comments: Hill, Tania N.; Roodt, Andreas; Steyl, Gideon Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters Acta Crystallographica Section B 69(1) (2013) 36-42
Space group: P 1 21/c 1
Cell volume: 1589.49
Cell parameters: 9.3166; 15.4676; 12.6132; 90; 119.016; 90;

COD ID: 2105310

Formula: - C13 H19 B F4 O2 Pd -
Comments: Hill, Tania N.; Roodt, Andreas; Steyl, Gideon Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters Acta Crystallographica Section B 69(1) (2013) 36-42
Space group: P c a 21
Cell volume: 1465.9
Cell parameters: 26.2908; 7.1684; 7.7782; 90; 90; 90;

COD ID: 2105311

Formula: - C16 H16 F9 O2 P Pd S -
Comments: Hill, Tania N.; Roodt, Andreas; Steyl, Gideon Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters Acta Crystallographica Section B 69(1) (2013) 36-42
Space group: P 1 21/c 1
Cell volume: 1910.15
Cell parameters: 9.9691; 17.0294; 13.6427; 90; 124.439; 90;

COD ID: 2105312

Formula: - C16 H16 B F7 O2 Pd S -
Comments: Hill, Tania N.; Roodt, Andreas; Steyl, Gideon Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters Acta Crystallographica Section B 69(1) (2013) 36-42
Space group: P 1 21/c 1
Cell volume: 1787.35
Cell parameters: 10.0528; 16.6333; 13.16; 90; 125.684; 90;

COD ID: 2105313

Formula: - C13 H13 F12 O2 P Pd -
Comments: Hill, Tania N.; Roodt, Andreas; Steyl, Gideon Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters Acta Crystallographica Section B 69(1) (2013) 36-42
Space group: P 1 21/c 1
Cell volume: 1768.91
Cell parameters: 8.5885; 10.6304; 19.4093; 90; 93.415; 90;

COD ID: 2105314

Formula: - C40 H26 F10 N6 O6 S2 Zn -
Comments: Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes Acta Crystallographica Section B 69(1) (2013) 43-54
Space group: P -1
Cell volume: 4162.14
Cell parameters: 10.0901; 20.3099; 22.312; 65.5992; 88.3686; 89.7419;

COD ID: 2105315

Formula: - C40 H26 Cl4 F6 N6 O6 S2 Zn -
Comments: Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes Acta Crystallographica Section B 69(1) (2013) 43-54
Space group: P -1
Cell volume: 2262.7
Cell parameters: 10.2008; 10.279; 21.6355; 93.942; 91.113; 90.349;

COD ID: 2105316

Formula: - C40 H26 Br4 F6 N6 O6 S2 Zn -
Comments: Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes Acta Crystallographica Section B 69(1) (2013) 43-54
Space group: P -1
Cell volume: 2359.1
Cell parameters: 10.2631; 10.4481; 22.1315; 83.959; 88.508; 89.483;

COD ID: 2105317

Formula: - C40 H26 F6 I4 N6 O6 S2 Zn -
Comments: Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes Acta Crystallographica Section B 69(1) (2013) 43-54
Space group: P -1
Cell volume: 2552.9
Cell parameters: 13.3328; 14.3957; 14.6008; 95.972; 110.04; 99.907;

COD ID: 2105318
CIF file Original IUCr paper	Formula: - C60 H40 N8 O16 - Comments: Mocilac, Pavle; Gallagher, John F. Entry point into new trimeric and tetrameric imide-based macrocyclic esters derived from isophthaloyl dichloride and methyl 6-aminonicotinate Acta Crystallographica Section B 69(1) (2013) 62-69 Space group: P 1 21/n 1 Cell volume: 5335.31 Cell parameters: 10.687; 22.4852; 22.6756; 90; 101.721; 90;

COD ID: 2105319
CIF file Original IUCr paper	Formula: - C45 H30 N6 O12 - Comments: Mocilac, Pavle; Gallagher, John F. Entry point into new trimeric and tetrameric imide-based macrocyclic esters derived from isophthaloyl dichloride and methyl 6-aminonicotinate Acta Crystallographica Section B 69(1) (2013) 62-69 Space group: P -1 Cell volume: 4697.4 Cell parameters: 16.3411; 16.5747; 17.4806; 87.273; 83.35; 89.825;

COD ID: 2105320
CIF file Original IUCr paper	Formula: - C10 H13 Cl N2 O3 S - Comments: Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B 69(1) (2013) 77-85 Space group: P 21 21 21 Cell volume: 1138.3 Cell parameters: 26.573; 4.8587; 8.8165; 90; 90; 90;

COD ID: 2105321

Formula: - C10 H13 Cl N2 O3 S -
Comments: Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B 69(1) (2013) 77-85
Space group: P 21 21 21
Cell volume: 1083.25
Cell parameters: 26.5733; 4.7178; 8.6406; 90; 90; 90;

COD ID: 2105322
CIF file Original IUCr paper	Formula: - C10 H13 Cl N2 O3 S - Comments: Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B 69(1) (2013) 77-85 Space group: P 21 21 21 Cell volume: 1064.65 Cell parameters: 26.605; 4.6688; 8.5711; 90; 90; 90;

COD ID: 2105323

Formula: - C10 H13 Cl N2 O3 S -
Comments: Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B 69(1) (2013) 77-85
Space group: P 21 21 21
Cell volume: 1060.24
Cell parameters: 26.6068; 4.6576; 8.5556; 90; 90; 90;

COD ID: 2105324

Formula: - C10 H13 Cl N2 O3 S -
Comments: Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B 69(1) (2013) 77-85
Space group: P 21 1 1
Cell volume: 1037.01
Cell parameters: 25.602; 4.634; 8.8525; 99.109; 90; 90;

COD ID: 2105325
CIF file Original IUCr paper	Formula: - C10 H13 Cl N2 O3 S - Comments: Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V. A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution Acta Crystallographica Section B 69(1) (2013) 77-85 Space group: P 21 1 1 Cell volume: 1023 Cell parameters: 25.522; 4.6023; 8.8298; 99.477; 90; 90;

COD ID: 2105326

Formula: - C28 H30 N2 O6 P2 -
Comments: Gholivand, Khodayar; Valmoozi, Ali A. Ebrahimi; Mahzouni, Hamid R. Structural and electronic aspects of hydrogen bonding in two polymorphs of butylene-N,N'-bis(O,O'-diarylphosphoramidate) Acta Crystallographica Section B 69(1) (2013) 55-61
Space group: P 1 21/c 1
Cell volume: 1320.8
Cell parameters: 15.7039; 5.3299; 16.932; 90; 111.26; 90;

COD ID: 2105327

Formula: - C28 H30 N2 O6 P2 -
Comments: Gholivand, Khodayar; Valmoozi, Ali A. Ebrahimi; Mahzouni, Hamid R. Structural and electronic aspects of hydrogen bonding in two polymorphs of butylene-N,N'-bis(O,O'-diarylphosphoramidate) Acta Crystallographica Section B 69(1) (2013) 55-61
Space group: P 1 21/n 1
Cell volume: 1314.7
Cell parameters: 9.6437; 14.3801; 10.3503; 90; 113.659; 90;

COD ID: 2105328
CIF file Original IUCr paper	Formula: - C3 H8 N2 O - Comments: Näther, Christian; Döring, Cindy; Jess, Inke; Jones, Peter G.; Taouss, Christina Thermodynamic and structural relationships between the two polymorphs of 1,3-dimethylurea Acta Crystallographica Section B 69(1) (2013) 70-76 Space group: F d d 2 Cell volume: 1019.13 Cell parameters: 11.3837; 19.6293; 4.56079; 90; 90; 90;

COD ID: 2105329

Formula: - C3 H8 N2 O -
Comments: Näther, Christian; Döring, Cindy; Jess, Inke; Jones, Peter G.; Taouss, Christina Thermodynamic and structural relationships between the two polymorphs of 1,3-dimethylurea Acta Crystallographica Section B 69(1) (2013) 70-76
Space group: P 21 21 2
Cell volume: 243.87
Cell parameters: 10.8522; 4.9102; 4.5766; 90; 90; 90;

COD ID: 2105439

Formula: - C7 H13 F3 N3 O2 P -
Comments: Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database Acta Crystallographica Section B 69(2) (2013) 184-194
Space group: P 1 21/a 1
Cell volume: 1143.26
Cell parameters: 11.3416; 9.0552; 11.803; 90; 109.413; 90;

COD ID: 2105440

Formula: - C21 H32 Cl2 N3 O2 P -
Comments: Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database Acta Crystallographica Section B 69(2) (2013) 184-194
Space group: P 1 21/n 1
Cell volume: 2424.93
Cell parameters: 10.1526; 12.902; 18.5334; 90; 92.724; 90;

COD ID: 2105441

Formula: - C23 H24 Cl2 N3 O2 P -
Comments: Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database Acta Crystallographica Section B 69(2) (2013) 184-194
Space group: P 1 21/c 1
Cell volume: 2336.63
Cell parameters: 10.0375; 23.0525; 10.17; 90; 96.809; 90;

COD ID: 2105442

Formula: - C15 H24 Cl2 N3 O2 P -
Comments: Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database Acta Crystallographica Section B 69(2) (2013) 184-194
Space group: P -1
Cell volume: 966.85
Cell parameters: 9.7455; 10.0122; 11.7163; 66.278; 67.729; 84.121;

COD ID: 2105443

Formula: - C80.75 H175.5 O82.25 -
Comments: Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B 69(2) (2013) 214-227
Space group: C 1 2 1
Cell volume: 12154
Cell parameters: 28.7452; 27.0276; 15.7252; 90; 95.827; 90;

COD ID: 2105444

Formula: - C79.46 H120.12 O73.55 -
Comments: Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B 69(2) (2013) 214-227
Space group: C 1 2 1
Cell volume: 12306
Cell parameters: 28.725; 27.195; 15.838; 90; 95.92; 90;

COD ID: 2105445

Formula: - C78.5 H86.4 O73.2 -
Comments: Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K Acta Crystallographica Section B 69(2) (2013) 214-227
Space group: C 1 2 1
Cell volume: 12307
Cell parameters: 28.712; 27.267; 15.79; 90; 95.4; 90;

COD ID: 2105446

Formula: - C4 H10 O -
Comments: Derollez, Patrick; Hédoux, Alain; Guinet, Yannick; Danède, Florence; Paccou, Laurent Structure determination of the crystalline phase of n-butanol by powder X-ray diffraction and study of intermolecular associations by Raman spectroscopy Acta Crystallographica Section B 69(2) (2013) 195-202
Space group: P 1
Cell volume: 239.586
Cell parameters: 5.10141; 5.53079; 9.0323; 79.0266; 75.7579; 78.8261;

COD ID: 2105447

Formula: - C5 H11 N O7 -
Comments: Zakharov, Boris A.; Boldyreva, Elena V. A high-pressure single-crystal to single-crystal phase transition in DL-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds Acta Crystallographica Section B 69(3) (2013) 271-280
Space group: P 1 21/c 1
Cell volume: 840
Cell parameters: 12.456; 6.4891; 11.338; 90; 113.57; 90;

COD ID: 2105448

Formula: - C5 H11 N O7 -
Comments: Zakharov, Boris A.; Boldyreva, Elena V. A high-pressure single-crystal to single-crystal phase transition in DL-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds Acta Crystallographica Section B 69(3) (2013) 271-280
Space group: P 1 21/c 1
Cell volume: 830.1
Cell parameters: 12.451; 6.4259; 11.317; 90; 113.54; 90;

COD ID: 2105449

Formula: - C5 H11 N O7 -
Comments: Zakharov, Boris A.; Boldyreva, Elena V. A high-pressure single-crystal to single-crystal phase transition in DL-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds Acta Crystallographica Section B 69(3) (2013) 271-280
Space group: P 1 21/c 1
Cell volume: 805.9
Cell parameters: 12.421; 6.2751; 11.273; 90; 113.48; 90;

COD ID: 2105450

Formula: - C5 H11 N O7 -
Comments: Zakharov, Boris A.; Boldyreva, Elena V. A high-pressure single-crystal to single-crystal phase transition in DL-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds Acta Crystallographica Section B 69(3) (2013) 271-280
Space group: P 1 21/c 1
Cell volume: 791.3
Cell parameters: 12.406; 6.1807; 11.236; 90; 113.29; 90;

COD ID: 2105451

Formula: - C5 H11 N O7 -
Comments: Zakharov, Boris A.; Boldyreva, Elena V. A high-pressure single-crystal to single-crystal phase transition in DL-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds Acta Crystallographica Section B 69(3) (2013) 271-280
Space group: P 1 21/c 1
Cell volume: 746
Cell parameters: 12.142; 6.1377; 11.231; 90; 116.97; 90;

COD ID: 2105452

Formula: - C5 H11 N O7 -
Comments: Zakharov, Boris A.; Boldyreva, Elena V. A high-pressure single-crystal to single-crystal phase transition in DL-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds Acta Crystallographica Section B 69(3) (2013) 271-280
Space group: P 1 21/c 1
Cell volume: 725.2
Cell parameters: 12.037; 6.0534; 11.211; 90; 117.41; 90;

COD ID: 2105453

Formula: - C5 H11 N O7 -
Comments: Zakharov, Boris A.; Boldyreva, Elena V. A high-pressure single-crystal to single-crystal phase transition in DL-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds Acta Crystallographica Section B 69(3) (2013) 271-280
Space group: P 1 21/c 1
Cell volume: 713.5
Cell parameters: 11.976; 6.0032; 11.199; 90; 117.61; 90;

COD ID: 2105454

Formula: - C5 H11 N O7 -
Comments: Zakharov, Boris A.; Boldyreva, Elena V. A high-pressure single-crystal to single-crystal phase transition in DL-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds Acta Crystallographica Section B 69(3) (2013) 271-280
Space group: P 1 21/c 1
Cell volume: 700.8
Cell parameters: 11.905; 5.9492; 11.185; 90; 117.79; 90;

COD ID: 2105455

Formula: - C5 H11 N O7 -
Comments: Zakharov, Boris A.; Boldyreva, Elena V. A high-pressure single-crystal to single-crystal phase transition in DL-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds Acta Crystallographica Section B 69(3) (2013) 271-280
Space group: P 1 21/c 1
Cell volume: 683.9
Cell parameters: 11.807; 5.8748; 11.164; 90; 117.98; 90;

COD ID: 2105456

Formula: - C16 H10 Br N O3 -
Comments: Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda Structural characterization of some N-phenyl-4-oxo-4H-2-chromone carboxamides Acta Crystallographica Section B 69(3) (2013) 294-309
Space group: P 1 21/n 1
Cell volume: 1324.3
Cell parameters: 5.466; 17.381; 13.948; 90; 92.079; 90;

COD ID: 2105457

Formula: - C16 H10 Br N O3 -
Comments: Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda Structural characterization of some N-phenyl-4-oxo-4H-2-chromone carboxamides Acta Crystallographica Section B 69(3) (2013) 294-309
Space group: P c a 21
Cell volume: 1342.7
Cell parameters: 23.047; 4.8246; 12.075; 90; 90; 90;

COD ID: 2105458

Formula: - C16 H10 Br N O3 -
Comments: Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda Structural characterization of some N-phenyl-4-oxo-4H-2-chromone carboxamides Acta Crystallographica Section B 69(3) (2013) 294-309
Space group: P -1
Cell volume: 648.7
Cell parameters: 5.722; 7.968; 14.558; 96.004; 99.996; 92.558;

COD ID: 2105459

Formula: - C16 H10 N2 O5 -
Comments: Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda Structural characterization of some N-phenyl-4-oxo-4H-2-chromone carboxamides Acta Crystallographica Section B 69(3) (2013) 294-309
Space group: P 1 21/c 1
Cell volume: 1312
Cell parameters: 12.3425; 5.885; 18.316; 90; 99.543; 90;

COD ID: 2105460

Formula: - C17 H13 N O4 -
Comments: Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda Structural characterization of some N-phenyl-4-oxo-4H-2-chromone carboxamides Acta Crystallographica Section B 69(3) (2013) 294-309
Space group: P 21 21 21
Cell volume: 1400.6
Cell parameters: 4.7199; 15.345; 19.338; 90; 90; 90;

COD ID: 2105461

Formula: - C17 H13 N O4 -
Comments: Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda Structural characterization of some N-phenyl-4-oxo-4H-2-chromone carboxamides Acta Crystallographica Section B 69(3) (2013) 294-309
Space group: P n a 21
Cell volume: 1281
Cell parameters: 12.82; 26.29; 3.802; 90; 90; 90;

COD ID: 2105462

Formula: - C18 H15 N O3 -
Comments: Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda Structural characterization of some N-phenyl-4-oxo-4H-2-chromone carboxamides Acta Crystallographica Section B 69(3) (2013) 294-309
Space group: P b c a
Cell volume: 2888
Cell parameters: 21.094; 16.297; 8.402; 90; 90; 90;

COD ID: 2105463

Formula: - C18 H15 N O4 -
Comments: Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda Structural characterization of some N-phenyl-4-oxo-4H-2-chromone carboxamides Acta Crystallographica Section B 69(3) (2013) 294-309
Space group: P 1 21/c 1
Cell volume: 1444
Cell parameters: 14.327; 8.468; 12.708; 90; 110.514; 90;

COD ID: 2105464

Formula: - C17 H13 N O3 -
Comments: Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda Structural characterization of some N-phenyl-4-oxo-4H-2-chromone carboxamides Acta Crystallographica Section B 69(3) (2013) 294-309
Space group: P -1
Cell volume: 663.61
Cell parameters: 7.4724; 9.3647; 10.5398; 88.283; 71.173; 72.42;

COD ID: 2105465
CIF file Original IUCr paper	Formula: - C5 H12 N2 - Comments: Reibenspies, Joseph; Bhuvanesh, Nattamai Absolute structure of <i>R</i>-({-})-2-methylpiperazine and <i>S</i>-(+)-2-methylpiperazine Acta Crystallographica Section B 69(3) (2013) 288-293 Space group: P 1 21 1 Cell volume: 306.79 Cell parameters: 5.213; 8.471; 7.2048; 90; 105.362; 90;

COD ID: 2105466

Formula: - C5 H12 N2 -
Comments: Reibenspies, Joseph; Bhuvanesh, Nattamai Absolute structure of R-({-})-2-methylpiperazine and S-(+)-2-methylpiperazine Acta Crystallographica Section B 69(3) (2013) 288-293
Space group: P 1 21 1
Cell volume: 306.99
Cell parameters: 5.209; 8.4798; 7.2037; 90; 105.254; 90;

COD ID: 2105467

Formula: - C5 H14.71 Br2 N2 O0.36 -
Comments: Reibenspies, Joseph; Bhuvanesh, Nattamai Absolute structure of R-({-})-2-methylpiperazine and S-(+)-2-methylpiperazine Acta Crystallographica Section B 69(3) (2013) 288-293
Space group: P 1 21 1
Cell volume: 476.87
Cell parameters: 6.0418; 11.5649; 7.1333; 90; 106.911; 90;

COD ID: 2105468

Formula: - C5 H14.5 Br2 N2 O0.25 -
Comments: Reibenspies, Joseph; Bhuvanesh, Nattamai Absolute structure of R-({-})-2-methylpiperazine and S-(+)-2-methylpiperazine Acta Crystallographica Section B 69(3) (2013) 288-293
Space group: P 1 21 1
Cell volume: 475.35
Cell parameters: 6.0262; 11.555; 7.1392; 90; 107.018; 90;

COD ID: 2105469

Formula: - Al220.86 Cu13.7 Ta150 -
Comments: Dshemuchadse, Julia; Bigler, Sandro; Simonov, Arkadiy; Weber, Thomas; Steurer, Walter A new complex intermetallic phase in the system Al‒Cu‒Ta with familiar clusters and packing principles Acta Crystallographica Section B 69(3) (2013) 238-248
Space group: P 63/m m c
Cell volume: 6169.9
Cell parameters: 13.512; 13.512; 39.022; 90; 90; 120;

COD ID: 2105470

Formula: - C15 H24 F2 N3 O2 P -
Comments: Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa Hirshfeld surface analysis of new phosphoramidates Acta Crystallographica Section B 69(3) (2013) 260-270
Space group: P -1
Cell volume: 1745.1
Cell parameters: 9.8932; 10.5022; 19.228; 79.853; 81.589; 62.86;

COD ID: 2105471

Formula: - C13 H20 F2 N3 O3 P -
Comments: Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa Hirshfeld surface analysis of new phosphoramidates Acta Crystallographica Section B 69(3) (2013) 260-270
Space group: P 21 21 21
Cell volume: 1611.55
Cell parameters: 8.7127; 10.9675; 16.8649; 90; 90; 90;

COD ID: 2105472

Formula: - C16 H18 N O4 P -
Comments: Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa Hirshfeld surface analysis of new phosphoramidates Acta Crystallographica Section B 69(3) (2013) 260-270
Space group: P 1 21 1
Cell volume: 798.55
Cell parameters: 6.4231; 9.1119; 13.6799; 90; 94.137; 90;

COD ID: 2105473

Formula: - C18 H15 Br N O3 P -
Comments: Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa Hirshfeld surface analysis of new phosphoramidates Acta Crystallographica Section B 69(3) (2013) 260-270
Space group: P -1
Cell volume: 904.95
Cell parameters: 10.1842; 10.2741; 10.7121; 108.304; 94.3109; 118.084;

COD ID: 2105474

Formula: - C32 H40 N4 O3 P2 -
Comments: Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa Hirshfeld surface analysis of new phosphoramidates Acta Crystallographica Section B 69(3) (2013) 260-270
Space group: C 1 2/c 1
Cell volume: 3033.6
Cell parameters: 19.05; 8.5308; 18.821; 90; 97.341; 90;

COD ID: 2105475

Formula: - C28 H32 N4 O3 P2 -
Comments: Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa Hirshfeld surface analysis of new phosphoramidates Acta Crystallographica Section B 69(3) (2013) 260-270
Space group: P c c n
Cell volume: 2703.3
Cell parameters: 13.4363; 20.3532; 9.8851; 90; 90; 90;

COD ID: 2105476

Formula: - I3 Nb10 Se40 -
Comments: Zubko, Maciej; Kusz, Joachim; Prodan, Albert; Šturm, Sašo; van Midden, Herman J. P.; Bennett, J. Craig; Dubin, Grzegorz; Zupanič, Erik; Böhm, Horst Structural phase transition and related electronic properties in quasi-one-dimensional (NbSe~4~)~10/3~I Acta Crystallographica Section B 69(3) (2013) 229-237
Space group: P 4/m c c
Cell volume: 2858
Cell parameters: 9.4644; 9.4644; 31.9063; 90; 90; 90;

COD ID: 2105477

Formula: - I3 Nb10 Se40 -
Comments: Zubko, Maciej; Kusz, Joachim; Prodan, Albert; Šturm, Sašo; van Midden, Herman J. P.; Bennett, J. Craig; Dubin, Grzegorz; Zupanič, Erik; Böhm, Horst Structural phase transition and related electronic properties in quasi-one-dimensional (NbSe~4~)~10/3~I Acta Crystallographica Section B 69(3) (2013) 229-237
Space group: P 1 2/c 1
Cell volume: 2834.3
Cell parameters: 9.4415; 9.4235; 31.883; 90; 92.352; 90;

COD ID: 2105479

Formula: - C2 H6 N2 S -
Comments: Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns Acta Crystallographica Section B 69(4) (2013) 405-413
Space group: P -1
Cell volume: 442.71
Cell parameters: 7.6615; 7.6945; 8.0283; 78.182; 73.785; 81.448;

COD ID: 2105480

Formula: - C3 H8 N2 S -
Comments: Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns Acta Crystallographica Section B 69(4) (2013) 405-413
Space group: P b c a
Cell volume: 1045.42
Cell parameters: 6.15884; 11.5953; 14.639; 90; 90; 90;

COD ID: 2105481

Formula: - C6 H15 N3 O S -
Comments: Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns Acta Crystallographica Section B 69(4) (2013) 405-413
Space group: P 1 21/n 1
Cell volume: 924.57
Cell parameters: 6.56953; 8.7346; 16.2322; 90; 96.964; 90;

COD ID: 2105482

Formula: - C5 H12 N2 O S -
Comments: Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns Acta Crystallographica Section B 69(4) (2013) 405-413
Space group: P 1 21/c 1
Cell volume: 760.27
Cell parameters: 6.4979; 7.0116; 16.7097; 90; 92.982; 90;

COD ID: 2105483

Formula: - C5 H12 N2 O S -
Comments: Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns Acta Crystallographica Section B 69(4) (2013) 405-413
Space group: P -1
Cell volume: 386
Cell parameters: 6.847; 7.0982; 8.6412; 106.676; 105.448; 90.679;

COD ID: 2105484

Formula: - C5 H12 N2 S -
Comments: Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns Acta Crystallographica Section B 69(4) (2013) 405-413
Space group: C 1 2/c 1
Cell volume: 715.1
Cell parameters: 5.4621; 12.0353; 10.9309; 90; 95.641; 90;

COD ID: 2105485
CIF file Original IUCr paper	Formula: - H13 N3 O8 S2 - Comments: Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions Acta Crystallographica Section B 69(4) (2013) 336-343 Space group: P -1 Cell volume: 893.6 Cell parameters: 8.282; 10.095; 11.613; 90.44; 110.07; 100.64;

COD ID: 2105486

Formula: - H13 N3 O8 S2 -
Comments: Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions Acta Crystallographica Section B 69(4) (2013) 336-343
Space group: P 1 2/n 1
Cell volume: 897.7
Cell parameters: 15.473; 5.849; 10.131; 90; 101.75; 90;

COD ID: 2105487

Formula: - H13 N3 O8 S2 -
Comments: Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions Acta Crystallographica Section B 69(4) (2013) 336-343
Space group: P 1 2/n 1
Cell volume: 894.5
Cell parameters: 15.534; 5.825; 10.089; 90; 101.52; 90;

COD ID: 2105488
CIF file Original IUCr paper	Formula: - H13 N3 O8 S2 - Comments: Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions Acta Crystallographica Section B 69(4) (2013) 336-343 Space group: P 1 2/n 1 Cell volume: 1787.8 Cell parameters: 15.538; 11.641; 10.085; 90; 101.46; 90;

COD ID: 2105489
CIF file Original IUCr paper	Formula: - H12 Li4 O12 P2 - Comments: Kinzhybalo, Vasyl; Mermer, Adrian; Lis, Tadeusz; Starynowicz, Przemysław Electron density distribution in tetralithium hypodiphosphate hexahydrate, Li~4~P~2~O~6~·6H~2~O Acta Crystallographica Section B 69(4) (2013) 344-355 Space group: I a -3 Cell volume: 2048.4 Cell parameters: 12.7; 12.7; 12.7; 90; 90; 90;

COD ID: 2105490

Formula: - C22 H24 Cl N5 O2 -
Comments: Bruni, Giovanna; Maietta, Mariarosa; Scotti, Federico; Maggi, Lauretta; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Berbenni, Vittorio; Milanese, Chiara; Girella, Alessandro; Marini, Amedeo Structure and properties of domperidone and its succinate salt Acta Crystallographica Section B 69(4) (2013) 362-370
Space group: P 1 21/c 1
Cell volume: 2058.7
Cell parameters: 20.214; 6.8155; 15.863; 90; 109.604; 90;

COD ID: 2105491

Formula: - C26 H30 Cl N5 O6 -
Comments: Bruni, Giovanna; Maietta, Mariarosa; Scotti, Federico; Maggi, Lauretta; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Berbenni, Vittorio; Milanese, Chiara; Girella, Alessandro; Marini, Amedeo Structure and properties of domperidone and its succinate salt Acta Crystallographica Section B 69(4) (2013) 362-370
Space group: P -1
Cell volume: 1311.4
Cell parameters: 6.3869; 8.9838; 23.094; 89.89; 82.52; 86.52;

COD ID: 2105492

Formula: - C8 H14 N2 O2 -
Comments: Herman, Christelle; Vermylen, Valérie; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom The importance of screening solid-state phases of a racemic modification of a chiral drug: thermodynamic and structural characterization of solid-state phases of etiracetam Acta Crystallographica Section B 69(4) (2013) 371-378
Space group: P 1 21/c 1
Cell volume: 872.22
Cell parameters: 9.5932; 7.8325; 11.9547; 90; 103.83; 90;

COD ID: 2105493

Formula: - C8 H14 N2 O2 -
Comments: Herman, Christelle; Vermylen, Valérie; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom The importance of screening solid-state phases of a racemic modification of a chiral drug: thermodynamic and structural characterization of solid-state phases of etiracetam Acta Crystallographica Section B 69(4) (2013) 371-378
Space group: P 1 21/c 1
Cell volume: 897.27
Cell parameters: 9.302; 11.5223; 8.4172; 90; 95.966; 90;

COD ID: 2105494

Formula: - C8 H16 N2 O3 -
Comments: Herman, Christelle; Vermylen, Valérie; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom The importance of screening solid-state phases of a racemic modification of a chiral drug: thermodynamic and structural characterization of solid-state phases of etiracetam Acta Crystallographica Section B 69(4) (2013) 371-378
Space group: P -1
Cell volume: 499.3
Cell parameters: 7.2006; 7.9639; 9.5468; 85.293; 76.031; 70.023;

COD ID: 2105496
CIF file Original IUCr paper	Formula: - C6 H8 Fe O8 - Comments: Birsa Čelič, Tadeja; Jagličič, Zvonko; Lazar, Karoly; Zabukovec Logar, Nataša Structure and magnetic properties of a new iron(II) citrate coordination polymer Acta Crystallographica Section B 69(5) (2013) 490-495 Space group: P 21 21 21 Cell volume: 839.91 Cell parameters: 5.947; 10.4021; 13.5773; 90; 90; 90;

COD ID: 2105497
CIF file Original IUCr paper	Formula: - C16 H32 Cr N8 O12 Rh4 - Comments: Ebihara, Masahiro; Fuma, Yasuhiro Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions Acta Crystallographica Section B 69(5) (2013) 480-489 Space group: I 41/a :2 Cell volume: 2650.2 Cell parameters: 9.4384; 9.4384; 29.75; 90; 90; 90;

COD ID: 2105498
CIF file Original IUCr paper	Formula: - C16 H32 Mo N8 O12 Rh4 - Comments: Ebihara, Masahiro; Fuma, Yasuhiro Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions Acta Crystallographica Section B 69(5) (2013) 480-489 Space group: I 41/a :2 Cell volume: 2714.8 Cell parameters: 9.5725; 9.5725; 29.627; 90; 90; 90;

COD ID: 2105499
CIF file Original IUCr paper	Formula: - C16 H32 N8 O12 Rh4 W - Comments: Ebihara, Masahiro; Fuma, Yasuhiro Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions Acta Crystallographica Section B 69(5) (2013) 480-489 Space group: I 41/a :2 Cell volume: 2724.8 Cell parameters: 9.5905; 9.5905; 29.625; 90; 90; 90;

COD ID: 2105500
CIF file Original IUCr paper	Formula: - C16 H32 Cr N8 O12 Ru4 - Comments: Ebihara, Masahiro; Fuma, Yasuhiro Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions Acta Crystallographica Section B 69(5) (2013) 480-489 Space group: I 41/a :2 Cell volume: 2678.8 Cell parameters: 9.4232; 9.4232; 30.168; 90; 90; 90;

COD ID: 2105501
CIF file Original IUCr paper	Formula: - C16 H32 Mo N8 O12 Ru4 - Comments: Ebihara, Masahiro; Fuma, Yasuhiro Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions Acta Crystallographica Section B 69(5) (2013) 480-489 Space group: I 41/a :2 Cell volume: 2730.2 Cell parameters: 9.5504; 9.5504; 29.933; 90; 90; 90;

COD ID: 2105502
CIF file Original IUCr paper	Formula: - C16 H32 N8 O12 Ru4 W - Comments: Ebihara, Masahiro; Fuma, Yasuhiro Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions Acta Crystallographica Section B 69(5) (2013) 480-489 Space group: I 41/a :2 Cell volume: 2743.9 Cell parameters: 9.5668; 9.5668; 29.98; 90; 90; 90;

COD ID: 2105503
CIF file Original IUCr paper	Formula: - C24 H50.16 Cr N8 O13.08 Rh4 - Comments: Ebihara, Masahiro; Fuma, Yasuhiro Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions Acta Crystallographica Section B 69(5) (2013) 480-489 Space group: P -1 Cell volume: 2119.9 Cell parameters: 12.978; 13.576; 14.498; 112.405; 101.362; 106.816;

COD ID: 2105504
CIF file Original IUCr paper	Formula: - C24 H52.88 Mo N8 O14.44 Rh4 - Comments: Ebihara, Masahiro; Fuma, Yasuhiro Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions Acta Crystallographica Section B 69(5) (2013) 480-489 Space group: P -1 Cell volume: 2180.4 Cell parameters: 12.952; 13.849; 14.679; 112.46; 99.574; 108.472;

COD ID: 2105505
CIF file Original IUCr paper	Formula: - C32 H64 Mo N8 O12 Rh4 - Comments: Ebihara, Masahiro; Fuma, Yasuhiro Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions Acta Crystallographica Section B 69(5) (2013) 480-489 Space group: P -1 Cell volume: 4622 Cell parameters: 15.567; 15.778; 19.221; 87.72; 89.872; 78.448;

COD ID: 2105506
CIF file Original IUCr paper	Formula: - C10 H14 O5 - Comments: Jahangiri, Amita; Fleckhaus, Andre; Lidin, Sven; Strand, Daniel Allotwinning in a molecular crystal: (1<i>R</i>,3<i>S</i>)-dimethyl 2-oxocyclohexane-1,3-dicarboxylate Acta Crystallographica Section B 69(5) (2013) 509-513 Space group: X c Cell volume: 2090.9 Cell parameters: 37.8883; 4.7233; 11.6835; 90; 90; 90;

COD ID: 2105683
CIF file Original IUCr paper	Formula: - C4 H10 Ag2 N4 O10 - Comments: Choudhury, R. R.; Chitra, R.; Aliouane, N.; Schefer, J. Ferroelectric glycine silver nitrate: a single-crystal neutron diffraction study Acta Crystallographica Section B 69(6) (2013) 595-602 Space group: P 1 21 1 Cell volume: 569.1 Cell parameters: 5.451; 19.493; 5.441; 90; 100.12; 90;

COD ID: 2105684
CIF file Original IUCr paper	Formula: - C4 H10 Ag2 N4 O10 - Comments: Choudhury, R. R.; Chitra, R.; Aliouane, N.; Schefer, J. Ferroelectric glycine silver nitrate: a single-crystal neutron diffraction study Acta Crystallographica Section B 69(6) (2013) 595-602 Space group: P 1 21/a 1 Cell volume: 579.5 Cell parameters: 5.451; 19.493; 5.541; 90; 100.2; 90;

COD ID: 2105685

Formula: - Mg2 O6 Si2 -
Comments: Yoshiasa, Akira; Nakatsuka, Akihiko; Okube, Maki; Katsura, Tomoo Single-crystal metastable high-temperature C2/c clinoenstatite quenched rapidly from high temperature and high pressure Acta Crystallographica Section B 69(6) (2013) 541-546
Space group: C 1 2/c 1
Cell volume: 411.72
Cell parameters: 9.5387; 8.6601; 5.262; 90; 108.701; 90;

COD ID: 2105686

Formula: - C9 H18 N3 S6 Sb -
Comments: Chauhan, H. P. S.; Carpenter, Jaswant Supramolecular association via Sb···S and C—H···S interactions in dimeric tris(N,N-dimethyldithiocarbamato-S,S')antimony(III): an approach to overcome the concept of steric bulk on such interactions Acta Crystallographica Section B 69(6) (2013) 613-620
Space group: P -1
Cell volume: 1792.8
Cell parameters: 10.8746; 11.2843; 15.0197; 99.886; 96.852; 94.714;

COD ID: 2105687
CIF file Original IUCr paper	Formula: - Sn6.97 Tb3 - Comments: Oshchapovsky, Igor; Pavlyuk, Volodymyr; Chumak, Igor Tb~3~Sn~7~: polymorphism and crystal structure of high-temperature modification Acta Crystallographica Section B 69(6) (2013) 527-533 Space group: P m m m Cell volume: 512.22 Cell parameters: 4.3352; 4.4251; 26.7006; 90; 90; 90;

COD ID: 2105688

Formula: - C11 H12 N O4 P -
Comments: Małecka, Magdalena; Mondal, Swastik; van Smaalen, Sander; Paulmann, Carsten Charge density distribution of 3-(1-aminoethylidene)-2-methoxy-2-oxo-2,3-dihydro-2λ^5^-benzo[e][1,2]oxaphosphinin-4-one Acta Crystallographica Section B 69(6) (2013) 621-628
Space group: P 21 21 21
Cell volume: 1189.8
Cell parameters: 9.2532; 10.1555; 12.661; 90; 90; 90;

COD ID: 2105689
CIF file Original IUCr paper	Formula: - F Mn Na O4 S - Comments: Barpanda, Prabeer; Ling, Chris D.; Oyama, Gosuke; Yamada, Atsuo Sodium manganese fluorosulfate with a triplite structure Acta Crystallographica Section B 69(6) (2013) 584-588 Space group: C 1 2/c 1 Cell volume: 806.779 Cell parameters: 13.77027; 6.63687; 10.35113; 90; 121.479; 90;

COD ID: 2105690
CIF file Original IUCr paper	Formula: - C6 H10 N Na O3 - Comments: Clegg, William; Tooke, Duncan M. Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures Acta Crystallographica Section B 69(6) (2013) 603-612 Space group: P 1 21/c 1 Cell volume: 800.73 Cell parameters: 13.8784; 8.3444; 6.9228; 90; 92.832; 90;

COD ID: 2105691
CIF file Original IUCr paper	Formula: - C6 H10 K N O3 - Comments: Clegg, William; Tooke, Duncan M. Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures Acta Crystallographica Section B 69(6) (2013) 603-612 Space group: P c c n Cell volume: 1725.4 Cell parameters: 8.2804; 28.818; 7.2304; 90; 90; 90;

COD ID: 2105692
CIF file Original IUCr paper	Formula: - C6 H8 N O2 Rb - Comments: Clegg, William; Tooke, Duncan M. Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures Acta Crystallographica Section B 69(6) (2013) 603-612 Space group: P 1 21/c 1 Cell volume: 759.35 Cell parameters: 13.9109; 7.8661; 7.0235; 90; 98.8733; 90;

COD ID: 2105693
CIF file Original IUCr paper	Formula: - C6 H8 Cs N O2 - Comments: Clegg, William; Tooke, Duncan M. Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures Acta Crystallographica Section B 69(6) (2013) 603-612 Space group: P 1 21/c 1 Cell volume: 811.5 Cell parameters: 14.174; 8.2056; 7.0984; 90; 100.605; 90;

COD ID: 2105694
CIF file Original IUCr paper	Formula: - C7 H10 Cs N O2 - Comments: Clegg, William; Tooke, Duncan M. Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures Acta Crystallographica Section B 69(6) (2013) 603-612 Space group: P 1 21/c 1 Cell volume: 934 Cell parameters: 10.764; 12.106; 7.1736; 90; 92.363; 90;

COD ID: 2105695
CIF file Original IUCr paper	Formula: - C8 H12 Cs N O2 - Comments: Clegg, William; Tooke, Duncan M. Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures Acta Crystallographica Section B 69(6) (2013) 603-612 Space group: P 1 21/c 1 Cell volume: 2068.6 Cell parameters: 11.6376; 24.98; 7.2431; 90; 100.756; 90;

COD ID: 2105936
CIF file Original IUCr paper	Formula: - C10 H14 O5 - Comments: Jahangiri, Amita; Fleckhaus, Andre; Lidin, Sven; Strand, Daniel Allotwinning in a molecular crystal: (1<i>R</i>,3<i>S</i>)-dimethyl 2-oxocyclohexane-1,3-dicarboxylate Acta Crystallographica Section B 69(5) (2013) 509-513 Space group: Xmc21 Cell volume: 2090.85 Cell parameters: 37.8883; 4.7233; 11.6835; 90; 90; 90;

COD ID: 2105937

COD ID: 2105938

COD ID: 2105939

COD ID: 2105940

COD ID: 2105941

COD ID: 2105942

COD ID: 2105943

COD ID: 2105944

COD ID: 2310735

Formula: - Fe0.615 La3.333 O11.333 Ti2.718 -
Comments: Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 69(2) (2013) 137-144
Space group: P 1 21/c 1 (2*c,2*a+c,b)
Cell volume: 226.1
Cell parameters: 7.827; 5.218; 5.537; 90; 90; 90.02;

COD ID: 2310736

Formula: - Fe0.615 La3.333 O11.333 Ti2.718 -
Comments: Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 69(2) (2013) 137-144
Space group: P 1 21/c 1 (2*c,2*a+c,b)
Cell volume: 226.37
Cell parameters: 7.8266; 5.2203; 5.5404; 90; 90; 89.988;

COD ID: 2310737

Formula: - Fe0.615 La3.333 O11.333 Ti2.718 -
Comments: Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 69(2) (2013) 137-144
Space group: P 1 21/c 1 (2*c,2*a+c,b)
Cell volume: 226.55
Cell parameters: 7.8295; 5.2213; 5.5418; 90; 90; 89.994;

COD ID: 2310738

Formula: - Fe0.615 La3.333 O11.333 Ti2.718 -
Comments: Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 69(2) (2013) 137-144
Space group: P 1 21/c 1 (2*c,2*a+c,b)
Cell volume: 226.82
Cell parameters: 7.8339; 5.2222; 5.5444; 90; 90; 90.007;

COD ID: 2310739

Formula: - Fe0.615 La3.333 O11.333 Ti2.718 -
Comments: Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 69(2) (2013) 137-144
Space group: P 1 21/c 1 (2*c,2*a+c,b)
Cell volume: 227.04
Cell parameters: 7.837; 5.2237; 5.5459; 90; 90; 90.001;

COD ID: 2310740

Formula: - Fe0.615 La3.333 O11.333 Ti2.718 -
Comments: Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 69(2) (2013) 137-144
Space group: P 1 21/c 1 (2*c,2*a+c,b)
Cell volume: 227.18
Cell parameters: 7.8394; 5.2244; 5.5468; 90; 90; 89.997;

COD ID: 2310741

Formula: - Fe0.615 La3.333 O11.333 Ti2.718 -
Comments: Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 69(2) (2013) 137-144
Space group: P 1 21/c 1 (2*c,2*a+c,b)
Cell volume: 227.37
Cell parameters: 7.8422; 5.2254; 5.5484; 90; 90; 89.998;

COD ID: 2310742

Formula: - Fe0.571 La3.429 O11.429 Ti2.858 -
Comments: Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 69(2) (2013) 137-144
Space group: P 1 21/c 1 (2*c,2*a+c,b)
Cell volume: 228.61
Cell parameters: 7.821; 5.2697; 5.5468; 90; 90; 90.02;

COD ID: 2310743

Formula: - Fe0.571 La3.429 O11.429 Ti2.858 -
Comments: Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 69(2) (2013) 137-144
Space group: P 1 21/c 1 (2*c,2*a+c,b)
Cell volume: 228.88
Cell parameters: 7.8248; 5.2721; 5.5483; 90; 90; 90.007;

COD ID: 2310744

Formula: - Fe0.571 La3.429 O11.429 Ti2.858 -
Comments: Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 69(2) (2013) 137-144
Space group: P 1 21/c 1 (2*c,2*a+c,b)
Cell volume: 228.99
Cell parameters: 7.8267; 5.2714; 5.5503; 90; 90; 90.019;

COD ID: 2310745

Formula: - Fe0.571 La3.429 O11.429 Ti2.858 -
Comments: Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 69(2) (2013) 137-144
Space group: P 1 21/c 1 (2*c,2*a+c,b)
Cell volume: 229.26
Cell parameters: 7.8302; 5.2737; 5.5518; 90; 90; 90.001;

COD ID: 2310746

Formula: - Fe0.571 La3.429 O11.429 Ti2.858 -
Comments: Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 69(2) (2013) 137-144
Space group: P 1 21/c 1 (2*c,2*a+c,b)
Cell volume: 229.79
Cell parameters: 7.8367; 5.2775; 5.5561; 90; 90; 90.044;

COD ID: 2310747

Formula: - Fe0.571 La3.429 O11.429 Ti2.858 -
Comments: Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 69(2) (2013) 137-144
Space group: P 1 21/c 1 (2*c,2*a+c,b)
Cell volume: 229.44
Cell parameters: 7.8339; 5.2752; 5.552; 90; 90; 89.99;

COD ID: 2310748