Search results

Formula: - Li0.63 Zn0.87 -
Comments: Pavlyuk, Volodymyr; Chumak, Ihor; Ehrenberg, Helmut Polymorphism of Li~2~Zn~3~ Acta Crystallographica Section B 68(1) (2012) 34-39
Space group: R -3 m :H
Cell volume: 312.2
Cell parameters: 4.386; 4.386; 18.738; 90; 90; 120;

COD ID: 2105050
CIF file Original IUCr paper	Formula: - Li0.62 Zn0.87 - Comments: Pavlyuk, Volodymyr; Chumak, Ihor; Ehrenberg, Helmut Polymorphism of Li~2~Zn~3~ Acta Crystallographica Section B 68(1) (2012) 34-39 Space group: P -3 m 1 Cell volume: 131.32 Cell parameters: 4.3528; 4.3528; 8.003; 90; 90; 120;

COD ID: 2105051

Formula: - Cl4 Cu O12 Pb5 Se4 -
Comments: Gemmi, Mauro; Campostrini, Italo; Demartin, Francesco; Gorelik, Tatiana E.; Gramaccioli, Carlo Maria Structure of the new mineral sarrabusite, Pb~5~CuCl~4~(SeO~3~)~4~, solved by manual electron-diffraction tomography Acta Crystallographica Section B 68(1) (2012) 15-23
Space group: C 1 2/c 1
Cell volume: 1912.8
Cell parameters: 24.917; 5.506; 14.242; 90; 101.77; 90;

COD ID: 2105052
CIF file Original IUCr paper	Formula: - C8 H9 N O2 - Comments: Chan, E. J.; Goossens, D. J. Study of the single-crystal X-ray diffuse scattering in paracetamol polymorphs Acta Crystallographica Section B 68(1) (2012) 80-88 Space group: P b c a Cell volume: 1500.19 Cell parameters: 11.8237; 7.3971; 17.1526; 90; 90; 90;

COD ID: 2105053
CIF file Original IUCr paper	Formula: - C6 H4 Br2 Cs2 O6 - Comments: Molčanov, Krešimir; Kojić-Prodić, Biserka Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid Acta Crystallographica Section B 68(1) (2012) 57-65 Space group: P 1 21/n 1 Cell volume: 633.44 Cell parameters: 4.338; 9.7036; 15.1253; 90; 95.793; 90;

COD ID: 2105054

Formula: - C6 H4 Br2 K2 O6 -
Comments: Molčanov, Krešimir; Kojić-Prodić, Biserka Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid Acta Crystallographica Section B 68(1) (2012) 57-65
Space group: P 1 21/c 1
Cell volume: 542.77
Cell parameters: 3.8441; 9.4171; 15.1001; 90; 96.813; 90;

COD ID: 2105055

Formula: - C6 H4 Br2 O6 Rb2 -
Comments: Molčanov, Krešimir; Kojić-Prodić, Biserka Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid Acta Crystallographica Section B 68(1) (2012) 57-65
Space group: P 1 21/n 1
Cell volume: 577.45
Cell parameters: 4.0228; 9.5488; 15.1307; 90; 96.521; 90;

COD ID: 2105056

Formula: - C6 H7 Br2 O7 Rb -
Comments: Molčanov, Krešimir; Kojić-Prodić, Biserka Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid Acta Crystallographica Section B 68(1) (2012) 57-65
Space group: P 42/n :2
Cell volume: 2267
Cell parameters: 18.6351; 18.6351; 6.528; 90; 90; 90;

COD ID: 2105057

Formula: - C6 H7 Br2 Cs O7 -
Comments: Molčanov, Krešimir; Kojić-Prodić, Biserka Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid Acta Crystallographica Section B 68(1) (2012) 57-65
Space group: P 42/n :2
Cell volume: 2394.82
Cell parameters: 18.9442; 18.9442; 6.673; 90; 90; 90;

COD ID: 2105058

Formula: - C6 H8 Br2 Na2 O8 -
Comments: Molčanov, Krešimir; Kojić-Prodić, Biserka Face-to-face stacking of quinoid rings of alkali salts of bromanilic acid Acta Crystallographica Section B 68(1) (2012) 57-65
Space group: P -1
Cell volume: 606.03
Cell parameters: 8.0223; 8.6764; 9.9131; 108.113; 110.543; 91.991;

COD ID: 2105059

Formula: - O3 Sb2 -
Comments: Orosel, Denis; Dinnebier, Robert E.; Blatov, Vladislav A.; Jansen, Martin Structure of a new high-pressure‒high-temperature modification of antimony(III) oxide, γ-Sb~2~O~3~, from high-resolution synchrotron powder diffraction data Acta Crystallographica Section B 68(1) (2012) 1-7
Space group: P 21 21 21
Cell volume: 658.609
Cell parameters: 11.6411; 7.5666; 7.4771; 90; 90; 90;

COD ID: 2105060
CIF file Original IUCr paper	Formula: - Cl2 H8 Mg O12 - Comments: Solovyov, Leonid A. Revision of the Mg(ClO~4~)~2~·4H~2~O crystal structure Acta Crystallographica Section B 68(1) (2012) 89-90 Space group: C 1 2/m 1 Cell volume: 504.46 Cell parameters: 11.4802; 8.0016; 5.9363; 90; 112.317; 90;

COD ID: 2105061

Formula: - C24 H48 B2 F8 Fe N24 -
Comments: Kusz, Joachim; Zubko, Maciej; Neder, Reinhard B.; Gütlich, Phillipp Structural phase transition to disorder low-temperature phase in [Fe(ptz)~6~](BF~4~)~2~ spin-crossover compounds Acta Crystallographica Section B 68(1) (2012) 40-56
Space group: P -1
Cell volume: 4148.2
Cell parameters: 16.1235; 16.045; 16.3134; 83.583; 96.87; 95.663;

COD ID: 2105062

Formula: - C24 H48 B2 F8 Fe N24 -
Comments: Kusz, Joachim; Zubko, Maciej; Neder, Reinhard B.; Gütlich, Phillipp Structural phase transition to disorder low-temperature phase in [Fe(ptz)~6~](BF~4~)~2~ spin-crossover compounds Acta Crystallographica Section B 68(1) (2012) 40-56
Space group: C -1
Cell volume: 4148.2
Cell parameters: 16.1235; 16.045; 16.3134; 83.583; 96.87; 95.663;

COD ID: 2105063

Formula: - C24 H48 B2 F8 Fe N24 -
Comments: Kusz, Joachim; Zubko, Maciej; Neder, Reinhard B.; Gütlich, Phillipp Structural phase transition to disorder low-temperature phase in [Fe(ptz)~6~](BF~4~)~2~ spin-crossover compounds Acta Crystallographica Section B 68(1) (2012) 40-56
Space group: C -1
Cell volume: 4246.89
Cell parameters: 16.3473; 16.3475; 16.3475; 81.815; 98.175; 98.18;

COD ID: 2105064
CIF file Original IUCr paper	Formula: - C24 H48 B2 F8 Fe N24 - Comments: Kusz, Joachim; Zubko, Maciej; Neder, Reinhard B.; Gütlich, Phillipp Structural phase transition to disorder low-temperature phase in [Fe(ptz)~6~](BF~4~)~2~ spin-crossover compounds Acta Crystallographica Section B 68(1) (2012) 40-56 Space group: R -3 :H Cell volume: 3183.44 Cell parameters: 10.7023; 10.7023; 32.0931; 90; 90; 120;

COD ID: 2105065

Formula: - C84 H24 -
Comments: Olmstead, Marilyn M.; Balch, Alan L.; Lee, Hon Man An order‒disorder phase transition in the structure of C~60~·4benzene Acta Crystallographica Section B 68(1) (2012) 66-70
Space group: P -1
Cell volume: 2294.5
Cell parameters: 9.9555; 15.0855; 17.5006; 65.258; 88.309; 74.854;

COD ID: 2105066

Formula: - C84 H24 -
Comments: Olmstead, Marilyn M.; Balch, Alan L.; Lee, Hon Man An order‒disorder phase transition in the structure of C~60~·4benzene Acta Crystallographica Section B 68(1) (2012) 66-70
Space group: P -1
Cell volume: 4541.9
Cell parameters: 9.9217; 15.044; 34.807; 65.371; 88.254; 74.912;

COD ID: 2105067

Formula: - C84 H24 -
Comments: Olmstead, Marilyn M.; Balch, Alan L.; Lee, Hon Man An order‒disorder phase transition in the structure of C~60~·4benzene Acta Crystallographica Section B 68(1) (2012) 66-70
Space group: P -1
Cell volume: 4500.2
Cell parameters: 9.8842; 15.0159; 34.691; 65.377; 88.098; 74.812;

COD ID: 2105068
CIF file Original IUCr paper	Formula: - C16 H19 N O5 - Comments: Karabıyık, Hasan; Karabıyık, Hande; Ocak İskeleli, Nazan Hydrogen-bridged chelate ring-assisted π-stacking interactions Acta Crystallographica Section B 68(1) (2012) 71-79 Space group: P -1 Cell volume: 759.24 Cell parameters: 5.0816; 11.0087; 14.5301; 108.935; 97.042; 93.092;

COD ID: 2105069

Formula: - C5 H6 Cl Cr N O3 -
Comments: Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods Acta Crystallographica Section B 68(2) (2012) 128-136
Space group: R -3 m :H
Cell volume: 660.3
Cell parameters: 9.021; 9.021; 9.369; 90; 90; 120;

COD ID: 2105070

Formula: - C5 H6 Cl Cr N O3 -
Comments: Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods Acta Crystallographica Section B 68(2) (2012) 128-136
Space group: R 3 m :H
Cell volume: 635.15
Cell parameters: 8.8349; 8.8349; 9.396; 90; 90; 120;

COD ID: 2105071

Formula: - C5 H6 Cl Cr N O3 -
Comments: Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods Acta Crystallographica Section B 68(2) (2012) 128-136
Space group: C 1 m 1
Cell volume: 420.74
Cell parameters: 7.7193; 8.6842; 6.3139; 90; 96.25; 90;

COD ID: 2105072

Formula: - C5 H6 Cl Cr N O3 -
Comments: Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods Acta Crystallographica Section B 68(2) (2012) 128-136
Space group: C 1 c 1
Cell volume: 806.92
Cell parameters: 7.3539; 8.4985; 12.9706; 90; 95.481; 90;

COD ID: 2105073

Formula: - C50 H102 O46 S2 -
Comments: Rácz, Csaba-Pal; Borodi, Gheorghe; Pop, Mihaela Maria; Kacso, Irina; Sánta, Szabolcs; Tomoaia-Cotisel, Maria Structure of the inclusion complex of β-cyclodextrin with lipoic acid from laboratory powder diffraction data Acta Crystallographica Section B 68(2) (2012) 164-170
Space group: C 1 2 1
Cell volume: 6812.18
Cell parameters: 18.8929; 24.4634; 15.7376; 90; 110.52; 90;

COD ID: 2105074

Formula: - C12 H9 F N2 O -
Comments: Mocilac, Pavle; Donnelly, Katie; Gallagher, John F. Structural systematics and conformational analyses of a 3 × 3 isomer grid of fluoro-N-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships Acta Crystallographica Section B 68(2) (2012) 189-203
Space group: P 1 21/c 1
Cell volume: 1006.4
Cell parameters: 5.6777; 11.4769; 15.5289; 90; 95.974; 90;

COD ID: 2105075

Formula: - C12 H9 F N2 O -
Comments: Mocilac, Pavle; Donnelly, Katie; Gallagher, John F. Structural systematics and conformational analyses of a 3 × 3 isomer grid of fluoro-N-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships Acta Crystallographica Section B 68(2) (2012) 189-203
Space group: P 1 21/c 1
Cell volume: 995.76
Cell parameters: 5.7961; 11.305; 15.2384; 90; 94.238; 90;

COD ID: 2105076

Formula: - C12 H9 F N2 O -
Comments: Mocilac, Pavle; Donnelly, Katie; Gallagher, John F. Structural systematics and conformational analyses of a 3 × 3 isomer grid of fluoro-N-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships Acta Crystallographica Section B 68(2) (2012) 189-203
Space group: P 1 21/c 1
Cell volume: 1009.72
Cell parameters: 6.0388; 11.2502; 14.9265; 90; 95.31; 90;

COD ID: 2105077

Formula: - C12 H9 F N2 O -
Comments: Mocilac, Pavle; Donnelly, Katie; Gallagher, John F. Structural systematics and conformational analyses of a 3 × 3 isomer grid of fluoro-N-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships Acta Crystallographica Section B 68(2) (2012) 189-203
Space group: P 1 21/n 1
Cell volume: 992.74
Cell parameters: 13.9411; 5.204; 15.0752; 90; 114.812; 90;

COD ID: 2105078

Formula: - C12 H9 F N2 O -
Comments: Mocilac, Pavle; Donnelly, Katie; Gallagher, John F. Structural systematics and conformational analyses of a 3 × 3 isomer grid of fluoro-N-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships Acta Crystallographica Section B 68(2) (2012) 189-203
Space group: P 1 21/n 1
Cell volume: 1009.69
Cell parameters: 3.9077; 24.2444; 10.7012; 90; 95.181; 90;

COD ID: 2105079

Formula: - C12 H9 F N2 O -
Comments: Mocilac, Pavle; Donnelly, Katie; Gallagher, John F. Structural systematics and conformational analyses of a 3 × 3 isomer grid of fluoro-N-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships Acta Crystallographica Section B 68(2) (2012) 189-203
Space group: P c a 21
Cell volume: 1019.67
Cell parameters: 11.302; 11.8371; 7.6218; 90; 90; 90;

COD ID: 2105080

Formula: - C12 H9 F N2 O -
Comments: Mocilac, Pavle; Donnelly, Katie; Gallagher, John F. Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-N-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships Acta Crystallographica Section B 68(2) (2012) 189-203
Space group: P 1 21 1
Cell volume: 2999.41
Cell parameters: 16.2051; 5.2239; 35.8162; 90; 98.405; 90;

COD ID: 2105081

Formula: - C12 H9 F N2 O -
Comments: Mocilac, Pavle; Donnelly, Katie; Gallagher, John F. Structural systematics and conformational analyses of a 3 × 3 isomer grid of fluoro-N-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships Acta Crystallographica Section B 68(2) (2012) 189-203
Space group: P 1 21/n 1
Cell volume: 987.35
Cell parameters: 5.4788; 8.8223; 20.4414; 90; 92.15; 90;

COD ID: 2105082

Formula: - C12 H9 F N2 O -
Comments: Mocilac, Pavle; Donnelly, Katie; Gallagher, John F. Structural systematics and conformational analyses of a 3 × 3 isomer grid of fluoro-N-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships Acta Crystallographica Section B 68(2) (2012) 189-203
Space group: P b c n
Cell volume: 2100.58
Cell parameters: 24.3381; 7.9334; 10.8791; 90; 90; 90;

COD ID: 2105083

Formula: - C12 H9 F N2 O -
Comments: Mocilac, Pavle; Donnelly, Katie; Gallagher, John F. Structural systematics and conformational analyses of a 3 × 3 isomer grid of fluoro-N-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships Acta Crystallographica Section B 68(2) (2012) 189-203
Space group: P -1
Cell volume: 1034.49
Cell parameters: 10.4219; 10.7183; 11.0188; 102.286; 97.356; 117.074;

COD ID: 2105084

Formula: - C12 H9 F N2 O -
Comments: Mocilac, Pavle; Donnelly, Katie; Gallagher, John F. Structural systematics and conformational analyses of a 3 × 3 isomer grid of fluoro-N-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships Acta Crystallographica Section B 68(2) (2012) 189-203
Space group: P -1
Cell volume: 1048.87
Cell parameters: 9.756; 10.7699; 11.9694; 64.412; 68.453; 86.091;

COD ID: 2105085

Formula: - C18 H12 N4 O4 -
Comments: Vella-Zarb, Liana; Dinnebier, Robert E. Form, function and functionality of two dimeric toluene-2,4-diisocyanate polymorphs Acta Crystallographica Section B 68(2) (2012) 204-208
Space group: P -1
Cell volume: 391.747
Cell parameters: 4.53125; 5.99235; 14.7567; 88.2562; 81.6029; 81.2337;

COD ID: 2105086
CIF file Original IUCr paper	Formula: - C18 H12 N4 O4 - Comments: Vella-Zarb, Liana; Dinnebier, Robert E. Form, function and functionality of two dimeric toluene-2,4-diisocyanate polymorphs Acta Crystallographica Section B 68(2) (2012) 204-208 Space group: P -1 Cell volume: 770.563 Cell parameters: 9.09477; 7.45366; 12.75989; 93.5753; 99.7115; 114.005;

COD ID: 2105087

Formula: - C44 H42 Br5 Fe3 N6 Ni O4 -
Comments: Guzei, Ilia; Herbst-Irmer, Regine; Munyaneza, Apollinaire; Darkwa, James Detailed example of the identification and crystallographic analysis of a pseudo-merohedrally twinned crystal Acta Crystallographica Section B 68(2) (2012) 150-157
Space group: C 1 c 1
Cell volume: 4714.25
Cell parameters: 15.2181; 22.008; 16.0005; 90; 118.393; 90;

COD ID: 2105088

Formula: - C75 H44 N8 O23.04 Zn5 -
Comments: Zheng, Ran; Han, Lei; Pan, Qinhe; Christensen, Kirsten E.; Ren, Tiezhen Two novel Zn-MOFs: structures and characterization Acta Crystallographica Section B 68(2) (2012) 158-163
Space group: C 1 2/c 1
Cell volume: 13924
Cell parameters: 33.957; 23.8834; 17.1688; 90; 90.079; 90;

COD ID: 2105089

Formula: - C42 H22 N4 O17 Zn4 -
Comments: Zheng, Ran; Han, Lei; Pan, Qinhe; Christensen, Kirsten E.; Ren, Tiezhen Two novel Zn-MOFs: structures and characterization Acta Crystallographica Section B 68(2) (2012) 158-163
Space group: C 1 2/c 1
Cell volume: 4134.1
Cell parameters: 15.4925; 15.6741; 17.0388; 90; 92.353; 90;

COD ID: 2105090
CIF file Original IUCr paper	Formula: - C30 H36 Cl2 N6 O6 Ru - Comments: Low, Kian Sing; Cole, Jacqueline M.; Zhou, Xiaolan; Yufa, Nataliya Rationalizing the molecular origins of Ru- and Fe-based dyes for dye-sensitized solar cells Acta Crystallographica Section B 68(2) (2012) 137-149 Space group: P 6/m c c Cell volume: 3138.5 Cell parameters: 13.1383; 13.1383; 20.995; 90; 90; 120;

COD ID: 2105091
CIF file Original IUCr paper	Formula: - C32 H24 Fe N8 S2 - Comments: Low, Kian Sing; Cole, Jacqueline M.; Zhou, Xiaolan; Yufa, Nataliya Rationalizing the molecular origins of Ru- and Fe-based dyes for dye-sensitized solar cells Acta Crystallographica Section B 68(2) (2012) 137-149 Space group: P 6/m c c Cell volume: 3202.2 Cell parameters: 13.1837; 13.1837; 21.2735; 90; 90; 120;

COD ID: 2105093

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 1 21/n 1
Cell volume: 443
Cell parameters: 4.8431; 9.0258; 10.319; 90; 100.86; 90;

COD ID: 2105094

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 1 21/n 1
Cell volume: 437.6
Cell parameters: 4.8424; 8.9832; 10.25; 90; 101.03; 90;

COD ID: 2105095

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 1 21/n 1
Cell volume: 431.6
Cell parameters: 4.8307; 8.956; 10.175; 90; 101.33; 90;

COD ID: 2105096

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 1 21/n 1
Cell volume: 427.9
Cell parameters: 4.8361; 8.9202; 10.123; 90; 101.49; 90;

COD ID: 2105097

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 1 21/n 1
Cell volume: 425.6
Cell parameters: 4.8329; 8.9119; 10.088; 90; 101.58; 90;

COD ID: 2105098

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 1 21/n 1
Cell volume: 423.7
Cell parameters: 4.8235; 8.8863; 10.094; 90; 101.69; 90;

COD ID: 2105099

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 1 21/n 1
Cell volume: 414.7
Cell parameters: 4.8098; 8.8377; 9.971; 90; 101.94; 90;

COD ID: 2105100

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 1 21/n 1
Cell volume: 408.2
Cell parameters: 4.7926; 8.7932; 9.907; 90; 102.14; 90;

COD ID: 2105101

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 1 21/n 1
Cell volume: 402.2
Cell parameters: 4.7708; 8.7429; 9.864; 90; 102.14; 90;

COD ID: 2105102

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 1 21/n 1
Cell volume: 396
Cell parameters: 4.7576; 8.7046; 9.785; 90; 102.25; 90;

COD ID: 2105103

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 1 21/n 1
Cell volume: 391
Cell parameters: 4.7505; 8.6644; 9.725; 90; 102.35; 90;

COD ID: 2105104

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 21 21 21
Cell volume: 442.3
Cell parameters: 5.59; 8.569; 9.233; 90; 90; 90;

COD ID: 2105105

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 21 21 21
Cell volume: 443.6
Cell parameters: 5.603; 8.577; 9.231; 90; 90; 90;

COD ID: 2105106

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 21 21 21
Cell volume: 436.6
Cell parameters: 5.5885; 8.542; 9.146; 90; 90; 90;

COD ID: 2105107

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 21 21 21
Cell volume: 427.3
Cell parameters: 5.5741; 8.436; 9.088; 90; 90; 90;

COD ID: 2105108

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 21 21 21
Cell volume: 427.4
Cell parameters: 5.5668; 8.463; 9.072; 90; 90; 90;

COD ID: 2105109

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 21 21 21
Cell volume: 410.5
Cell parameters: 5.514; 8.396; 8.868; 90; 90; 90;

COD ID: 2105110

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 21 21 21
Cell volume: 407.4
Cell parameters: 5.5267; 8.366; 8.812; 90; 90; 90;

COD ID: 2105111

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 21 21 21
Cell volume: 395.1
Cell parameters: 5.489; 8.339; 8.632; 90; 90; 90;

COD ID: 2105112

Formula: - C3 H7 N O3 -
Comments: Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V. Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study Acta Crystallographica Section B 68(3) (2012) 275-286
Space group: P 21 21 21
Cell volume: 374.9
Cell parameters: 5.631; 6.921; 9.619; 90; 90; 90;

COD ID: 2105113

Formula: - C7 H13 N O6 -
Comments: Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V. Low-temperature phase transition in glycine–glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry Acta Crystallographica Section B 68(3) (2012) 287-296
Space group: P 1 21/c 1
Cell volume: 960
Cell parameters: 4.911; 20.922; 10.2744; 90; 114.586; 90;

COD ID: 2105114

Formula: - C7 H13 N O6 -
Comments: Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V. Low-temperature phase transition in glycine–glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry Acta Crystallographica Section B 68(3) (2012) 287-296
Space group: P 1 21/c 1
Cell volume: 957
Cell parameters: 4.9022; 20.901; 10.273; 90; 114.6; 90;

COD ID: 2105115

Formula: - C7 H13 N O6 -
Comments: Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V. Low-temperature phase transition in glycine–glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry Acta Crystallographica Section B 68(3) (2012) 287-296
Space group: P 1 21/c 1
Cell volume: 954.3
Cell parameters: 4.896; 20.878; 10.2701; 90; 114.634; 90;

COD ID: 2105116

Formula: - C7 H13 N O6 -
Comments: Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V. Low-temperature phase transition in glycine–glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry Acta Crystallographica Section B 68(3) (2012) 287-296
Space group: P 1 21/c 1
Cell volume: 951.5
Cell parameters: 4.8888; 20.859; 10.2664; 90; 114.648; 90;

COD ID: 2105117

Formula: - C7 H13 N O6 -
Comments: Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V. Low-temperature phase transition in glycine–glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry Acta Crystallographica Section B 68(3) (2012) 287-296
Space group: P -1
Cell volume: 926
Cell parameters: 4.9155; 20.215; 10.1862; 85.578; 113.133; 88.301;

COD ID: 2105118

Formula: - C7 H13 N O6 -
Comments: Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V. Low-temperature phase transition in glycine–glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry Acta Crystallographica Section B 68(3) (2012) 287-296
Space group: P -1
Cell volume: 923.3
Cell parameters: 4.9098; 20.194; 10.1777; 85.571; 113.118; 88.306;

COD ID: 2105119

Formula: - C7 H13 N O6 -
Comments: Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V. Low-temperature phase transition in glycine–glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry Acta Crystallographica Section B 68(3) (2012) 287-296
Space group: P -1
Cell volume: 919.7
Cell parameters: 4.9021; 20.167; 10.1686; 85.54; 113.122; 88.27;

COD ID: 2105120

Formula: - C7 H13 N O6 -
Comments: Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V. Low-temperature phase transition in glycine–glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry Acta Crystallographica Section B 68(3) (2012) 287-296
Space group: P -1
Cell volume: 917
Cell parameters: 4.8952; 20.151; 10.1585; 85.518; 113.088; 88.264;

COD ID: 2105121

Formula: - C7 H13 N O6 -
Comments: Zakharov, Boris A.; Losev, Evgeniy A.; Kolesov, Boris A.; Drebushchak, Valeri A.; Boldyreva, Elena V. Low-temperature phase transition in glycine–glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetry Acta Crystallographica Section B 68(3) (2012) 287-296
Space group: P -1
Cell volume: 914.5
Cell parameters: 4.8884; 20.136; 10.1518; 85.486; 113.065; 88.263;

COD ID: 2105122

Formula: - C22 H32 N6 O12 S2 -
Comments: Schürmann, C. J.; Pröpper, K.; Wagner, T.; Dittrich, B. Invariom modeling of ceftazidime pentahydrate: molecular properties from a 200 second synchrotron microcrystal experiment Acta Crystallographica Section B 68(3) (2012) 313-317
Space group: P 21 21 21
Cell volume: 2941.6
Cell parameters: 8.9716; 10.3943; 31.5444; 90; 90; 90;

COD ID: 2105123
CIF file Original IUCr paper	Formula: - C22 H29 N O2 - Comments: Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Relation between photochromic properties and molecular structures in salicylideneaniline crystals Acta Crystallographica Section B 68(3) (2012) 297-304 Space group: P -1 Cell volume: 2018.6 Cell parameters: 10.814; 12.011; 15.727; 89.25; 81.21; 89.97;

COD ID: 2105124
CIF file Original IUCr paper	Formula: - C21 H26 Br N O - Comments: Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Relation between photochromic properties and molecular structures in salicylideneaniline crystals Acta Crystallographica Section B 68(3) (2012) 297-304 Space group: P -1 Cell volume: 2003.2 Cell parameters: 10.7505; 11.5008; 16.3284; 87.959; 83.166; 89.536;

COD ID: 2105125
CIF file Original IUCr paper	Formula: - C21 H26 Cl N O - Comments: Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Relation between photochromic properties and molecular structures in salicylideneaniline crystals Acta Crystallographica Section B 68(3) (2012) 297-304 Space group: P -1 Cell volume: 1979.8 Cell parameters: 10.7392; 11.5369; 16.1292; 88.032; 82.446; 89.642;

COD ID: 2105126
CIF file Original IUCr paper	Formula: - C21.05 H26.14 Br N O - Comments: Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Relation between photochromic properties and molecular structures in salicylideneaniline crystals Acta Crystallographica Section B 68(3) (2012) 297-304 Space group: P 1 21/c 1 Cell volume: 1986.4 Cell parameters: 18.0699; 10.5997; 10.3838; 90; 92.858; 90;

COD ID: 2105127
CIF file Original IUCr paper	Formula: - C21 H27 N O - Comments: Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Relation between photochromic properties and molecular structures in salicylideneaniline crystals Acta Crystallographica Section B 68(3) (2012) 297-304 Space group: P n a 21 Cell volume: 1861.59 Cell parameters: 12.4043; 8.9918; 16.6903; 90; 90; 90;

COD ID: 2105128
CIF file Original IUCr paper	Formula: - C22 H27 N O3 - Comments: Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Relation between photochromic properties and molecular structures in salicylideneaniline crystals Acta Crystallographica Section B 68(3) (2012) 297-304 Space group: P 1 21/c 1 Cell volume: 1937.7 Cell parameters: 6.1482; 19.5491; 17.0976; 90; 109.453; 90;

COD ID: 2105129
CIF file Original IUCr paper	Formula: - C13 H10 Cl N O - Comments: Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Relation between photochromic properties and molecular structures in salicylideneaniline crystals Acta Crystallographica Section B 68(3) (2012) 297-304 Space group: P 1 21/c 1 Cell volume: 1094.92 Cell parameters: 4.6868; 18.9497; 12.8231; 90; 105.968; 90;

COD ID: 2105130
CIF file Original IUCr paper	Formula: - C17.12 H19.35 N O - Comments: Johmoto, Kohei; Ishida, Takashi; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji Relation between photochromic properties and molecular structures in salicylideneaniline crystals Acta Crystallographica Section B 68(3) (2012) 297-304 Space group: P 1 21/c 1 Cell volume: 1482.2 Cell parameters: 14.3711; 6.4227; 17.9938; 90; 116.819; 90;

COD ID: 2105131

Formula: - C Cu2 O5 -
Comments: Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect Acta Crystallographica Section B 68(3) (2012) 266-274
Space group: P 1 21/a 1
Cell volume: 363.107
Cell parameters: 9.473; 11.977; 3.2377; 90; 98.71; 90;

COD ID: 2105132

Formula: - C Cu2 O5 -
Comments: Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect Acta Crystallographica Section B 68(3) (2012) 266-274
Space group: P 1 21/a 1
Cell volume: 355.681
Cell parameters: 9.3887; 11.968; 3.196; 90; 97.93; 90;

COD ID: 2105133

Formula: - C Cu2 O5 -
Comments: Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect Acta Crystallographica Section B 68(3) (2012) 266-274
Space group: P 1 21/a 1
Cell volume: 349.853
Cell parameters: 9.3174; 11.9774; 3.1597; 90; 97.1782; 90;

COD ID: 2105134

Formula: - C Cu2 O5 -
Comments: Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect Acta Crystallographica Section B 68(3) (2012) 266-274
Space group: P 1 21/a 1
Cell volume: 343.497
Cell parameters: 9.2363; 11.9873; 3.1205; 90; 96.1667; 90;

COD ID: 2105135

Formula: - C Cu2 O5 -
Comments: Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect Acta Crystallographica Section B 68(3) (2012) 266-274
Space group: P 1 21/a 1
Cell volume: 339.326
Cell parameters: 9.1834; 12.0234; 3.0886; 90; 95.7294; 90;

COD ID: 2105136

Formula: - C Cu2 O5 -
Comments: Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect Acta Crystallographica Section B 68(3) (2012) 266-274
Space group: P 1 21/a 1
Cell volume: 334.583
Cell parameters: 9.1142; 12.0534; 3.0574; 90; 95.0321; 90;

COD ID: 2105137

Formula: - C Cu2 O5 -
Comments: Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect Acta Crystallographica Section B 68(3) (2012) 266-274
Space group: P 1 21/a 1
Cell volume: 328.369
Cell parameters: 12.699; 9.039; 2.9943; 90; 107.18; 90;

COD ID: 2105138

Formula: - C Cu2 O5 -
Comments: Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect Acta Crystallographica Section B 68(3) (2012) 266-274
Space group: P 1 21/a 1
Cell volume: 325.492
Cell parameters: 12.6665; 9.0153; 2.9827; 90; 107.13; 90;

COD ID: 2105139

Formula: - C Cu2 O5 -
Comments: Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect Acta Crystallographica Section B 68(3) (2012) 266-274
Space group: P 1 21/a 1
Cell volume: 322.33
Cell parameters: 12.6235; 8.9926; 2.9704; 90; 107.076; 90;

COD ID: 2105140

Formula: - C Cu2 O5 -
Comments: Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect Acta Crystallographica Section B 68(3) (2012) 266-274
Space group: P 1 21/a 1
Cell volume: 318.905
Cell parameters: 12.582; 8.965; 2.9572; 90; 107.05; 90;

COD ID: 2105141

Formula: - C Cu2 O5 -
Comments: Merlini, Marco; Perchiazzi, Natale; Hanfland, Michael; Bossak, Alexei Phase transition at high pressure in Cu~2~CO~3~(OH)~2~ related to the reduction of the Jahn‒Teller effect Acta Crystallographica Section B 68(3) (2012) 266-274
Space group: P 1 21/a 1
Cell volume: 343.119
Cell parameters: 9.2295; 12.0064; 3.1155; 90; 96.3516; 90;

COD ID: 2105142
CIF file Original IUCr paper	Formula: - C22 H26 Ag N3 O2 - Comments: Liu, Jianguo; Zeng, Xiaoyan; Li, Hua Synthesis, structure and spectroscopic properties of a novel compound <i>bis</i>(benzylamino)silver(I) benzylcarbamate Acta Crystallographica Section B 68(4) (2012) 401-406 Space group: P -1 Cell volume: 1036.37 Cell parameters: 5.2006; 14.6298; 14.7246; 68.729; 83.507; 85.412;

COD ID: 2105143
CIF file Original IUCr paper	Formula: - C3 H7 N O2 - Comments: Tumanov, Nikolay A.; Boldyreva, Elena V. X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions Acta Crystallographica Section B 68(4) (2012) 412-423 Space group: P n a 21 Cell volume: 421.14 Cell parameters: 11.994; 6.0103; 5.8421; 90; 90; 90;

COD ID: 2105144
CIF file Original IUCr paper	Formula: - C3 H7 N O2 - Comments: Tumanov, Nikolay A.; Boldyreva, Elena V. X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions Acta Crystallographica Section B 68(4) (2012) 412-423 Space group: P n a 21 Cell volume: 413.77 Cell parameters: 11.938; 5.9485; 5.8266; 90; 90; 90;

COD ID: 2105145
CIF file Original IUCr paper	Formula: - C3 H7 N O2 - Comments: Tumanov, Nikolay A.; Boldyreva, Elena V. X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions Acta Crystallographica Section B 68(4) (2012) 412-423 Space group: P n a 21 Cell volume: 404.01 Cell parameters: 11.852; 5.8715; 5.8057; 90; 90; 90;

COD ID: 2105146
CIF file Original IUCr paper	Formula: - C3 H7 N O2 - Comments: Tumanov, Nikolay A.; Boldyreva, Elena V. X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions Acta Crystallographica Section B 68(4) (2012) 412-423 Space group: P n a 21 Cell volume: 395.67 Cell parameters: 11.7991; 5.7917; 5.79; 90; 90; 90;

COD ID: 2105147
CIF file Original IUCr paper	Formula: - C3 H7 N O2 - Comments: Tumanov, Nikolay A.; Boldyreva, Elena V. X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions Acta Crystallographica Section B 68(4) (2012) 412-423 Space group: P n a 21 Cell volume: 390.9 Cell parameters: 11.77; 5.751; 5.7748; 90; 90; 90;

COD ID: 2105148
CIF file Original IUCr paper	Formula: - C3 H7 N O2 - Comments: Tumanov, Nikolay A.; Boldyreva, Elena V. X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions Acta Crystallographica Section B 68(4) (2012) 412-423 Space group: P n a 21 Cell volume: 381.79 Cell parameters: 11.677; 5.705; 5.7311; 90; 90; 90;

COD ID: 2105149
CIF file Original IUCr paper	Formula: - C3 H7 N O2 - Comments: Tumanov, Nikolay A.; Boldyreva, Elena V. X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions Acta Crystallographica Section B 68(4) (2012) 412-423 Space group: P n a 21 Cell volume: 378.8 Cell parameters: 11.6535; 5.681; 5.7217; 90; 90; 90;

COD ID: 2105150
CIF file Original IUCr paper	Formula: - C3 H7 N O2 - Comments: Tumanov, Nikolay A.; Boldyreva, Elena V. X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions Acta Crystallographica Section B 68(4) (2012) 412-423 Space group: P n a 21 Cell volume: 372.6 Cell parameters: 11.617; 5.611; 5.7156; 90; 90; 90;

COD ID: 2105151
CIF file Original IUCr paper	Formula: - C3 H7 N O2 - Comments: Tumanov, Nikolay A.; Boldyreva, Elena V. X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions Acta Crystallographica Section B 68(4) (2012) 412-423 Space group: P n a 21 Cell volume: 370.3 Cell parameters: 11.5877; 5.617; 5.6894; 90; 90; 90;

COD ID: 2105152
CIF file Original IUCr paper	Formula: - C3 H7 N O2 - Comments: Tumanov, Nikolay A.; Boldyreva, Elena V. X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions Acta Crystallographica Section B 68(4) (2012) 412-423 Space group: P n a 21 Cell volume: 365.3 Cell parameters: 11.572; 5.567; 5.671; 90; 90; 90;

COD ID: 2105153
CIF file Original IUCr paper	Formula: - C3 H7 N O2 - Comments: Tumanov, Nikolay A.; Boldyreva, Elena V. X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions Acta Crystallographica Section B 68(4) (2012) 412-423 Space group: P n a 21 Cell volume: 361.8 Cell parameters: 11.537; 5.554; 5.6456; 90; 90; 90;

COD ID: 2105154
CIF file Original IUCr paper	Formula: - C3 H7 N O2 - Comments: Tumanov, Nikolay A.; Boldyreva, Elena V. X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions Acta Crystallographica Section B 68(4) (2012) 412-423 Space group: P n a 21 Cell volume: 357.2 Cell parameters: 11.4915; 5.5249; 5.6262; 90; 90; 90;

COD ID: 2105155
CIF file Original IUCr paper	Formula: - C3 H7 N O2 - Comments: Tumanov, Nikolay A.; Boldyreva, Elena V. X-ray diffraction and Raman study of <small>DL</small>-alanine at high pressure: revision of phase transitions Acta Crystallographica Section B 68(4) (2012) 412-423 Space group: P n a 21 Cell volume: 354.1 Cell parameters: 11.452; 5.516; 5.606; 90; 90; 90;

COD ID: 2105156
CIF file Original IUCr paper	Formula: - C8 H9 F N6 O - Comments: Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 431-443 Space group: P -1 Cell volume: 489.76 Cell parameters: 6.2414; 7.2335; 11.546; 105.371; 101.944; 91.7;

COD ID: 2105157
CIF file Original IUCr paper	Formula: - C6 H9 N3 O2 - Comments: Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 431-443 Space group: P 1 21/n 1 Cell volume: 736.8 Cell parameters: 7.9835; 10.0664; 9.838; 90; 111.266; 90;

COD ID: 2105158
CIF file Original IUCr paper	Formula: - C14 H17 F2 N9 O4 - Comments: Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 431-443 Space group: P -1 Cell volume: 896.4 Cell parameters: 7.6548; 9.3233; 12.848; 83.406; 83.529; 81.42;

COD ID: 2105159
CIF file Original IUCr paper	Formula: - C8 H9 F N6 O3 - Comments: Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 431-443 Space group: C 1 2/c 1 Cell volume: 2063.4 Cell parameters: 15.5508; 11.7839; 11.4971; 90; 101.66; 90;

COD ID: 2105160
CIF file Original IUCr paper	Formula: - C8 H12 F N7 O3 - Comments: Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 431-443 Space group: P -1 Cell volume: 570.83 Cell parameters: 8.328; 9.3484; 9.4779; 61.797; 64.5; 67.138;

COD ID: 2105161
CIF file Original IUCr paper	Formula: - C11 H17 F N8 O3 - Comments: Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 431-443 Space group: P -1 Cell volume: 749.7 Cell parameters: 9.0866; 9.3632; 9.4019; 104.72; 94.34; 102.01;

COD ID: 2105162
CIF file Original IUCr paper	Formula: - C19 H27 F2 N15 O5 - Comments: Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 431-443 Space group: P -1 Cell volume: 662.2 Cell parameters: 7.1894; 10.0991; 10.9953; 104.97; 105.33; 110.85;

COD ID: 2105163
CIF file Original IUCr paper	Formula: - C15 H21 F2 N11 O4 - Comments: Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 431-443 Space group: P -1 Cell volume: 3036.1 Cell parameters: 11.2283; 15.1837; 18.829; 71.262; 87.187; 88.46;

COD ID: 2105164
CIF file Original IUCr paper	Formula: - C8 H11 N5 O3 - Comments: Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 431-443 Space group: P 1 21/c 1 Cell volume: 923.3 Cell parameters: 10.9182; 11.1666; 7.9786; 90; 108.346; 90;

COD ID: 2105165
CIF file Original IUCr paper	Formula: - C12 H15 F N8 O4 - Comments: Tutughamiarso, Maya; Wagner, Guido; Egert, Ernst Cocrystals of 5-fluorocytosine. I. Coformers with fixed hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 431-443 Space group: P 1 21/c 1 Cell volume: 1450.73 Cell parameters: 7.0859; 9.0414; 22.8754; 90; 98.155; 90;

COD ID: 2105166
CIF file Original IUCr paper	Formula: - C8 H15 F N6 O4 S - Comments: Tutughamiarso, Maya; Egert, Ernst Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 444-452 Space group: P -1 Cell volume: 695.8 Cell parameters: 8.4065; 8.9045; 10.6441; 111.163; 96.337; 105.703;

COD ID: 2105167
CIF file Original IUCr paper	Formula: - C6 H7 N3 O3 - Comments: Tutughamiarso, Maya; Egert, Ernst Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 444-452 Space group: P 1 21/c 1 Cell volume: 718.93 Cell parameters: 11.4303; 7.1695; 8.9753; 90; 102.194; 90;

COD ID: 2105168
CIF file Original IUCr paper	Formula: - C12 H17 F N6 O5 S - Comments: Tutughamiarso, Maya; Egert, Ernst Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 444-452 Space group: P 1 21/c 1 Cell volume: 1616.4 Cell parameters: 9.4478; 23.7171; 7.2635; 90; 96.7; 90;

COD ID: 2105169
CIF file Original IUCr paper	Formula: - C9 H11 F N6 O2 - Comments: Tutughamiarso, Maya; Egert, Ernst Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 444-452 Space group: P -1 Cell volume: 558.47 Cell parameters: 4.5285; 10.1491; 12.626; 75.967; 89.785; 82.918;

COD ID: 2105170
CIF file Original IUCr paper	Formula: - C9 H13 F N6 O3 - Comments: Tutughamiarso, Maya; Egert, Ernst Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 444-452 Space group: P -1 Cell volume: 587.63 Cell parameters: 5.1193; 9.3392; 12.4862; 97.103; 93.662; 95.766;

COD ID: 2105171
CIF file Original IUCr paper	Formula: - C17 H31 N9 O4 - Comments: Tutughamiarso, Maya; Egert, Ernst Cocrystals of 5-fluorocytosine. II. Coformers with variable hydrogen-bonding sites Acta Crystallographica Section B 68(4) (2012) 444-452 Space group: P -1 Cell volume: 1088.1 Cell parameters: 6.9824; 9.1224; 17.651; 88.329; 89.875; 75.513;

COD ID: 2105172

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: B 1 21 1
Cell volume: 11412.5
Cell parameters: 27.4626; 12.1845; 40.2287; 90; 122.026; 90;

COD ID: 2105173

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2298.11
Cell parameters: 12.1642; 12.183; 16.0891; 90; 105.457; 90;

COD ID: 2105174

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P -1
Cell volume: 2277.29
Cell parameters: 12.1419; 12.1359; 16.0351; 90.063; 105.463; 90.036;

COD ID: 2105175

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P -1
Cell volume: 2280.58
Cell parameters: 12.146; 12.1435; 16.0428; 90.056; 105.463; 90.041;

COD ID: 2105176

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P -1
Cell volume: 2284.22
Cell parameters: 12.1497; 12.1522; 16.0517; 90.05; 105.459; 90.028;

COD ID: 2105177

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P -1
Cell volume: 2288.18
Cell parameters: 12.1535; 12.1624; 16.0614; 90.036; 105.464; 90.026;

COD ID: 2105178

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P -1
Cell volume: 2291.69
Cell parameters: 12.1559; 12.1708; 16.0713; 90.025; 105.458; 90.007;

COD ID: 2105179

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P -1
Cell volume: 2295.49
Cell parameters: 12.1585; 12.1793; 16.0832; 90.008; 105.457; 89.99;

COD ID: 2105180

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2299.51
Cell parameters: 12.1621; 12.189; 16.0933; 90; 105.451; 90;

COD ID: 2105181

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2303.24
Cell parameters: 12.1663; 12.1968; 16.1044; 90; 105.462; 90;

COD ID: 2105182

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2307.24
Cell parameters: 12.1688; 12.2058; 16.1152; 90; 105.437; 90;

COD ID: 2105183

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2311.34
Cell parameters: 12.169; 12.2143; 16.1331; 90; 105.447; 90;

COD ID: 2105184

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2315.65
Cell parameters: 12.1714; 12.2246; 16.1457; 90; 105.438; 90;

COD ID: 2105185

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2320.14
Cell parameters: 12.1721; 12.2362; 16.1601; 90; 105.43; 90;

COD ID: 2105186

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2325.13
Cell parameters: 12.1709; 12.2501; 16.1777; 90; 105.425; 90;

COD ID: 2105187

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2330.93
Cell parameters: 12.166; 12.2684; 16.2006; 90; 105.428; 90;

COD ID: 2105188

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/m 1
Cell volume: 1175.32
Cell parameters: 12.1244; 12.3469; 8.1483; 90; 105.518; 90;

COD ID: 2105189

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/m 1
Cell volume: 1177.03
Cell parameters: 12.1288; 12.3503; 8.1537; 90; 105.487; 90;

COD ID: 2105190

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/m 1
Cell volume: 1182.94
Cell parameters: 12.1431; 12.3715; 8.1677; 90; 105.405; 90;

COD ID: 2105191

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/m 1
Cell volume: 1187.74
Cell parameters: 12.1511; 12.388; 8.1827; 90; 105.358; 90;

COD ID: 2105192

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2324.08
Cell parameters: 12.1755; 12.2435; 16.1725; 90; 105.418; 90;

COD ID: 2105193

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2326.75
Cell parameters: 12.1737; 12.2516; 16.1824; 90; 105.414; 90;

COD ID: 2105194

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2328.53
Cell parameters: 12.1722; 12.2573; 16.1891; 90; 105.412; 90;

COD ID: 2105195

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2330.49
Cell parameters: 12.1701; 12.264; 16.1967; 90; 105.412; 90;

COD ID: 2105196

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2332.2
Cell parameters: 12.1682; 12.2695; 16.2038; 90; 105.412; 90;

COD ID: 2105197

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2334.27
Cell parameters: 12.1643; 12.2777; 16.2129; 90; 105.416; 90;

COD ID: 2105198

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/c 1
Cell volume: 2337.03
Cell parameters: 12.1589; 12.2883; 16.2261; 90; 105.427; 90;

COD ID: 2105199

Formula: - C14 H30 N4 Ni O13 -
Comments: Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase Acta Crystallographica Section B 68(4) (2012) 389-400
Space group: P 1 21/m 1
Cell volume: 1174.56
Cell parameters: 12.1311; 12.3391; 8.1432; 90; 105.506; 90;

COD ID: 2105200
CIF file Original IUCr paper	Formula: - Al K O2 - Comments: Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. The natural tiling approach to cation conductivity in KAlO~2~ polymorphs Acta Crystallographica Section B 68(4) (2012) 356-363 Space group: P b c a Cell volume: 918.26 Cell parameters: 5.43867; 10.9236; 15.4564; 90; 90; 90;

COD ID: 2105201
CIF file Original IUCr paper	Formula: - Al K O2 - Comments: Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. The natural tiling approach to cation conductivity in KAlO~2~ polymorphs Acta Crystallographica Section B 68(4) (2012) 356-363 Space group: P b c a Cell volume: 921.64 Cell parameters: 5.4457; 10.9401; 15.4698; 90; 90; 90;

COD ID: 2105202
CIF file Original IUCr paper	Formula: - Al K O2 - Comments: Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. The natural tiling approach to cation conductivity in KAlO~2~ polymorphs Acta Crystallographica Section B 68(4) (2012) 356-363 Space group: P b c a Cell volume: 926.37 Cell parameters: 5.456; 10.9617; 15.4893; 90; 90; 90;

COD ID: 2105203
CIF file Original IUCr paper	Formula: - Al K O2 - Comments: Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. The natural tiling approach to cation conductivity in KAlO~2~ polymorphs Acta Crystallographica Section B 68(4) (2012) 356-363 Space group: P b c a Cell volume: 931.54 Cell parameters: 5.4668; 10.9862; 15.5103; 90; 90; 90;

COD ID: 2105204
CIF file Original IUCr paper	Formula: - Al K O2 - Comments: Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. The natural tiling approach to cation conductivity in KAlO~2~ polymorphs Acta Crystallographica Section B 68(4) (2012) 356-363 Space group: P b c a Cell volume: 937.35 Cell parameters: 5.4788; 11.0123; 15.5359; 90; 90; 90;

COD ID: 2105205
CIF file Original IUCr paper	Formula: - Al K O2 - Comments: Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. The natural tiling approach to cation conductivity in KAlO~2~ polymorphs Acta Crystallographica Section B 68(4) (2012) 356-363 Space group: P b c a Cell volume: 942.41 Cell parameters: 5.4888; 11.0346; 15.5598; 90; 90; 90;

COD ID: 2105206
CIF file Original IUCr paper	Formula: - Al K O2 - Comments: Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. The natural tiling approach to cation conductivity in KAlO~2~ polymorphs Acta Crystallographica Section B 68(4) (2012) 356-363 Space group: F d -3 m :2 Cell volume: 475.15 Cell parameters: 7.8033; 7.8033; 7.8033; 90; 90; 90;

COD ID: 2105207
CIF file Original IUCr paper	Formula: - Al K O2 - Comments: Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. The natural tiling approach to cation conductivity in KAlO~2~ polymorphs Acta Crystallographica Section B 68(4) (2012) 356-363 Space group: F d -3 m :2 Cell volume: 477.83 Cell parameters: 7.8179; 7.8179; 7.8179; 90; 90; 90;

COD ID: 2105208
CIF file Original IUCr paper	Formula: - Al K O2 - Comments: Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A. The natural tiling approach to cation conductivity in KAlO~2~ polymorphs Acta Crystallographica Section B 68(4) (2012) 356-363 Space group: F d -3 m :2 Cell volume: 480.58 Cell parameters: 7.8329; 7.8329; 7.8329; 90; 90; 90;

COD ID: 2105209

Formula: - C5 H12 O5 -
Comments: Derollez, Patrick; Guinet, Yannick; Affouard, Frédéric; Danède, Florence; Carpentier, Laurent; Hédoux, Alain Structure determination of L-arabinitol by powder X-ray diffraction Acta Crystallographica Section B 68(4) (2012) 407-411
Space group: P 1
Cell volume: 339.478
Cell parameters: 7.67982; 9.717; 4.82857; 96.0388; 106.806; 96.094;

COD ID: 2105210
CIF file Original IUCr paper	Formula: - C8 H12 Br N O - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P b c n Cell volume: 1828.3 Cell parameters: 20.143; 10.9691; 8.2747; 90; 90; 90;

COD ID: 2105211
CIF file Original IUCr paper	Formula: - C8 H12 I N O - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 21 21 21 Cell volume: 929.37 Cell parameters: 5.1194; 9.0278; 20.1089; 90; 90; 90;

COD ID: 2105212
CIF file Original IUCr paper	Formula: - C8 H14 B F4 N O2 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P b c a Cell volume: 2135 Cell parameters: 11.9981; 7.2291; 24.6145; 90; 90; 90;

COD ID: 2105213
CIF file Original IUCr paper	Formula: - C8 H14 Cl N O6 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 2170.18 Cell parameters: 7.3939; 25.1222; 11.6847; 90; 90.896; 90;

COD ID: 2105214
CIF file Original IUCr paper	Formula: - C8 H18 N O7 P - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P b c a Cell volume: 2650.9 Cell parameters: 11.0446; 8.0666; 29.755; 90; 90; 90;

COD ID: 2105215
CIF file Original IUCr paper	Formula: - C9 H15 N O4 S - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 21 21 21 Cell volume: 1099.38 Cell parameters: 5.0262; 10.0739; 21.7126; 90; 90; 90;

COD ID: 2105216
CIF file Original IUCr paper	Formula: - C10 H17 N O4 S - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 2340.35 Cell parameters: 10.4454; 20.6788; 10.8374; 90; 91.198; 90;

COD ID: 2105217
CIF file Original IUCr paper	Formula: - C18 H28 N2 O8 S2 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P b c a Cell volume: 2080.7 Cell parameters: 9.5614; 9.5543; 22.7766; 90; 90; 90;

COD ID: 2105218
CIF file Original IUCr paper	Formula: - C14 H19 N O5 S - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 21 21 21 Cell volume: 1506.03 Cell parameters: 7.7244; 11.1889; 17.4253; 90; 90; 90;

COD ID: 2105219
CIF file Original IUCr paper	Formula: - C14 H18 N O5.5 S - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 21 21 21 Cell volume: 2911.4 Cell parameters: 7.6261; 34.974; 10.9159; 90; 90; 90;

COD ID: 2105220
CIF file Original IUCr paper	Formula: - C15 H17 N O3 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21 1 Cell volume: 1355.06 Cell parameters: 10.8685; 12.0279; 11.0849; 90; 110.752; 90;

COD ID: 2105221
CIF file Original IUCr paper	Formula: - C15 H18 N2 O3 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 1368.84 Cell parameters: 10.8086; 7.7675; 16.3408; 90; 93.829; 90;

COD ID: 2105222
CIF file Original IUCr paper	Formula: - C15 H16 F N O3 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21 1 Cell volume: 1373.77 Cell parameters: 10.9819; 12.2053; 10.9963; 90; 111.243; 90;

COD ID: 2105223
CIF file Original IUCr paper	Formula: - C15 H16 Cl N O3 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 1456.5 Cell parameters: 11.2539; 12.4279; 11.6172; 90; 116.306; 90;

COD ID: 2105224
CIF file Original IUCr paper	Formula: - C16 H19 N O3 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 1456.06 Cell parameters: 11.4527; 12.2496; 11.6217; 90; 116.74; 90;

COD ID: 2105225
CIF file Original IUCr paper	Formula: - C15 H16 N2 O5 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: C 1 2/c 1 Cell volume: 6243.8 Cell parameters: 47.614; 5.1616; 25.552; 90; 96.136; 90;

COD ID: 2105226
CIF file Original IUCr paper	Formula: - C15 H16 F N O3 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 1361.1 Cell parameters: 11.4897; 11.4386; 10.8605; 90; 107.525; 90;

COD ID: 2105227
CIF file Original IUCr paper	Formula: - C15 H16 Cl N O3 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: C 1 2/c 1 Cell volume: 2846 Cell parameters: 24.856; 8.1013; 19.464; 90; 133.43; 90;

COD ID: 2105228
CIF file Original IUCr paper	Formula: - C15 H17 N O4 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P -1 Cell volume: 658.96 Cell parameters: 8.1593; 8.7185; 10.6386; 85.706; 76.2; 63.787;

COD ID: 2105229
CIF file Original IUCr paper	Formula: - C16 H19 N O3 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 2971.05 Cell parameters: 12.8638; 18.4891; 12.5939; 90; 97.301; 90;

COD ID: 2105230
CIF file Original IUCr paper	Formula: - C15 H16 N2 O5 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 1467.89 Cell parameters: 10.4944; 11.592; 12.0885; 90; 93.465; 90;

COD ID: 2105231
CIF file Original IUCr paper	Formula: - C15 H18 N2 O3 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 1353.8 Cell parameters: 11.5082; 11.2844; 10.9033; 90; 107.037; 90;

COD ID: 2105232
CIF file Original IUCr paper	Formula: - C15 H16 F N O3 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 1376.3 Cell parameters: 11.9993; 11.3322; 10.7542; 90; 109.754; 90;

COD ID: 2105233
CIF file Original IUCr paper	Formula: - C15 H16 Cl N O3 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P -1 Cell volume: 5770.8 Cell parameters: 15.8566; 17.5993; 22.0881; 105.676; 96.763; 99.335;

COD ID: 2105234
CIF file Original IUCr paper	Formula: - C15 H17 N O4 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P -1 Cell volume: 2725.7 Cell parameters: 9.9745; 15.1624; 18.6406; 76.3; 86.48; 84.892;

COD ID: 2105235
CIF file Original IUCr paper	Formula: - C16 H19 N O3 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 1392.33 Cell parameters: 11.4797; 11.3596; 11.0501; 90; 104.932; 90;

COD ID: 2105236
CIF file Original IUCr paper	Formula: - C15 H16 N2 O5 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 2960.6 Cell parameters: 7.0796; 6.1784; 67.751; 90; 92.518; 90;

COD ID: 2105237
CIF file Original IUCr paper	Formula: - C12 H15 N O5 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 1190.34 Cell parameters: 7.6924; 5.6856; 27.9377; 90; 103.047; 90;

COD ID: 2105238
CIF file Original IUCr paper	Formula: - C11 H15 N O5 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 1139.3 Cell parameters: 13.3025; 7.8609; 11.3441; 90; 106.174; 90;

COD ID: 2105239
CIF file Original IUCr paper	Formula: - C24 H34 N2 O12 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P -1 Cell volume: 663.9 Cell parameters: 8.8784; 8.9774; 9.4687; 116.911; 97.833; 91.099;

COD ID: 2105240
CIF file Original IUCr paper	Formula: - C20 H32 N2 O8 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 1069.94 Cell parameters: 11.4936; 7.5497; 12.5154; 90; 99.865; 90;

COD ID: 2105241
CIF file Original IUCr paper	Formula: - C22 H36 N2 O8 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/n 1 Cell volume: 1144.9 Cell parameters: 8.6247; 15.1897; 8.7588; 90; 93.826; 90;

COD ID: 2105242
CIF file Original IUCr paper	Formula: - C28 H43 N2 O10.5 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21/c 1 Cell volume: 2977.5 Cell parameters: 21.1097; 5.9615; 24.6027; 90; 105.911; 90;

COD ID: 2105243
CIF file Original IUCr paper	Formula: - C20 H32 N2 O9 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21 1 Cell volume: 1090.78 Cell parameters: 11.8909; 7.7956; 11.9547; 90; 100.16; 90;

COD ID: 2105244
CIF file Original IUCr paper	Formula: - C12 H19 N O7 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P n a 21 Cell volume: 1440.07 Cell parameters: 7.636; 30.0364; 6.2787; 90; 90; 90;

COD ID: 2105245
CIF file Original IUCr paper	Formula: - C20 H32 N2 O10 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21 1 Cell volume: 1100.81 Cell parameters: 11.6895; 7.7596; 12.3238; 90; 100.013; 90;

COD ID: 2105246
CIF file Original IUCr paper	Formula: - C12 H19 N O8 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P -1 Cell volume: 696.89 Cell parameters: 7.2647; 7.9475; 12.5853; 77.231; 85.33; 79.854;

COD ID: 2105247
CIF file Original IUCr paper	Formula: - C16 H19 N O4 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P 1 21 1 Cell volume: 719.49 Cell parameters: 8.911; 8.3625; 9.6575; 90; 91.246; 90;

COD ID: 2105248
CIF file Original IUCr paper	Formula: - C16 H19 N O4 - Comments: Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A. 42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation Acta Crystallographica Section B 68(4) (2012) 453-464 Space group: P -1 Cell volume: 779.05 Cell parameters: 6.4446; 10.1143; 12.2128; 91.239; 99.455; 96.794;

COD ID: 2105249

Formula: - Ag1.86 As7.06 Bi0.1 Cu1.73 Hg0.24 Pb19.13 S56 Sb16.47 Tl0.24 -
Comments: Moëlo, Yves; Guillot-Deudon, Catherine; Evain, Michel; Orlandi, Paolo; Biagioni, Cristian Comparative modular analysis of two complex sulfosalt structures: sterryite, Cu(Ag,Cu)~3~Pb~19~(Sb,As)~22~(As–As)S~56~, and parasterryite, Ag~4~Pb~20~(Sb,As)~24~S~58~ Acta Crystallographica Section B 68(5) (2012) 480-492
Space group: P 1 21/n 1
Cell volume: 10005
Cell parameters: 8.1891; 28.5294; 42.98; 90; 94.896; 90;

COD ID: 2105250

Formula: - Ag4 As10.23 Pb20.21 S58 Sb13.56 -
Comments: Moëlo, Yves; Guillot-Deudon, Catherine; Evain, Michel; Orlandi, Paolo; Biagioni, Cristian Comparative modular analysis of two complex sulfosalt structures: sterryite, Cu(Ag,Cu)~3~Pb~19~(Sb,As)~22~(As–As)S~56~, and parasterryite, Ag~4~Pb~20~(Sb,As)~24~S~58~ Acta Crystallographica Section B 68(5) (2012) 480-492
Space group: P 1 21/c 1
Cell volume: 10300
Cell parameters: 8.3965; 27.954; 43.884; 90; 90.061; 90;

COD ID: 2105251

Formula: - C0.4 Al Ca2 O9.2 -
Comments: Runčevski, Tomče; Dinnebier, Robert E.; Magdysyuk, Oxana V.; Pöllmann, Herbert Crystal structures of calcium hemicarboaluminate and carbonated calcium hemicarboaluminate from synchrotron powder diffraction data Acta Crystallographica Section B 68(5) (2012) 493-500
Space group: R -3 c :H
Cell volume: 1329.83
Cell parameters: 5.7534; 5.7534; 46.389; 90; 90; 120;

COD ID: 2105252

Formula: - C0.25 Al Ca2 O9.25 -
Comments: Runčevski, Tomče; Dinnebier, Robert E.; Magdysyuk, Oxana V.; Pöllmann, Herbert Crystal structures of calcium hemicarboaluminate and carbonated calcium hemicarboaluminate from synchrotron powder diffraction data Acta Crystallographica Section B 68(5) (2012) 493-500
Space group: R -3 c :H
Cell volume: 1410.15
Cell parameters: 5.7757; 5.7757; 48.812; 90; 90; 120;

COD ID: 2105253

Formula: - C21 H25.5 Gd N4.5 O12 -
Comments: Davies, Kate; Bourne, Susan A.; Öhrström, Lars; Oliver, Clive L. Topological studies of three related metal-organic frameworks of Gd^III^ and 5-nitroisophthalate Acta Crystallographica Section B 68(5) (2012) 528-535
Space group: C 1 2/c 1
Cell volume: 5152.2
Cell parameters: 21.622; 16.8; 16.317; 90; 119.628; 90;

COD ID: 2105254

Formula: - C36 H42.35 Gd2 N7 O24.67 -
Comments: Davies, Kate; Bourne, Susan A.; Öhrström, Lars; Oliver, Clive L. Topological studies of three related metal-organic frameworks of Gd^III^ and 5-nitroisophthalate Acta Crystallographica Section B 68(5) (2012) 528-535
Space group: C 1 2/c 1
Cell volume: 10311.8
Cell parameters: 24.9427; 16.9411; 25.2889; 90; 105.208; 90;

COD ID: 2105255

Formula: - C76.5 H92.5 Gd4 N15.5 O49.5 -
Comments: Davies, Kate; Bourne, Susan A.; Öhrström, Lars; Oliver, Clive L. Topological studies of three related metal-organic frameworks of Gd^III^ and 5-nitroisophthalate Acta Crystallographica Section B 68(5) (2012) 528-535
Space group: P -1
Cell volume: 4979.1
Cell parameters: 14.3239; 15.3167; 25.468; 87.994; 85.151; 63.419;

COD ID: 2105256
CIF file Original IUCr paper	Formula: - C8 H8 N2 O2 - Comments: Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M. Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide Acta Crystallographica Section B 68(5) (2012) 536-542 Space group: P -1 Cell volume: 382.9 Cell parameters: 3.9506; 8.264; 12.045; 78.842; 83.18; 86.99;

COD ID: 2105257

Formula: - C8 H8 N2 O2 -
Comments: Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M. Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide Acta Crystallographica Section B 68(5) (2012) 536-542
Space group: P -1
Cell volume: 769.99
Cell parameters: 7.3643; 9.0332; 11.6675; 89.264; 83.419; 87.027;

COD ID: 2105258

Formula: - C8 H8 N2 O2 -
Comments: Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M. Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide Acta Crystallographica Section B 68(5) (2012) 536-542
Space group: P -1
Cell volume: 1154.6
Cell parameters: 9.007; 11.1331; 12.9526; 65.173; 80.629; 79.862;

COD ID: 2105259
CIF file Original IUCr paper	Formula: - C8 H8 N2 O2 - Comments: Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M. Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide Acta Crystallographica Section B 68(5) (2012) 536-542 Space group: P -1 Cell volume: 1923.8 Cell parameters: 9.0136; 13.064; 16.567; 95.055; 97.969; 90.742;

COD ID: 2105260

Formula: - C10 H8 O3 -
Comments: Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M. Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide Acta Crystallographica Section B 68(5) (2012) 536-542
Space group: P b c a
Cell volume: 1615.9
Cell parameters: 11.744; 7.601; 18.102; 90; 90; 90;

COD ID: 2105261

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 544.92
Cell parameters: 9.6452; 9.6452; 6.7636; 90; 90; 120;

COD ID: 2105262

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 544.77
Cell parameters: 9.6434; 9.6434; 6.7643; 90; 90; 120;

COD ID: 2105263

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 544.54
Cell parameters: 9.643; 9.643; 6.762; 90; 90; 120;

COD ID: 2105264

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 544.45
Cell parameters: 9.6414; 9.6414; 6.7631; 90; 90; 120;

COD ID: 2105265

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 542.73
Cell parameters: 9.6368; 9.6368; 6.7482; 90; 90; 120;

COD ID: 2105266

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 542.129
Cell parameters: 9.6341; 9.6341; 6.7445; 90; 90; 120;

COD ID: 2105267

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 542.08
Cell parameters: 9.634; 9.634; 6.744; 90; 90; 120;

COD ID: 2105268

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 542.031
Cell parameters: 9.6343; 9.6343; 6.743; 90; 90; 120;

COD ID: 2105269

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 1 21/c 1
Cell volume: 1088.97
Cell parameters: 9.641; 6.762; 19.285; 90; 119.984; 90;

COD ID: 2105270

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 1 21/c 1
Cell volume: 1089.51
Cell parameters: 9.643; 6.7641; 19.2882; 90; 120.003; 90;

COD ID: 2105271

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 1 21/c 1
Cell volume: 1089.67
Cell parameters: 9.6434; 6.7635; 19.2846; 90; 119.965; 90;

COD ID: 2105272

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 1 21/c 1
Cell volume: 1088.75
Cell parameters: 9.6397; 6.7657; 19.2731; 90; 119.984; 90;

COD ID: 2105273

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 1 21/c 1
Cell volume: 1085.22
Cell parameters: 9.637; 6.7479; 19.2702; 90; 120.002; 90;

COD ID: 2105274

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 1 21/c 1
Cell volume: 1083.44
Cell parameters: 9.6307; 6.7425; 19.2602; 90; 119.969; 90;

COD ID: 2105275

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 1 21/c 1
Cell volume: 1084.16
Cell parameters: 9.6344; 6.7442; 19.2656; 90; 119.994; 90;

COD ID: 2105276

Formula: - Ca5 Cl O12 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 1 21/c 1
Cell volume: 1083.44
Cell parameters: 9.6307; 6.7425; 19.2602; 90; 119.969; 90;

COD ID: 2105277

Formula: - Ca5 Cl0.54 H0.46 O12.46 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 535.7
Cell parameters: 9.5377; 9.5377; 6.7999; 90; 90; 120;

COD ID: 2105278

Formula: - Ca5 Cl0.54 H0.46 O12.46 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 537.78
Cell parameters: 9.5439; 9.5439; 6.8174; 90; 90; 120;

COD ID: 2105279

Formula: - Ca5 Cl0.44 H0.56 O12.56 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 530.97
Cell parameters: 9.4815; 9.4815; 6.82; 90; 90; 120;

COD ID: 2105280

Formula: - Ca5 Cl0.44 H0.56 O12.56 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 535.07
Cell parameters: 9.4894; 9.4894; 6.8612; 90; 90; 120;

COD ID: 2105281

Formula: - Ca5 Cl0.29 H0.71 O12.71 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 528.4
Cell parameters: 9.431; 9.431; 6.86; 90; 90; 120;

COD ID: 2105282

Formula: - Ca5 Cl0.28 H0.72 O12.71 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 529.32
Cell parameters: 9.4284; 9.4284; 6.8756; 90; 90; 120;

COD ID: 2105283

Formula: - Ca5 Cl0.18 H0.82 O12.82 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 527.1
Cell parameters: 9.4139; 9.4139; 6.8679; 90; 90; 120;

COD ID: 2105284

Formula: - Ca5 Cl0.18 H0.82 O12.82 P3 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 63/m
Cell volume: 529
Cell parameters: 9.423; 9.423; 6.8794; 90; 90; 120;

COD ID: 2105285

Formula: - Ca6 O16 P4 -
Comments: García-Tuñón, Esther; Dacuña, Bruno; Zaragoza, Guillermo; Franco, Jaime; Guitián, Francisco Cl‒OH ion-exchanging process in chlorapatite (Ca~5~(PO~4~)~3~Cl~x~(OH)~1{-~x}) ‒ a deep insight Acta Crystallographica Section B 68(5) (2012) 467-479
Space group: P 1 21/c 1
Cell volume: 1429.78
Cell parameters: 12.8348; 9.0961; 12.8365; 90; 107.434; 90;

COD ID: 2105286

Formula: - F28 K10 Nb6 O6 -
Comments: Udovenko, Anatoly A.; Laptash, Natalia M. Dinuclear oxofluorometallates as a new structural type of d^0^ transition metal oxofluoride compound Acta Crystallographica Section B 68(6) (2012) 602-609
Space group: P m n 21
Cell volume: 1803.89
Cell parameters: 20.1095; 7.8045; 11.4938; 90; 90; 90;

COD ID: 2105287
CIF file Original IUCr paper	Formula: - F28 H40 N10 Nb6 O6 - Comments: Udovenko, Anatoly A.; Laptash, Natalia M. Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound Acta Crystallographica Section B 68(6) (2012) 602-609 Space group: P -3 m 1 Cell volume: 2906.97 Cell parameters: 20.3757; 20.3757; 8.0851; 90; 90; 120;

COD ID: 2105288
CIF file Original IUCr paper	Formula: - Cl F83 Nb18 O18 Rb30 - Comments: Udovenko, Anatoly A.; Laptash, Natalia M. Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound Acta Crystallographica Section B 68(6) (2012) 602-609 Space group: P -3 m 1 Cell volume: 2960.77 Cell parameters: 20.4958; 20.4958; 8.1385; 90; 90; 120;

COD ID: 2105289
CIF file Original IUCr paper	Formula: - F22 Mo6 O12 Rb10 - Comments: Udovenko, Anatoly A.; Laptash, Natalia M. Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound Acta Crystallographica Section B 68(6) (2012) 602-609 Space group: P -3 m 1 Cell volume: 2876.72 Cell parameters: 20.2744; 20.2744; 8.0811; 90; 90; 120;

COD ID: 2105290
CIF file Original IUCr paper	Formula: - F22 O12 Rb10 W6 - Comments: Udovenko, Anatoly A.; Laptash, Natalia M. Dinuclear oxofluorometallates as a new structural type of <i>d</i>^0^ transition metal oxofluoride compound Acta Crystallographica Section B 68(6) (2012) 602-609 Space group: P -3 m 1 Cell volume: 2845.2 Cell parameters: 20.1457; 20.1457; 8.0951; 90; 90; 120;

COD ID: 2105291

Formula: - C14 H14 N2 Ni O11 -
Comments: Sanotra, Sumit; Gupta, Rimpy; Sheikh, Haq Nawaz; Kalsotra, Bansi Lal; Gupta, Vivek K.; Rajnikant Hydrothermal synthesis and crystal structure of novel bis(6-carboxypyridine-2-carboxylato-κ^3^O^2^,N,O^6^)nickel(II) trihydrate, Ni(Hpydc)~2~·3H~2~O Acta Crystallographica Section B 68(6) (2012) 619-624
Space group: P 1 21/c 1
Cell volume: 1714.04
Cell parameters: 13.6825; 10.0465; 13.777; 90; 115.166; 90;

COD ID: 2105292

Formula: - C5 H11 Cl2 Mn N O3 -
Comments: Lamberts, Kevin; Englert, Ulli Structures from MnX~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers Acta Crystallographica Section B 68(6) (2012) 610-618
Space group: P 21 21 21
Cell volume: 940.68
Cell parameters: 7.0862; 10.0235; 13.2437; 90; 90; 90;

COD ID: 2105293

Formula: - C7 H17 Br2 Mn N O4 -
Comments: Lamberts, Kevin; Englert, Ulli Structures from MnX~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers Acta Crystallographica Section B 68(6) (2012) 610-618
Space group: P 1 21 1
Cell volume: 641.7
Cell parameters: 8.286; 8.256; 9.387; 90; 92.172; 90;

COD ID: 2105294

Formula: - C5 H15 I2 Mn N O5 -
Comments: Lamberts, Kevin; Englert, Ulli Structures from MnX~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers Acta Crystallographica Section B 68(6) (2012) 610-618
Space group: P 21 21 21
Cell volume: 1323.8
Cell parameters: 8.1264; 11.867; 13.727; 90; 90; 90;

COD ID: 2105295

Formula: - C10 H22 Cl2 Mn N2 O6 -
Comments: Lamberts, Kevin; Englert, Ulli Structures from MnX~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers Acta Crystallographica Section B 68(6) (2012) 610-618
Space group: P 1 21/c 1
Cell volume: 785.3
Cell parameters: 9.124; 9.034; 10.001; 90; 107.704; 90;

COD ID: 2105296

Formula: - C10 H22 Br2 Mn N2 O6 -
Comments: Lamberts, Kevin; Englert, Ulli Structures from MnX~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers Acta Crystallographica Section B 68(6) (2012) 610-618
Space group: P 1 21/c 1
Cell volume: 818.76
Cell parameters: 9.3156; 9.1319; 10.0593; 90; 106.904; 90;

COD ID: 2105297

Formula: - C10 H22 I2 Mn N2 O6 -
Comments: Lamberts, Kevin; Englert, Ulli Structures from MnX~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers Acta Crystallographica Section B 68(6) (2012) 610-618
Space group: P 1 21/c 1
Cell volume: 881.91
Cell parameters: 9.664; 9.4026; 10.0228; 90; 104.454; 90;

COD ID: 2105298

Formula: - C16 H17 N O2 -
Comments: Bibila Mayaya Bisseyou, Yvon; Bouhmaida, Nouhza; Guillot, Benoit; Lecomte, Claude; Lugan, Noel; Ghermani, Noureddine; Jelsch, Christian Experimental and database-transferred electron-density analysis and evaluation of electrostatic forces in coumarin-102 dye Acta Crystallographica Section B 68(6) (2012) 646-660
Space group: P 1 21/n 1
Cell volume: 1238.21
Cell parameters: 8.5755; 10.1627; 14.2676; 90; 95.249; 90;

COD ID: 2105299
CIF file Original IUCr paper	Formula: - C2 H4 K O6 P - Comments: Mermer, Adrian; Starynowicz, Przemysław Charge-density distribution in potassium dihydrogen phosphoglycolate – a comparison of phosphate and phosphonate groups Acta Crystallographica Section B 68(6) (2012) 625-635 Space group: P 1 21 1 Cell volume: 302.5 Cell parameters: 7.842; 4.577; 8.56; 90; 100.04; 90;

COD ID: 2105300

Formula: - C48 H24.5 B2 N12 O1.25 -
Comments: Fulford, Mabel V.; Lough, Alan John; Bender, Timothy P. The first report of the crystal structure of non-solvated μ-oxo boron subphthalocyanine and the crystal structures of two solvated forms Acta Crystallographica Section B 68(6) (2012) 636-645
Space group: P -1
Cell volume: 1899.35
Cell parameters: 10.418; 13.4413; 13.9207; 87.564; 77.298; 88.101;

COD ID: 2105301

Formula: - C60 H32 B2 Cl4 N12 O -
Comments: Fulford, Mabel V.; Lough, Alan John; Bender, Timothy P. The first report of the crystal structure of non-solvated μ-oxo boron subphthalocyanine and the crystal structures of two solvated forms Acta Crystallographica Section B 68(6) (2012) 636-645
Space group: P -1
Cell volume: 2541.89
Cell parameters: 11.3894; 13.2623; 17.6618; 78.347; 85.616; 76.74;

COD ID: 2105302

Formula: - C48 H24 B2 N12 O -
Comments: Fulford, Mabel V.; Lough, Alan John; Bender, Timothy P. The first report of the crystal structure of non-solvated μ-oxo boron subphthalocyanine and the crystal structures of two solvated forms Acta Crystallographica Section B 68(6) (2012) 636-645
Space group: C 1 2/c 1
Cell volume: 3691.6
Cell parameters: 25.6932; 8.3375; 20.886; 90; 124.401; 90;

COD ID: 2105303

Formula: - C48 H32 N4 O0.5 S3 -
Comments: Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9H-carbazole]: isostructurality, modularity and order–disorder theory Acta Crystallographica Section B 68(6) (2012) 667-676
Space group: P 1 21 1
Cell volume: 3746.8
Cell parameters: 8.9004; 37.195; 11.6645; 90; 104.005; 90;

COD ID: 2105304

Formula: - C52 H34 N4 S3 -
Comments: Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9H-carbazole]: isostructurality, modularity and order‒disorder theory Acta Crystallographica Section B 68(6) (2012) 667-676
Space group: P -1
Cell volume: 2017.8
Cell parameters: 8.8595; 11.5099; 21.2526; 103.26; 99.338; 101.444;

COD ID: 2105305

Formula: - C53 H36 N4 S3 -
Comments: Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9H-carbazole]: isostructurality, modularity and order–disorder theory Acta Crystallographica Section B 68(6) (2012) 667-676
Space group: P -1
Cell volume: 2043.5
Cell parameters: 8.9068; 11.651; 21.201; 100.671; 100.792; 103.193;

COD ID: 2105306

Formula: - C52 H40 N4 O3 S3 -
Comments: Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9H-carbazole]: isostructurality, modularity and order–disorder theory Acta Crystallographica Section B 68(6) (2012) 667-676
Space group: P 1 21/n 1
Cell volume: 4155.1
Cell parameters: 12.5233; 11.2845; 29.4786; 90; 94.1313; 90;

COD ID: 2105307

Formula: - C55 H37 N4 S3 -
Comments: Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9H-carbazole]: isostructurality, modularity and order–disorder theory Acta Crystallographica Section B 68(6) (2012) 667-676
Space group: P 1 21/n 1
Cell volume: 4219.4
Cell parameters: 12.6014; 11.481; 30.2953; 90; 105.704; 90;

COD ID: 2105308

Formula: - C46.5 H28 Cl D N4 S3 -
Comments: Stöger, Berthold; Kautny, Paul; Lumpi, Daniel; Zobetz, Erich; Fröhlich, Johannes Solvatomorphism of 9,9'-[1,3,4-thiadiazole-2,5-diylbis(2,3-thiophendiyl-4,1-phenylene)]bis[9H-carbazole]: isostructurality, modularity and order–disorder theory Acta Crystallographica Section B 68(6) (2012) 667-676
Space group: P 1 21/c 1
Cell volume: 7295.9
Cell parameters: 15.3042; 10.0019; 47.6862; 90; 91.7802; 90;

COD ID: 2310029
CIF file Original IUCr paper	Formula: - Ba0.721 Ca0.251 Ce0.024 Nb2 O6 - Comments: Graetsch, Heribert A.; Pandey, Chandra Shekhar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred Incommensurate modulation of calcium barium niobate (CBN28 and Ce:CBN28) Acta Crystallographica Section B 68(2) (2012) 101-106 Space group: X4bm Cell volume: 1227.06 Cell parameters: 12.4596; 12.4596; 7.9042; 90; 90; 90;

COD ID: 2310030
CIF file Original IUCr paper	Formula: - Ba0.72 Ca0.279 Nb2 O6 - Comments: Graetsch, Heribert A.; Pandey, Chandra Shekhar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred Incommensurate modulation of calcium barium niobate (CBN28 and Ce:CBN28) Acta Crystallographica Section B 68(2) (2012) 101-106 Space group: X4bm Cell volume: 1228.84 Cell parameters: 12.4529; 12.4529; 7.9242; 90; 90; 90;

COD ID: 2310031

Formula: - Ga0.889 O4.222 Zn2.889 -
Comments: Michiue, Yuichi; Kimizuka, Noboru; Kanke, Yasushi; Mori, Takao Structure of (Ga~2~O~3~)~2~(ZnO)~13~ and a unified description of the homologous series (Ga~2~O~3~)~2~(ZnO)~2~~n~+1 Acta Crystallographica Section B 68(3) (2012) 250-260
Space group: C2/m(\a0\g)00
Cell volume: 98.7
Cell parameters: 19.66; 3.2487; 1.6065; 90; 105.9; 90;

COD ID: 2310032
CIF file Original IUCr paper	Formula: - Ca Mn7 O12 - Comments: Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B 68(3) (2012) 240-249 Space group: R-3(00\g)0 Cell volume: 599.195 Cell parameters: 10.44365; 10.44365; 6.343562; 90; 90; 120;

COD ID: 2310033
CIF file Original IUCr paper	Formula: - Ca Mn7 O12 - Comments: Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B 68(3) (2012) 240-249 Space group: R3(00\g)t Cell volume: 599.196 Cell parameters: 10.443658; 10.443658; 6.343562; 90; 90; 120;

COD ID: 2310034
CIF file Original IUCr paper	Formula: - Ca Mn7 O12 - Comments: Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B 68(3) (2012) 240-249 Space group: R31(00\g)ts Cell volume: 598.25 Cell parameters: 10.4372; 10.4372; 6.3414; 90; 90; 120;

COD ID: 2310035
CIF file Original IUCr paper	Formula: - Ca Cu0.113 Mn6.887 O12 - Comments: Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B 68(3) (2012) 240-249 Space group: R31(00\g)ts Cell volume: 597.59 Cell parameters: 10.4312; 10.4312; 6.3417; 90; 90; 120;

COD ID: 2310036
CIF file Original IUCr paper	Formula: - Ca Mn7 O12 - Comments: Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B 68(3) (2012) 240-249 Space group: R31(00\g)ts Cell volume: 599.54 Cell parameters: 10.4452; 10.4452; 6.3453; 90; 90; 120;

COD ID: 2310037
CIF file Original IUCr paper	Formula: - Ca Cu0.246 Mn6.754 O12 - Comments: Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V. Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping Acta Crystallographica Section B 68(3) (2012) 240-249 Space group: R31(00\g)ts Cell volume: 593.6 Cell parameters: 10.403; 10.403; 6.334; 90; 90; 120;

COD ID: 2310038

Formula: - Bi14 Fe12 O61 Sr21 -
Comments: Elcoro, Luis; Pérez, Olivier; Perez-Mato, J. M.; Petříček, Václav Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi~2~Sr~3~Fe~2~O~9~]~m~[Bi~4~Sr~6~Fe~2~O~16~] family of compounds Acta Crystallographica Section B 68(4) (2012) 341-355
Space group: X2/m(\a0\g)0s
Cell volume: 68.217
Cell parameters: 3.5905; 5.4903; 3.4954; 90; 81.8989; 90;

COD ID: 2310039

Formula: - Bi0.737 Mo0.263 O1.895 -
Comments: Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(n~+2)Mo~n~O~6(n~+1) (n = 3, 4, 5 and 6) Acta Crystallographica Section B 68(4) (2012) 323-340
Space group: F2(\a0\g)0
Cell volume: 174.439
Cell parameters: 5.66785; 5.64098; 5.45603; 90; 89.6677; 90;

COD ID: 2310040

Formula: - Bi0.75 Mo0.25 O1.875 -
Comments: Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(n~+2)Mo~n~O~6(n~+1) (n = 3, 4, 5 and 6) Acta Crystallographica Section B 68(4) (2012) 323-340
Space group: F2/m(\a0\g)0s
Cell volume: 176.06
Cell parameters: 5.70284; 5.64841; 5.46579; 90; 89.5999; 90;

COD ID: 2310041

Formula: - Bi0.769 Mo0.231 O1.846 -
Comments: Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(n~+2)Mo~n~O~6(n~+1) (n = 3, 4, 5 and 6) Acta Crystallographica Section B 68(4) (2012) 323-340
Space group: F2(\a0\g)0
Cell volume: 177.977
Cell parameters: 5.76634; 5.64745; 5.46529; 90; 89.7935; 90;

COD ID: 2310042

Formula: - Bi0.727 Mo0.273 O1.909 -
Comments: Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S. Structure refinement and superspace description of the system Bi~2(n~+2)Mo~n~O~6(n~+1) (n = 3, 4, 5 and 6) Acta Crystallographica Section B 68(4) (2012) 323-340
Space group: F2/m(\a0\g)0s
Cell volume: 173.208
Cell parameters: 5.64477; 5.63038; 5.4499; 90; 89.7498; 90;

COD ID: 2310043

Formula: - Bi12 Fe10 O52 Sr18 -
Comments: Elcoro, Luis; Pérez, Olivier; Perez-Mato, J. M.; Petříček, Václav Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi~2~Sr~3~Fe~2~O~9~]~m~[Bi~4~Sr~6~Fe~2~O~16~] family of compounds Acta Crystallographica Section B 68(4) (2012) 341-355
Space group: X2/m(\a0\g)0s
Cell volume: 67.87
Cell parameters: 3.6174; 5.48; 3.4641; 90; 81.2438; 90;

COD ID: 2310050
CIF file Original IUCr paper	Formula: - Ag0.034 In0.037 Sb0.764 Te0.165 - Comments: Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi Structural transformation of Sb-based high-speed phase-change material Acta Crystallographica Section B 68(6) (2012) 559-570 Space group: R-3m(00\g)00 Cell volume: 90.551 Cell parameters: 4.3037; 4.3037; 5.6452; 90; 90; 120;

COD ID: 2310057
CIF file Original IUCr paper	Formula: - Sb0.87 Te0.13 - Comments: Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi Structural transformation of Sb-based high-speed phase-change material Acta Crystallographica Section B 68(6) (2012) 559-570 Space group: R-3m(00\g)00 Cell volume: 92.474 Cell parameters: 4.3181; 4.3181; 5.7267; 90; 90; 120;

COD ID: 2310058
CIF file Original IUCr paper	Formula: - Sb0.89 Te0.11 - Comments: Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi Structural transformation of Sb-based high-speed phase-change material Acta Crystallographica Section B 68(6) (2012) 559-570 Space group: R-3m(00\g)00 Cell volume: 90.754 Cell parameters: 4.29686; 4.29686; 5.6759; 90; 90; 120;

COD ID: 9017922