Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials' volume of publication is 71
| COD ID: 2019793 | |
| CIF file | Formula: - C11 H16 Cl N O2 - Comments: Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H. The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) Space group: P c a 21 Cell volume: 1217.77 Cell parameters: 9.4272; 7.0774; 18.2519; 90; 90; 90; |
| COD ID: 2019794 | |
| CIF file | Formula: - C11 H16 Cl N O2 - Comments: Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H. The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) Space group: P c a 21 Cell volume: 1129.31 Cell parameters: 9.1478; 6.9826; 17.6799; 90; 90; 90; |
| COD ID: 2019795 | |
| CIF file | Formula: - C11 H16 Cl N O2 - Comments: Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H. The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) Space group: P c a 21 Cell volume: 1053.1 Cell parameters: 8.8661; 6.9379; 17.12; 90; 90; 90; |
| COD ID: 2019796 | |
| CIF file | Formula: - C11 H16 Cl N O2 - Comments: Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H. The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) Space group: P c a 21 Cell volume: 970.3 Cell parameters: 8.4895; 6.8759; 16.6225; 90; 90; 90; |
| COD ID: 2019797 | |
| CIF file | Formula: - C11 H16 Cl N O2 - Comments: Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H. The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) Space group: P c a 21 Cell volume: 952.54 Cell parameters: 8.4043; 6.8578; 16.5271; 90; 90; 90; |
| COD ID: 2019798 | |
| CIF file | Formula: - C11 H16 Cl N O2 - Comments: Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H. The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) Space group: P c a 21 Cell volume: 936.49 Cell parameters: 8.3242; 6.8403; 16.447; 90; 90; 90; |
| COD ID: 2019799 | |
| CIF file | Formula: - C11 H16 Cl N O2 - Comments: Connor, Lauren E.; Delori, Amit; Hutchison, Ian B.; Nic Daeid, Niamh; Sutcliffe, Oliver B.; Oswald, Iain D. H. The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA) Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) Space group: P c a 21 Cell volume: 933.5 Cell parameters: 8.3325; 6.814; 16.4416; 90; 90; 90; |
| COD ID: 2019910 | |
| CIF file | Formula: - C10 H19 N5 O5 S - Comments: Gomathi, Sundaramoorthy; Nirmalram, Jeyaraman Selvaraj; Muthiah, Packianathan Thomas Hydrogen bonding patterns in salts of derivatives of aminopyrimidine and thiobarbituric acid Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(2) (2015) Space group: P -1 Cell volume: 1553.23 Cell parameters: 12.0229; 12.1092; 13.2095; 98.921; 115.403; 108.241; |
| COD ID: 2019911 | |
| CIF file | Formula: - C10 H16 N5 O5.75 S - Comments: Gomathi, Sundaramoorthy; Nirmalram, Jeyaraman Selvaraj; Muthiah, Packianathan Thomas Hydrogen bonding patterns in salts of derivatives of aminopyrimidine and thiobarbituric acid Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(2) (2015) Space group: P -1 Cell volume: 1531.84 Cell parameters: 10.2941; 10.9564; 14.3656; 77.876; 86.712; 75.243; |
| COD ID: 2019912 | |
| CIF file | Formula: - C18 H22 N6 O5 S - Comments: Gomathi, Sundaramoorthy; Nirmalram, Jeyaraman Selvaraj; Muthiah, Packianathan Thomas Hydrogen bonding patterns in salts of derivatives of aminopyrimidine and thiobarbituric acid Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(2) (2015) Space group: P 1 21/c 1 Cell volume: 2069.78 Cell parameters: 7.8329; 15.2433; 17.7173; 90; 101.925; 90; |
| COD ID: 2020862 | |
| CIF file | Formula: - C32 H22 Cu2 N0 O10 - Comments: Chen, Ying-Pin; Liu, Tian-Fu; Fordham, Stephen; Zhou, Hong-Cai Crystal engineering on superpolyhedral building blocks in metal‒organic frameworks applied in gas adsorption Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(6) (2015) 613-610 Space group: P 42/m n m Cell volume: 12698.1 Cell parameters: 18.757; 18.757; 36.092; 90; 90; 90; |
| COD ID: 2020863 | |
| CIF file | Formula: - C32 H22 N0 Ni3.17 O16 - Comments: Chen, Ying-Pin; Liu, Tian-Fu; Fordham, Stephen; Zhou, Hong-Cai Crystal engineering on superpolyhedral building blocks in metal‒organic frameworks applied in gas adsorption Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(6) (2015) 613 Space group: F m -3 m Cell volume: 68810 Cell parameters: 40.9779; 40.9779; 40.9779; 90; 90; 90; |
| COD ID: 2020864 | |
| CIF file | Formula: - C16 H24 Br4 Cu N2 - Comments: Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) 48-60 Space group: C 1 2/c 1 Cell volume: 2157.27 Cell parameters: 17.6373; 9.4076; 14.7798; 90; 118.396; 90; |
| COD ID: 2020865 | |
| CIF file | Formula: - C14 H20 Cl4 Cu N2 - Comments: Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) 48-60 Space group: P b c n Cell volume: 1855.87 Cell parameters: 16.9587; 7.8858; 13.8774; 90; 90; 90; |
| COD ID: 2020866 | |
| CIF file | Formula: - C14 H20 Br4 Cu N2 - Comments: Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) 48-60 Space group: C 1 2/c 1 Cell volume: 1925.93 Cell parameters: 14.551; 7.8249; 17.0624; 90; 97.54; 90; |
| COD ID: 2020867 | |
| CIF file | Formula: - C14 H20 Br4 Cu N2 - Comments: Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) 48-60 Space group: C 1 2/c 1 Cell volume: 1989.96 Cell parameters: 14.6041; 7.9883; 17.1986; 90; 97.345; 90; |
| COD ID: 2020868 | |
| CIF file | Formula: - C14 H20 Cl4 Cu N2 - Comments: Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) 48-60 Space group: C 1 2/c 1 Cell volume: 1789.03 Cell parameters: 14.3451; 7.5569; 16.6038; 90; 96.309; 90; |
| COD ID: 2020869 | |
| CIF file | Formula: - C14 H20 Cl4 Cu N2 - Comments: Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) 48-60 Space group: C 1 2/c 1 Cell volume: 1852.82 Cell parameters: 14.4831; 7.7267; 16.6432; 90; 95.84; 90; |
| COD ID: 2020870 | |
| CIF file | Formula: - C14 H20 Cl4 Cu N2 - Comments: Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) 48-60 Space group: P b c n Cell volume: 1925.1 Cell parameters: 16.9411; 8.2218; 13.8212; 90; 90; 90; |
| COD ID: 2020871 | |
| CIF file | Formula: - C16 H24 Br4 Cu N2 - Comments: Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) 48-60 Space group: C 1 2/m 1 Cell volume: 1001.41 Cell parameters: 13.0879; 9.4953; 8.7957; 90; 113.631; 90; |
| COD ID: 2020872 | |
| CIF file | Formula: - C16 H24 Br4 Cu N2 - Comments: Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) 48-60 Space group: P -1 Cell volume: 1088.97 Cell parameters: 8.0517; 9.3247; 16.4524; 75.997; 88.567; 65.757; |
| COD ID: 2020873 | |
| CIF file | Formula: - C16 H24 Cl4 Cu N2 - Comments: Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) 48-60 Space group: C 1 2/m 1 Cell volume: 932.82 Cell parameters: 12.9074; 9.2262; 8.6377; 90; 114.925; 90; |
| COD ID: 2020874 | |
| CIF file | Formula: - C16 H24 Cl4 Cu N2 - Comments: Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) 48-60 Space group: C 1 2/m 1 Cell volume: 963.4 Cell parameters: 13.191; 9.2068; 8.7242; 90; 114.595; 90; |
| COD ID: 2020875 | |
| CIF file | Formula: - C16 H24 Cl4 Cu N2 - Comments: Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) 48-60 Space group: P -1 Cell volume: 1019.63 Cell parameters: 7.9236; 9.1502; 16.1341; 75.409; 86.964; 64.493; |
| COD ID: 2020876 | |
| CIF file | Formula: - C18 H28 Cl4 Cu N2 - Comments: Kelley, Annette; Nalla, Sowjanya; Bond, Marcus R. The square-planar to flattened-tetrahedral CuX42−(X= Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 71(1) (2015) 48-60 Space group: P 1 21/c 1 Cell volume: 1094.49 Cell parameters: 6.4234; 22.4819; 8.4552; 90; 116.314; 90; |
| COD ID: 2105998 | |
| CIF file | Formula: - C16 H16 - Comments: Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar Charge density investigations on [2,2]-paracyclophane ‒ in data we trust Acta Crystallographica Section B 71(1) (2015) Space group: P -4 n 2 Cell volume: 541.063 Cell parameters: 7.6726; 7.6726; 9.191; 90; 90; 90; |
| COD ID: 2105999 | |
| CIF file | Formula: - C16 H16 - Comments: Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar Charge density investigations on [2,2]-paracyclophane ‒ in data we trust Acta Crystallographica Section B 71(1) (2015) Space group: P -4 n 2 Cell volume: 539.085 Cell parameters: 7.6619; 7.6619; 9.183; 90; 90; 90; |
| COD ID: 2106000 | |
| CIF file | Formula: - C16 H16 - Comments: Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar Charge density investigations on [2,2]-paracyclophane ‒ in data we trust Acta Crystallographica Section B 71(1) (2015) Space group: P -4 n 2 Cell volume: 541.887 Cell parameters: 7.6761; 7.6761; 9.1966; 90; 90; 90; |
| COD ID: 2106001 | |
| CIF file | Formula: - C16 H16 - Comments: Wolf, Hilke; Jørgensen, Mads R. V.; Chen, Yu-Sheng; Herbst-Irmer, Regine; Stalke, Dietmar Charge density investigations on [2,2]-paracyclophane ‒ in data we trust Acta Crystallographica Section B 71(1) (2015) Space group: P -4 n 2 Cell volume: 539.658 Cell parameters: 7.6648; 7.6648; 9.1858; 90; 90; 90; |
| COD ID: 2106002 | |
| CIF file | Formula: - C4 H12 Cl4 Co N2 - Comments: Decaroli, C.; Arevalo-Lopez, A. M.; Woodall, C. H.; Rodriguez, E. E.; Attfield, J. P.; Parker, S. F.; Stock, C. (C~4~H~12~N~2~)[CoCl~4~]: tetrahedrally coordinated Co^2+^ without the orbital degeneracy Acta Crystallographica Section B 71(1) (2015) Space group: P 21 21 21 Cell volume: 1099.02 Cell parameters: 8.2876; 11.1324; 11.9121; 90; 90; 90; |
| COD ID: 2106003 | |
| CIF file | Formula: - C34 H50 O7 - Comments: Tykarska, Ewa; Gdaniec, Maria Solid-state supramolecular architecture of carbenoxolone ‒ comparative studies with glycyrrhetinic and glycyrrhizic acids Acta Crystallographica Section B 71(1) (2015) Space group: P 1 21 1 Cell volume: 3055.09 Cell parameters: 7.476; 35.981; 11.359; 90; 90.944; 90; |
| COD ID: 2106004 | |
| CIF file | Formula: - C37 H56 O9 - Comments: Tykarska, Ewa; Gdaniec, Maria Solid-state supramolecular architecture of carbenoxolone ‒ comparative studies with glycyrrhetinic and glycyrrhizic acids Acta Crystallographica Section B 71(1) (2015) Space group: P 1 21 1 Cell volume: 1730.78 Cell parameters: 13.064; 7.319; 18.617; 90; 103.515; 90; |
| COD ID: 2106005 | |
| CIF file | Formula: - C38 H60 O9 - Comments: Tykarska, Ewa; Gdaniec, Maria Solid-state supramolecular architecture of carbenoxolone ‒ comparative studies with glycyrrhetinic and glycyrrhizic acids Acta Crystallographica Section B 71(1) (2015) Space group: P 21 21 21 Cell volume: 3553.58 Cell parameters: 7.2834; 11.6425; 41.9069; 90; 90; 90; |
| COD ID: 2106006 | |
| CIF file | Formula: - C76 H119 Na O18 - Comments: Tykarska, Ewa; Gdaniec, Maria Solid-state supramolecular architecture of carbenoxolone ‒ comparative studies with glycyrrhetinic and glycyrrhizic acids Acta Crystallographica Section B 71(1) (2015) Space group: P 1 21 1 Cell volume: 3677.47 Cell parameters: 7.3497; 11.8061; 42.4208; 90; 92.476; 90; |
| COD ID: 2106007 | |
| CIF file | Formula: - C11 H8 O3 - Comments: Zhang, Qi; Li, Meiqi; Mei, Xuefeng A new polymorph of 1-hydroxy-2-naphthoic acid obtained during failed co-crystallization experiments Acta Crystallographica Section B 71(1) (2015) Space group: P 1 21/n 1 Cell volume: 870.1 Cell parameters: 6.9798; 3.8107; 32.79; 90; 93.901; 90; |
| COD ID: 2106008 | |
| CIF file | Formula: - C11 H8 O3 - Comments: Zhang, Qi; Li, Meiqi; Mei, Xuefeng A new polymorph of 1-hydroxy-2-naphthoic acid obtained during failed co-crystallization experiments Acta Crystallographica Section B 71(1) (2015) Space group: C 1 2/c 1 Cell volume: 1752.7 Cell parameters: 20.92; 6.9926; 14.688; 90; 125.339; 90; |
| COD ID: 2106009 | |
| CIF file | Formula: - Mo2.603 Nd4.365 O16.47 Pb0.335 - Comments: Antipin, Alexander M.; Sorokina, Natalia I.; Alekseeva, Olga A.; Kuskova, Alexandra N.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Voronkova, Valentina I. Structure of fluorite-like compound based on Nd~5~Mo~3~O~16~ with lead partly substituting for neodymium Acta Crystallographica Section B 71(2) (2015) Space group: P n -3 n :1 Cell volume: 1346.3 Cell parameters: 11.0421; 11.0421; 11.0421; 90; 90; 90; |
| COD ID: 2106010 | |
| CIF file | Formula: - Ba O6.84 Si2 Ti - Comments: Viani, Alberto; Palermo, Andrea; Zanardi, Stefano; Demitri, Nicola; Petrícek, Václav; Varini, Federico; Belluso, Elena; Ståhl, Kenny; Gualtieri, Alessandro Francesco Structure and stability of BaTiSi~2~O~7~ Acta Crystallographica Section B 71(2) (2015) Space group: P 1 21/n 1 Cell volume: 587.96 Cell parameters: 7.98355; 10.0084; 7.47952; 90; 100.321; 90; |
| COD ID: 2106011 | |
| CIF file | Formula: - Ba O7 Si2 Ti - Comments: Viani, Alberto; Palermo, Andrea; Zanardi, Stefano; Demitri, Nicola; Petrícek, Václav; Varini, Federico; Belluso, Elena; Ståhl, Kenny; Gualtieri, Alessandro Francesco Structure and stability of BaTiSi~2~O~7~ Acta Crystallographica Section B 71(2) (2015) Space group: P -1 Cell volume: 588.392 Cell parameters: 7.99385; 10.01017; 7.47514; 90.0836; 100.368; 89.9368; |
| COD ID: 2106012 | |
| CIF file | Formula: - C18 H30 Cl N9 O5 - Comments: Gerhardt, Valeska; Egert, Ernst Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives Acta Crystallographica Section B 71(2) (2015) 209-220 Space group: P -1 Cell volume: 1173.4 Cell parameters: 9.445; 10.3974; 13.3661; 77.188; 89.846; 67.043; |
| COD ID: 2106013 | |
| CIF file | Formula: - C13 H26 N8 O3 - Comments: Gerhardt, Valeska; Egert, Ernst Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives Acta Crystallographica Section B 71(2) (2015) 209-220 Space group: P 1 21/n 1 Cell volume: 1736.93 Cell parameters: 7.6291; 21.0118; 10.969; 90; 98.95; 90; |
| COD ID: 2106014 | |
| CIF file | Formula: - C12 H19 Cl N8 O3 - Comments: Gerhardt, Valeska; Egert, Ernst Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives Acta Crystallographica Section B 71(2) (2015) 209-220 Space group: P -1 Cell volume: 803.7 Cell parameters: 6.997; 8.614; 13.8513; 85.725; 84.516; 75.572; |
| COD ID: 2106015 | |
| CIF file | Formula: - C11 H19 Cl N8 O4 - Comments: Gerhardt, Valeska; Egert, Ernst Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives Acta Crystallographica Section B 71(2) (2015) 209-220 Space group: P -1 Cell volume: 818.3 Cell parameters: 7.1719; 8.6197; 13.5029; 94.574; 92.707; 99.84; |
| COD ID: 2106016 | |
| CIF file | Formula: - C10 H14 Cl2 N8 O3 - Comments: Gerhardt, Valeska; Egert, Ernst Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives Acta Crystallographica Section B 71(2) (2015) 209-220 Space group: P -1 Cell volume: 785.79 Cell parameters: 8.4573; 9.3488; 10.8269; 72.144; 77.879; 77.444; |
| COD ID: 2106017 | |
| CIF file | Formula: - C10 H14 Cl2 N8 O3 - Comments: Gerhardt, Valeska; Egert, Ernst Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives Acta Crystallographica Section B 71(2) (2015) 209-220 Space group: P -1 Cell volume: 1558.47 Cell parameters: 11.9691; 12.3455; 12.4618; 109.385; 96.199; 111.598; |
| COD ID: 2106018 | |
| CIF file | Formula: - C5 H5 Cl N2 O2 - Comments: Gerhardt, Valeska; Egert, Ernst Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives Acta Crystallographica Section B 71(2) (2015) 209-220 Space group: P 1 21/c 1 Cell volume: 630.9 Cell parameters: 4.4135; 15.78; 9.0645; 90; 92.025; 90; |
| COD ID: 2106019 | |
| CIF file | Formula: - C17 H36 Cl4 N16 O3 - Comments: Gerhardt, Valeska; Egert, Ernst Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives Acta Crystallographica Section B 71(2) (2015) 209-220 Space group: C 1 2/m 1 Cell volume: 2936.5 Cell parameters: 18.6341; 13.0507; 12.3166; 90; 101.365; 90; |
| COD ID: 2106020 | |
| CIF file | Formula: - C3 H12 Mo0.2 N6 O4 S4 Zn0.75 - Comments: Rajasekar, M.; Muthu, K.; Aditya Prasad, A.; Agilandeshwari, R.; Meenakshisundaram, SP Synthesis, growth, structure and characterization of molybdenum zinc thiourea complex crystals Acta Crystallographica Section B 71(3) (2015) Space group: P c a 21 Cell volume: 1335.1 Cell parameters: 11.153; 7.7691; 15.408; 90; 90; 90; |
| COD ID: 2106021 | |
| CIF file | Formula: - Li Na O4 S - Comments: Karppinen, Markku Crystal structure, atomic net charges and electric moments in pyroelectric LiNaSO~4~ at 296K Acta Crystallographica Section B 71(3) (2015) 334-341 Space group: P 3 1 c Cell volume: 496.68 Cell parameters: 7.6281; 7.6281; 9.8562; 90; 90; 120; |
| COD ID: 2106022 | |
| CIF file | Formula: - F6 K2 Si - Comments: Göbel, Ole F.; ten Elshof, Johan E.; Kaminsky, Werner; Hannss, Matthias Optical anomaly in artificial cubic hieratite, K~2~[SiF~6~] Acta Crystallographica Section B 71(3) (2015) 328-333 Space group: F m -3 m Cell volume: 538.26 Cell parameters: 8.1345; 8.1345; 8.1345; 90; 90; 90; |
| COD ID: 2106620 | |
| CIF file | Formula: - C8 H10 Cl N O6 - Comments: Direm, Amani; Altomare, Angela; Moliterni, Anna; Benali-Cherif, Nourredine Intermolecular interactions of proton transfer compounds: synthesis, crystal structure and Hirshfeld surface analysis Acta Crystallographica Section B 71(4) (2015) Space group: P 1 21/a 1 Cell volume: 1085.86 Cell parameters: 7.3914; 11.6712; 12.5913; 90; 91.455; 90; |
| COD ID: 2106621 | |
| CIF file | Formula: - C8 H10 N2 O5 - Comments: Direm, Amani; Altomare, Angela; Moliterni, Anna; Benali-Cherif, Nourredine Intermolecular interactions of proton transfer compounds: synthesis, crystal structure and Hirshfeld surface analysis Acta Crystallographica Section B 71(4) (2015) Space group: I 1 2/a 1 Cell volume: 1885.5 Cell parameters: 13.3114; 6.0032; 24.1094; 90; 101.854; 90; |
| COD ID: 2106622 | |
| CIF file | Formula: - C8 H10 Cl N O6 - Comments: Direm, Amani; Altomare, Angela; Moliterni, Anna; Benali-Cherif, Nourredine Intermolecular interactions of proton transfer compounds: synthesis, crystal structure and Hirshfeld surface analysis Acta Crystallographica Section B 71(4) (2015) Space group: P -1 Cell volume: 1030.56 Cell parameters: 4.9634; 12.9992; 16.5405; 75.125; 88.907; 87.706; |
| COD ID: 2106623 | |
| CIF file | Formula: - F5 H12 N3 O2 W - Comments: Udovenko, Anatoly; Laptash, Natalia Crystal structure and phase transition in (NH~4~)~3~WO~2~F~5~: from dynamic to static orientational disorder Acta Crystallographica Section B 71(4) (2015) 478-483 Space group: P a -3 Cell volume: 1712.28 Cell parameters: 11.9635; 11.9635; 11.9635; 90; 90; 90; |
| COD ID: 2106624 | |
| CIF file | Formula: - F5 H12 N3 O2 W - Comments: Udovenko, Anatoly; Laptash, Natalia Crystal structure and phase transition in (NH~4~)~3~WO~2~F~5~: from dynamic to static orientational disorder Acta Crystallographica Section B 71(4) (2015) 478-483 Space group: P m -3 m Cell volume: 219.234 Cell parameters: 6.0298; 6.0298; 6.0298; 90; 90; 90; |
| COD ID: 2106625 | |
| CIF file | Formula: - Ba Ce O3 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 340.308 Cell parameters: 6.21664; 8.77789; 6.23629; 90; 90; 90; |
| COD ID: 2106626 | |
| CIF file | Formula: - Ba Ce O3 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 340.308 Cell parameters: 6.21664; 8.77789; 6.23629; 90; 90; 90; |
| COD ID: 2106627 | |
| CIF file | Formula: - Ba0.83 Ce0.95 O3 Pr0.17 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 339.181 Cell parameters: 6.21025; 8.76826; 6.22886; 90; 90; 90; |
| COD ID: 2106628 | |
| CIF file | Formula: - Ba0.83 Ce0.95 O3 Pr0.17 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 339.181 Cell parameters: 6.21025; 8.76826; 6.22886; 90; 90; 90; |
| COD ID: 2106629 | |
| CIF file | Formula: - Ba Ce0.8 O3 Pr0.2 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 339.181 Cell parameters: 6.21025; 8.76826; 6.22886; 90; 90; 90; |
| COD ID: 2106630 | |
| CIF file | Formula: - Ba Ce0.8 O3 Pr0.2 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 339.181 Cell parameters: 6.21025; 8.76826; 6.22886; 90; 90; 90; |
| COD ID: 2106631 | |
| CIF file | Formula: - Ba Ce0.8 O3 Pr0.2 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 339.181 Cell parameters: 6.21025; 8.76826; 6.22886; 90; 90; 90; |
| COD ID: 2106632 | |
| CIF file | Formula: - Ba Ce0.8 O3 Pr0.2 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 339.181 Cell parameters: 6.21025; 8.76826; 6.22886; 90; 90; 90; |
| COD ID: 2106633 | |
| CIF file | Formula: - Ba0.71 Ce0.92 O3 Pr0.29 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 338.282 Cell parameters: 6.20345; 8.75952; 6.22537; 90; 90; 90; |
| COD ID: 2106634 | |
| CIF file | Formula: - Ba0.71 Ce0.92 O3 Pr0.29 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 338.282 Cell parameters: 6.20345; 8.75952; 6.22537; 90; 90; 90; |
| COD ID: 2106635 | |
| CIF file | Formula: - Ba Ce0.6 O3 Pr0.4 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 338.282 Cell parameters: 6.20345; 8.75952; 6.22537; 90; 90; 90; |
| COD ID: 2106636 | |
| CIF file | Formula: - Ba Ce0.6 O3 Pr0.4 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 338.282 Cell parameters: 6.20345; 8.75952; 6.22537; 90; 90; 90; |
| COD ID: 2106637 | |
| CIF file | Formula: - Ba0.995 Ce0.597 O3 Pr0.4 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 338.282 Cell parameters: 6.20345; 8.75952; 6.22537; 90; 90; 90; |
| COD ID: 2106638 | |
| CIF file | Formula: - Ba0.995 Ce0.597 O3 Pr0.4 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 338.282 Cell parameters: 6.20345; 8.75952; 6.22537; 90; 90; 90; |
| COD ID: 2106639 | |
| CIF file | Formula: - Ba0.625 Ce0.9 O3 Pr0.375 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 337.267 Cell parameters: 6.19647; 8.74999; 6.22045; 90; 90; 90; |
| COD ID: 2106640 | |
| CIF file | Formula: - Ba0.625 Ce0.9 O3 Pr0.375 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 337.267 Cell parameters: 6.19647; 8.74999; 6.22045; 90; 90; 90; |
| COD ID: 2106641 | |
| CIF file | Formula: - Ba Ce0.4 O3 Pr0.6 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 337.267 Cell parameters: 6.19647; 8.74999; 6.22045; 90; 90; 90; |
| COD ID: 2106642 | |
| CIF file | Formula: - Ba Ce0.4 O3 Pr0.6 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 337.267 Cell parameters: 6.19647; 8.74999; 6.22045; 90; 90; 90; |
| COD ID: 2106643 | |
| CIF file | Formula: - Ba0.991 Ce0.396 O3 Pr0.594 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 337.267 Cell parameters: 6.19647; 8.74999; 6.22045; 90; 90; 90; |
| COD ID: 2106644 | |
| CIF file | Formula: - Ba0.991 Ce0.396 O3 Pr0.594 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 337.267 Cell parameters: 6.19647; 8.74999; 6.22045; 90; 90; 90; |
| COD ID: 2106645 | |
| CIF file | Formula: - Ba0.56 Ce0.886 O3 Pr0.44 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 336.168 Cell parameters: 6.18949; 8.74009; 6.21421; 90; 90; 90; |
| COD ID: 2106646 | |
| CIF file | Formula: - Ba0.56 Ce0.886 O3 Pr0.44 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 336.168 Cell parameters: 6.18949; 8.74009; 6.21421; 90; 90; 90; |
| COD ID: 2106647 | |
| CIF file | Formula: - Ba Ce0.2 O3 Pr0.8 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 336.168 Cell parameters: 6.18949; 8.74009; 6.21421; 90; 90; 90; |
| COD ID: 2106648 | |
| CIF file | Formula: - Ba Ce0.2 O3 Pr0.8 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 336.168 Cell parameters: 6.18949; 8.74009; 6.21421; 90; 90; 90; |
| COD ID: 2106649 | |
| CIF file | Formula: - Ba0.99 Ce0.2 O3 Pr0.79 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 336.168 Cell parameters: 6.18949; 8.74009; 6.21421; 90; 90; 90; |
| COD ID: 2106650 | |
| CIF file | Formula: - Ba0.99 Ce0.2 O3 Pr0.79 - Comments: Basbus, Juan F.; Caneiro, Alberto; Suescun, Leopoldo; Lamas, Diego G.; Mogni, Liliana V. Anomalous X-ray diffraction study of Pr-substituted BaCeO~3{-~δ} Acta Crystallographica Section B 71(4) (2015) 455-462 Space group: P n m a Cell volume: 336.168 Cell parameters: 6.18949; 8.74009; 6.21421; 90; 90; 90; |
| COD ID: 2106651 | |
| CIF file | Formula: - C14 H22 N2 O - Comments: Gryl, Marlena Charge density and optical properties of multicomponent crystals containing active pharmaceutical ingredients or their analogues Acta Crystallographica Section B 71(4) (2015) 392-405 Space group: P 1 21 1 Cell volume: 2806.24 Cell parameters: 12.8666; 13.6966; 16.2049; 90; 100.686; 90; |
| COD ID: 2106776 | |
| CIF file | Formula: - Al12 Cs6 Cu3 O24 - Comments: Shvanskaya, Larisa; Yakubovich, Olga; Massa, Werner; Vasiliev, Alexander Two-dimensional zeolite-like network in the new caesium copper aluminate Cs~2~CuAl~4~O~8~ Acta Crystallographica Section B 71(5) (2015) Space group: P 1 21/c 1 Cell volume: 1415.5 Cell parameters: 8.4551; 10.012; 17.073; 90; 101.643; 90; |
| COD ID: 2106777 | |
| CIF file | Formula: - Bi14 O36 S5 - Comments: Pinto, Daniela; Garavelli, Anna; Bindi, Luca Fluorite-related one-dimensional units in natural bismuth oxysulfates: the crystal structures of Bi~14~O~16~(SO~4~)~5~ and Bi~30~O~33~(SO~4~)~9~(AsO~4~)~2~ Acta Crystallographica Section B 71(5) (2015) Space group: C 1 2 1 Cell volume: 1612.6 Cell parameters: 21.658; 5.6648; 15.092; 90; 119.433; 90; |
| COD ID: 2106778 | |
| CIF file | Formula: - As2 Bi30 O77 S9 - Comments: Pinto, Daniela; Garavelli, Anna; Bindi, Luca Fluorite-related one-dimensional units in natural bismuth oxysulfates: the crystal structures of Bi~14~O~16~(SO~4~)~5~ and Bi~30~O~33~(SO~4~)~9~(AsO~4~)~2~ Acta Crystallographica Section B 71(5) (2015) Space group: P 1 Cell volume: 1733.7 Cell parameters: 5.67; 13.9408; 22.7908; 80.903; 82.854; 78.27; |
| COD ID: 2106805 | |
| CIF file | Formula: - C15 H16 O4 - Comments: Hettiarachchi, Champika V.; Weerasekara, Roshan K.; Uekusa, Hidehiro Crystalline state photochromism of 3-furylfulgides: impact of size and bond flexibility of the non-aromatic alkylidene group Acta Crystallographica Section B 71(5) (2015) 535-542 Space group: P 1 21/n 1 Cell volume: 1329.4 Cell parameters: 12.56; 7.667; 14.624; 90; 109.259; 90; |
| COD ID: 2106806 | |
| CIF file | Formula: - C16 H18 O4 - Comments: Hettiarachchi, Champika V.; Weerasekara, Roshan K.; Uekusa, Hidehiro Crystalline state photochromism of 3-furylfulgides: impact of size and bond flexibility of the non-aromatic alkylidene group Acta Crystallographica Section B 71(5) (2015) 535-542 Space group: P 1 21/n 1 Cell volume: 1436.29 Cell parameters: 12.6826; 7.9499; 14.9392; 90; 107.531; 90; |
| COD ID: 2106807 | |
| CIF file | Formula: - C17 H18 O4 - Comments: Hettiarachchi, Champika V.; Weerasekara, Roshan K.; Uekusa, Hidehiro Crystalline state photochromism of 3-furylfulgides: impact of size and bond flexibility of the non-aromatic alkylidene group Acta Crystallographica Section B 71(5) (2015) 535-542 Space group: P 1 21/n 1 Cell volume: 1464.04 Cell parameters: 12.3175; 8.1863; 15.1293; 90; 106.327; 90; |
| COD ID: 2106808 | |
| CIF file | Formula: - C18 H20 O4 - Comments: Hettiarachchi, Champika V.; Weerasekara, Roshan K.; Uekusa, Hidehiro Crystalline state photochromism of 3-furylfulgides: impact of size and bond flexibility of the non-aromatic alkylidene group Acta Crystallographica Section B 71(5) (2015) 535-542 Space group: P 1 21/n 1 Cell volume: 1580.59 Cell parameters: 9.6047; 14.4631; 11.3814; 90; 91.355; 90; |
| COD ID: 2107266 | |
| CIF file | Formula: - Li0.5 Mn2 O4 - Comments: Bianchini, Matteo; Fauth, François; Suard, Emmanuelle; Leriche, Jean-Bernard; Masquelier, Christian; Croguennec, Laurence Spinel materials for Li-ion batteries: new insights obtained by <i>operando</i> neutron and synchrotron X-ray diffraction Acta Crystallographica Section B 71(6) (2015) Space group: P 21 3 Cell volume: 541.919 Cell parameters: 8.152889; 8.152889; 8.152889; 90; 90; 90; |
| COD ID: 2107267 | |
| CIF file | Formula: - C5.6 H7.2 Cl0.8 I1.6 N0.8 Pb0.4 - Comments: Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T. Structural diversity in hybrid organic‒inorganic lead iodide materials Acta Crystallographica Section B 71(6) (2015) 668-678 Space group: P 1 21 1 Cell volume: 1205.64 Cell parameters: 8.5992; 8.9125; 15.8039; 90; 95.502; 90; |
| COD ID: 2107268 | |
| CIF file | Formula: - C10 H10 I4 N2 Pb - Comments: Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T. Structural diversity in hybrid organic‒inorganic lead iodide materials Acta Crystallographica Section B 71(6) (2015) 668-678 Space group: I 1 2/a 1 Cell volume: 1696.06 Cell parameters: 7.7839; 14.1821; 15.3644; 90; 90.434; 90; |
| COD ID: 2107269 | |
| CIF file | Formula: - C7.47 H11.73 I3.2 N1.07 O1.07 Pb1.07 S1.07 - Comments: Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T. Structural diversity in hybrid organic‒inorganic lead iodide materials Acta Crystallographica Section B 71(6) (2015) 668-678 Space group: P b c a Cell volume: 6207.51 Cell parameters: 8.0519; 23.4398; 32.8901; 90; 90; 90; |
| COD ID: 2107270 | |
| CIF file | Formula: - C18 H26 I6 N4 O2 Pb2 - Comments: Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T. Structural diversity in hybrid organic‒inorganic lead iodide materials Acta Crystallographica Section B 71(6) (2015) 668-678 Space group: P 1 21/c 1 Cell volume: 1693.16 Cell parameters: 11.8465; 17.6887; 8.1762; 90; 98.798; 90; |
| COD ID: 2107271 | |
| CIF file | Formula: - C10 H18 I3 N O2 Pb S2 - Comments: Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T. Structural diversity in hybrid organic‒inorganic lead iodide materials Acta Crystallographica Section B 71(6) (2015) 668-678 Space group: P 1 21/c 1 Cell volume: 2068.6 Cell parameters: 15.0068; 16.9568; 8.1667; 90; 95.491; 90; |
| COD ID: 2107272 | |
| CIF file | Formula: - C3 H5 I3 N2 Pb - Comments: Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T. Structural diversity in hybrid organic‒inorganic lead iodide materials Acta Crystallographica Section B 71(6) (2015) 668-678 Space group: P 63/m Cell volume: 1680.92 Cell parameters: 15.5643; 15.5643; 8.0123; 90; 90; 120; |
| COD ID: 2107273 | |
| CIF file | Formula: - C3.2 H9.6 I2.4 N1.6 Pb0.4 - Comments: Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T. Structural diversity in hybrid organic‒inorganic lead iodide materials Acta Crystallographica Section B 71(6) (2015) 668-678 Space group: P 1 2/n 1 Cell volume: 1124.55 Cell parameters: 9.8058; 9.2603; 12.4081; 90; 93.553; 90; |
| COD ID: 2107274 | |
| CIF file | Formula: - Bi23 O46.5 W4 - Comments: Wind, Julia; Auckett, Josie E.; Withers, Ray L.; Piltz, Ross O.; Maljuk, Andrey; Ling, Chris D. Type II Bi~1{-~<i>x</i>}W<i>~x~</i>O~1.5+1.5<i>x~</i>: a (3+3)-dimensional commensurate modulation that stabilizes the fast-ion conducting delta phase of bismuth oxide Acta Crystallographica Section B 71(6) (2015) 679-687 Space group: F -4 3 m Cell volume: 4601.63 Cell parameters: 16.633; 16.633; 16.633; 90; 90; 90; |
| COD ID: 2107275 | |
| CIF file | Formula: - C24 H16 N4 - Comments: Granifo, Juan; Westermeyer, Marleen; Riquelme, Maricel; Gaviño, Rubén; Suárez, Sebastián; Halac, Emilia B.; Baggio, Ricardo A temperature-induced order‒disorder phase transition in a 4-substituted 4,2':6',4''-terpyridine Acta Crystallographica Section B 71(6) (2015) 805-813 Space group: P 1 21/n 1 Cell volume: 3600.18 Cell parameters: 23.9426; 10.4477; 14.9833; 90; 106.145; 90; |
| COD ID: 2107276 | |
| CIF file | Formula: - C24 H16 N4 - Comments: Granifo, Juan; Westermeyer, Marleen; Riquelme, Maricel; Gaviño, Rubén; Suárez, Sebastián; Halac, Emilia B.; Baggio, Ricardo A temperature-induced order‒disorder phase transition in a 4-substituted 4,2':6',4''-terpyridine Acta Crystallographica Section B 71(6) (2015) 805-813 Space group: P 1 21/n 1 Cell volume: 3628.32 Cell parameters: 24.0305; 10.4656; 15.0315; 90; 106.303; 90; |
| COD ID: 2107277 | |
| CIF file | Formula: - C24 H16 N4 - Comments: Granifo, Juan; Westermeyer, Marleen; Riquelme, Maricel; Gaviño, Rubén; Suárez, Sebastián; Halac, Emilia B.; Baggio, Ricardo A temperature-induced order‒disorder phase transition in a 4-substituted 4,2':6',4''-terpyridine Acta Crystallographica Section B 71(6) (2015) 805-813 Space group: P 1 21/n 1 Cell volume: 3661.3 Cell parameters: 24.2412; 10.4907; 15.0278; 90; 106.656; 90; |
| COD ID: 2107278 | |
| CIF file | Formula: - C24 H16 N4 - Comments: Granifo, Juan; Westermeyer, Marleen; Riquelme, Maricel; Gaviño, Rubén; Suárez, Sebastián; Halac, Emilia B.; Baggio, Ricardo A temperature-induced order‒disorder phase transition in a 4-substituted 4,2':6',4''-terpyridine Acta Crystallographica Section B 71(6) (2015) 805-813 Space group: P 1 21/c 1 Cell volume: 1841.81 Cell parameters: 12.2957; 10.5239; 14.925; 90; 107.508; 90; |
| COD ID: 2107279 | |
| CIF file | Formula: - C24 H16 N4 - Comments: Granifo, Juan; Westermeyer, Marleen; Riquelme, Maricel; Gaviño, Rubén; Suárez, Sebastián; Halac, Emilia B.; Baggio, Ricardo A temperature-induced order‒disorder phase transition in a 4-substituted 4,2':6',4''-terpyridine Acta Crystallographica Section B 71(6) (2015) 805-813 Space group: P 1 21/c 1 Cell volume: 1847.15 Cell parameters: 12.3277; 10.5211; 14.9441; 90; 107.638; 90; |
| COD ID: 2107280 | |
| CIF file | Formula: - Br K O3 - Comments: Santamaría-Pérez, David; Chulia-Jordan, Raquel; Rodríguez-Hernández, Placida; Muñoz, Alfonso Crystal behavior of potassium bromate under compression Acta Crystallographica Section B 71(6) (2015) 798-804 Space group: R 3 m :H Cell volume: 255.35 Cell parameters: 6.0104; 6.0104; 8.162; 90; 90; 120; |
| COD ID: 2107281 | |
| CIF file | Formula: - C30 H54 B Br F4 N2 O2 P2 Ru - Comments: Casaretto, Nicolas; Pillet, Sébastien; Bendeif, El-Eulmi; Schaniel, Dominik; Gallien, Anna K. E.; Klüfers, Peter; Woike, Theo Photocrystallography and IR spectroscopy of light-induced linkage NO isomers in [RuBr(NO)~2~(PCyp~3~)~2~]BF~4~ Acta Crystallographica Section B 71(6) (2015) 788-797 Space group: P -1 Cell volume: 1656.57 Cell parameters: 10.7965; 12.2449; 13.7452; 104.778; 91.462; 108.35; |
| COD ID: 2107282 | |
| CIF file | Formula: - C30 H54 B Br F4 N2 O2 P2 Ru - Comments: Casaretto, Nicolas; Pillet, Sébastien; Bendeif, El-Eulmi; Schaniel, Dominik; Gallien, Anna K. E.; Klüfers, Peter; Woike, Theo Photocrystallography and IR spectroscopy of light-induced linkage NO isomers in [RuBr(NO)~2~(PCyp~3~)~2~]BF~4~ Acta Crystallographica Section B 71(6) (2015) 788-797 Space group: P -1 Cell volume: 1658.37 Cell parameters: 10.7862; 12.2712; 13.7402; 104.562; 91.987; 108.301; |
| COD ID: 2107283 | |
| CIF file | Formula: - Mn2 Si3.5 - Comments: Akselrud, L.; Cardoso Gil, R.; Wagner-Reetz, M.; Grin, Yu. Disorder in the composite crystal structure of the manganese `disilicide' MnSi~1.73~ from powder X-ray diffraction data Acta Crystallographica Section B 71(6) (2015) 707-712 Space group: I 41/a m d :2 Cell volume: 133.123 Cell parameters: 5.5235; 5.5235; 4.3634; 90; 90; 90; |
| COD ID: 2107284 | |
| CIF file | Formula: - Li10.35 P1.65 S12 Si1.35 - Comments: Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure Acta Crystallographica Section B 71(6) (2015) 727-736 Space group: P 42/n m c :1 Cell volume: 934.54 Cell parameters: 8.6439; 8.6439; 12.50773; 90; 90; 90; |
| COD ID: 2107285 | |
| CIF file | Formula: - Li10.35 P1.65 S12 Si1.35 - Comments: Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure Acta Crystallographica Section B 71(6) (2015) 727-736 Space group: P 42/n m c :1 Cell volume: 946.83 Cell parameters: 8.68385; 8.68385; 12.55589; 90; 90; 90; |
| COD ID: 2107286 | |
| CIF file | Formula: - Li10.35 P1.65 S12 Si1.35 - Comments: Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure Acta Crystallographica Section B 71(6) (2015) 727-736 Space group: P 42/n m c :1 Cell volume: 973.416 Cell parameters: 8.76517; 8.76517; 12.67003; 90; 90; 90; |
| COD ID: 2107287 | |
| CIF file | Formula: - Li9.81 P2.19 S12 Sn0.81 - Comments: Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure Acta Crystallographica Section B 71(6) (2015) 727-736 Space group: P 42/n m c :1 Cell volume: 960.33 Cell parameters: 8.70054; 8.70054; 12.6861; 90; 90; 90; |
| COD ID: 2107288 | |
| CIF file | Formula: - Li9.81 P2.19 S12 Sn0.81 - Comments: Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure Acta Crystallographica Section B 71(6) (2015) 727-736 Space group: P 42/n m c :1 Cell volume: 970.866 Cell parameters: 8.73764; 8.73764; 12.7166; 90; 90; 90; |
| COD ID: 2107289 | |
| CIF file | Formula: - Li9.81 P2.19 S12 Sn0.81 - Comments: Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure Acta Crystallographica Section B 71(6) (2015) 727-736 Space group: P 42/n m c :1 Cell volume: 993.129 Cell parameters: 8.81049; 8.81049; 12.79398; 90; 90; 90; |
| COD ID: 2107290 | |
| CIF file | Formula: - B2 V - Comments: Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~ Acta Crystallographica Section B 71(6) (2015) 777-787 Space group: P 6/m m m Cell volume: 23.783 Cell parameters: 2.9977; 2.9977; 3.056; 90; 90; 120; |
| COD ID: 2107291 | |
| CIF file | Formula: - B V - Comments: Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~ Acta Crystallographica Section B 71(6) (2015) 777-787 Space group: C m c m Cell volume: 73.275 Cell parameters: 3.0616; 8.0495; 2.9733; 90; 90; 90; |
| COD ID: 2107292 | |
| CIF file | Formula: - B4 V3 - Comments: Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I.; Borrmann, Horst; Grin, Yuri On the transferability of electron density in binary vanadium borides VB, V~3~B~4~ and VB~2~ Acta Crystallographica Section B 71(6) (2015) 777-787 Space group: I m m m Cell volume: 120.686 Cell parameters: 2.9821; 3.0601; 13.2251; 90; 90; 90; |
| COD ID: 2107293 | |
| CIF file | Formula: - Cs F7 Y2 - Comments: McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W. Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides Acta Crystallographica Section B 71(6) (2015) 768-776 Space group: P n n a Cell volume: 1312.9 Cell parameters: 13.6028; 12.3072; 7.8426; 90; 90; 90; |
| COD ID: 2107294 | |
| CIF file | Formula: - F7 Rb Sm2 - Comments: McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W. Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides Acta Crystallographica Section B 71(6) (2015) 768-776 Space group: P n n a Cell volume: 1353.3 Cell parameters: 13.9359; 12.2412; 7.9329; 90; 90; 90; |
| COD ID: 2107295 | |
| CIF file | Formula: - Cs F7 Gd2 - Comments: McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W. Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides Acta Crystallographica Section B 71(6) (2015) 768-776 Space group: P n n a Cell volume: 1367.9 Cell parameters: 13.828; 12.415; 7.9681; 90; 90; 90; |
| COD ID: 2107296 | |
| CIF file | Formula: - F10 K Y3 - Comments: McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W. Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides Acta Crystallographica Section B 71(6) (2015) 768-776 Space group: F m -3 m Cell volume: 1538.4 Cell parameters: 11.5439; 11.5439; 11.5439; 90; 90; 90; |
| COD ID: 2107297 | |
| CIF file | Formula: - F10 Rb Y3 - Comments: McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W. Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides Acta Crystallographica Section B 71(6) (2015) 768-776 Space group: P 63 m c Cell volume: 778.9 Cell parameters: 8.1976; 8.1976; 13.384; 90; 90; 120; |
| COD ID: 2107298 | |
| CIF file | Formula: - F10 Rb Sm3 - Comments: McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W. Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides Acta Crystallographica Section B 71(6) (2015) 768-776 Space group: F m -3 m Cell volume: 1667.2 Cell parameters: 11.8576; 11.8576; 11.8576; 90; 90; 90; |
| COD ID: 2107299 | |
| CIF file | Formula: - F10 Gd3 Rb - Comments: McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W. Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides Acta Crystallographica Section B 71(6) (2015) 768-776 Space group: P 63 m c Cell volume: 824.9 Cell parameters: 8.354; 8.354; 13.649; 90; 90; 120; |
| COD ID: 2107300 | |
| CIF file | Formula: - F10 K Lu3 - Comments: McMillen, Colin D.; Comer, Sara; Fulle, Kyle; Sanjeewa, Liurukara D.; Kolis, Joseph W. Crystal chemistry of hydrothermally grown ternary alkali rare earth fluorides Acta Crystallographica Section B 71(6) (2015) 768-776 Space group: P 63 m c Cell volume: 736.7 Cell parameters: 8.042; 8.042; 13.154; 90; 90; 120; |
| COD ID: 2107479 | |
| CIF file | Formula: - Cr Fe O3 - Comments: Pérez-Cruz, María Ana; Elizalde-González, María de la Paz; Escudero, Roberto; Bernès, Sylvain; Silva-González, Rutilo; Reyes-Ortega, Yasmi At last! The single-crystal X-ray structure of a naturally occurring sample of the ilmenite-type oxide FeCrO~3~ Acta Crystallographica Section B 71(5) (2015) 555-561 Space group: R -3 :H Cell volume: 311.67 Cell parameters: 5.077; 5.077; 13.9621; 90; 90; 120; |
| COD ID: 2107480 | |
| CIF file | Formula: - C23 H41 Fe N3 O2 P2 - Comments: Bichler, Bernhard; Holzhacker, Christian; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl Twinning of three Fe-PNP pincer complexes interpreted according to order‒disorder (OD) theory Acta Crystallographica Section B 71(5) (2015) 524-534 Space group: P 1 1 21/b Cell volume: 10454 Cell parameters: 31.781; 18.012; 18.262; 90; 90; 90.004; |
| COD ID: 2107481 | |
| CIF file | Formula: - C14 H25 Br2 Fe N3 O P2 - Comments: Bichler, Bernhard; Holzhacker, Christian; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl Twinning of three Fe-PNP pincer complexes interpreted according to order‒disorder (OD) theory Acta Crystallographica Section B 71(5) (2015) 524-534 Space group: P 1 21/n 1 Cell volume: 1986.9 Cell parameters: 9.2939; 11.7224; 18.307; 90; 94.999; 90; |
| COD ID: 2107482 | |
| CIF file | Formula: - C46 H55 Cl2 Fe N3 O5 P2 - Comments: Bichler, Bernhard; Holzhacker, Christian; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl Twinning of three Fe-PNP pincer complexes interpreted according to order‒disorder (OD) theory Acta Crystallographica Section B 71(5) (2015) 524-534 Space group: P 1 Cell volume: 2327 Cell parameters: 9.3389; 10.3155; 24.3224; 96.277; 92.393; 90.009; |
| COD ID: 2310153 | |
| CIF file | Formula: - C32 H36 N8 O7 S - Comments: van de Streek, Jacco Structure of Pigment Yellow 181 dimethylsulfoxide N-methyl-2-pyrrolidone (1:1:1) solvate from XRPD + DFT-D. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(1) (2015) 89-94 Space group: P -1 Cell volume: 1628.78 Cell parameters: 8.4454; 10.9223; 18.4436; 90.268; 94.002; 106.255; |
| COD ID: 2310154 | |
| CIF file | Formula: - As39.51 Pb6.13 S136 Sb41.51 Tl16.85 - Comments: Biagioni, Cristian; Moëlo, Yves; Favreau, Georges; Bourgoin, Vincent; Boulliard, Jean Claude Structure of Pb-rich chabournéite from Jas Roux, France. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(1) (2015) 81-88 Space group: P 1 Cell volume: 5823 Cell parameters: 8.5197; 42.461; 16.293; 83.351; 90.958; 84.275; |
| COD ID: 2310155 | |
| CIF file | Formula: - C0.6 O49.2 Si24 - Comments: Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(1) (2015) 112-118 Space group: P 1 21/n 1 Cell volume: 5347.3 Cell parameters: 13.376; 20.111; 19.878; 90; 90.003; 90; |
| COD ID: 2310156 | |
| CIF file | Formula: - C0.14 O48.27 Si24 - Comments: Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(1) (2015) 112-118 Space group: P 1 21/n 1 Cell volume: 5354.4 Cell parameters: 13.383; 20.118; 19.887; 90; 90.049; 90; |
| COD ID: 2310157 | |
| CIF file | Formula: - C0.6 O49.2 Si24 - Comments: Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(1) (2015) 112-118 Space group: P 1 21/n 1 Cell volume: 5364.1 Cell parameters: 13.388; 20.132; 19.902; 90; 90.04; 90; |
| COD ID: 2310158 | |
| CIF file | Formula: - C1.1 O50.2 Si24 - Comments: Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(1) (2015) 112-118 Space group: P 1 21/n 1 Cell volume: 5353.5 Cell parameters: 13.383; 20.121; 19.881; 90; 90.057; 90; |
| COD ID: 2310159 | |
| CIF file | Formula: - C1.1 O48.5 Si24 - Comments: Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(1) (2015) 112-118 Space group: P 1 21/n 1 Cell volume: 5350.8 Cell parameters: 13.386; 20.106; 19.881; 90; 90.02; 90; |
| COD ID: 2310160 | |
| CIF file | Formula: - C2 O49 Si24 - Comments: Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(1) (2015) 112-118 Space group: P 1 21/n 1 Cell volume: 5347.4 Cell parameters: 13.381; 20.107; 19.875; 90; 90.023; 90; |
| COD ID: 2310161 | |
| CIF file | Formula: - C0.4 O48.2 Si24 - Comments: Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(1) (2015) 112-118 Space group: P 1 21/n 1 Cell volume: 5349 Cell parameters: 13.383; 20.108; 19.877; 90; 90.003; 90; |
| COD ID: 2310162 | |
| CIF file | Formula: - C0.5 O48.2 Si24 - Comments: Fujiyama, Shinjiro; Yoza, Kenji; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu Entrance and diffusion pathway of CO2 and dimethyl ether in silicalite-1 zeolite channels as determined by single-crystal XRD structural analysis Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(1) (2015) 112-118 Space group: P 1 21/n 1 Cell volume: 5351.4 Cell parameters: 13.385; 20.11; 19.881; 90; 90.041; 90; |
| COD ID: 2310163 | |
| CIF file | Formula: - C4 H16 Ca O12 - Comments: Ventruti, Gennaro; Scordari, Fernando; Bellatreccia, Fabio; Della Ventura, Giancarlo; Sodo, Armida Calcium tartrate esahydrate, CaC4H4O6·6H2O: a structural and spectroscopic study. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(1) (2015) 68-73 Space group: P 21 21 2 Cell volume: 577.551 Cell parameters: 7.739; 12.803; 5.829; 90; 90; 90; |
| COD ID: 2310766 | |
| CIF file | Formula: - C18 H10 Cl2 N2 O4 - Comments: Noohinejad, Leila; Mondal, Swastik; Ali, Sk Imran; Dey, Somnath; van Smaalen, Sander; Schönleber, Andreas Resonance-stabilized partial proton transfer in hydrogen bonds of incommensurate phenazine-chloranilic acid Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(2) (2015) 228-234 Space group: P 1 21 1 Cell volume: 746.49 Cell parameters: 12.372; 3.7649; 16.831; 90; 107.789; 90; |
| COD ID: 2310767 | |
| CIF file | Formula: - B3.041 O10.479 Si0.959 Sr4 - Comments: Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(5) (2015) 489-497 Space group: P n m a Cell volume: 259.038 Cell parameters: 12.2774; 3.9006; 5.4091; 90; 90; 90; |
| COD ID: 2310768 | |
| CIF file | Formula: - B3.376 O10.312 Si0.624 Sr4 - Comments: Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(5) (2015) 489-497 Space group: P n m a Cell volume: 254.55 Cell parameters: 12.178; 3.8801; 5.387; 90; 90; 90; |
| COD ID: 2310769 | |
| CIF file | Formula: - B3.704 O10.148 Si0.296 Sr4 - Comments: Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav Incommensurate modulation and thermal expansion of Sr~3~B~2+x~Si~1-x~O~8-x/2 solid solutions Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(5) (2015) 489-497 Space group: P n m a Cell volume: 251.184 Cell parameters: 12.089; 3.8635; 5.378; 90; 90; 90; |
| COD ID: 2310780 | |
| CIF file | Formula: - Bi0.097 Fe1.049 O2.585 Pb0.856 - Comments: Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(2) (2015) 127-143 Space group: I 1 2/m 1 Cell volume: 61.85 Cell parameters: 3.93492; 3.93193; 4.00171; 90; 92.603; 90; |
| COD ID: 2310781 | |
| CIF file | Formula: - Bi0.195 Fe1.046 O2.633 Pb0.763 - Comments: Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(2) (2015) 127-143 Space group: I 1 2/m 1 Cell volume: 62.454 Cell parameters: 3.92822; 3.92661; 4.05202; 90; 92.209; 90; |
| COD ID: 2310782 | |
| CIF file | Formula: - Bi0.292 Fe1.042 O2.675 Pb0.671 - Comments: Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(2) (2015) 127-143 Space group: I 1 2/m 1 Cell volume: 62.866 Cell parameters: 3.92131; 3.91951; 4.09255; 90; 91.913; 90; |
| COD ID: 2310783 | |
| CIF file | Formula: - Bi0.428 Fe1.034 O2.736 Pb0.541 - Comments: Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(2) (2015) 127-143 Space group: I 1 2/m 1 Cell volume: 63.353 Cell parameters: 3.9146; 3.91271; 4.13775; 90; 91.554; 90; |
| COD ID: 2310784 | |
| CIF file | Formula: - Bi0.545 Fe1.027 O2.783 Pb0.428 - Comments: Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke Synergy between transmission electron microscopy and powder diffraction: application to modulated structures. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(2) (2015) 127-143 Space group: I 1 2/m 1 Cell volume: 63.585 Cell parameters: 3.90908; 3.90585; 4.16564; 90; 91.318; 90; |
| COD ID: 2310785 | |
| CIF file | Formula: - Al4.8 O9.6 Si1.2 - Comments: Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X. The modulated average structure of mullite. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(3) (2015) 358-368 Space group: P b a m Cell volume: 168.752 Cell parameters: 7.5911; 7.6924; 2.8899; 90; 90; 90; |
| COD ID: 2310786 | |
| CIF file | Formula: - Al4.78 O9.61 Si1.22 - Comments: Birkenstock, Johannes; Petříček, Václav; Pedersen, Bjoern; Schneider, Hartmut; Fischer, Reinhard X. The modulated average structure of mullite. Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials 71(3) (2015) 358-368 Space group: P b a m Cell volume: 167.528 Cell parameters: 7.5757; 7.6651; 2.885; 90; 90; 90; |
| COD ID: 2311272 | |
| CIF file | Formula: - H18 Mg O13 Se - Comments: Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J. Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 3) (2015) 313-327 Space group: P 1 21/c 1 Cell volume: 1236 Cell parameters: 7.2223; 10.483; 17.327; 90; 109.573; 90; |
| COD ID: 2311273 | |
| CIF file | Formula: - H18 Mg O13 Se - Comments: Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J. Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 3) (2015) 313-327 Space group: P 1 21/c 1 Cell volume: 1237.4 Cell parameters: 7.2264; 10.487; 17.33; 90; 109.579; 90; |
| COD ID: 2311274 | |
| CIF file | Formula: - H18 Mg O13 Se - Comments: Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J. Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 3) (2015) 313-327 Space group: P 1 21/c 1 Cell volume: 1242.5 Cell parameters: 7.2389; 10.497; 17.349; 90; 109.522; 90; |
| COD ID: 2311275 | |
| CIF file | Formula: - H18 Mg O13 Se - Comments: Fortes, A. Dominic; Alfè, Dario; Hernández, Eduardo R; Gutmann, Matthias J. Structure of magnesium selenate enneahydrate, MgSeO4·9H2O, from 5 to 250 K using neutron time-of-flight Laue diffraction. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 3) (2015) 313-327 Space group: P 1 21/c 1 Cell volume: 1250.4 Cell parameters: 7.2604; 10.502; 17.388; 90; 109.423; 90; |
| COD ID: 2311666 | |
| CIF file | Formula: - C14 H15 N4 O4 P - Comments: Gholivand, Khodayar; Molaei, Foroogh; Hosseini, Mahdieh Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu). Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 2) (2015) 176-185 Space group: P -1 Cell volume: 1511.3 Cell parameters: 9.2849; 10.835; 15.295; 89.96; 84.78; 80.54; |
| COD ID: 2311667 | |
| CIF file | Formula: - C36 H42 Ce N7 O15 P2 - Comments: Gholivand, Khodayar; Molaei, Foroogh; Hosseini, Mahdieh Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu). Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 2) (2015) 176-185 Space group: P 1 21/n 1 Cell volume: 8659.1 Cell parameters: 14.8817; 15.9332; 36.7289; 90; 96.133; 90; |
| COD ID: 2311668 | |
| CIF file | Formula: - C36 H42 Eu N7 O15 P2 - Comments: Gholivand, Khodayar; Molaei, Foroogh; Hosseini, Mahdieh Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu). Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 2) (2015) 176-185 Space group: P 1 21/n 1 Cell volume: 8575.6 Cell parameters: 14.8395; 15.8178; 36.7471; 90; 96.168; 90; |
| COD ID: 2311669 | |
| CIF file | Formula: - C46 H54 Co N2 O4 P2 S4 - Comments: Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Maninder S.; Pandey, Sushil K. Synthesis and structural elucidation of new complexes of 2,4- and 3,5-dimethyl diphenyldithiophosphates with cobalt(II). Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 2) (2015) 221-227 Space group: P 1 21/n 1 Cell volume: 2407.2 Cell parameters: 10.254; 15.557; 15.444; 90; 102.287; 90; |
| COD ID: 2311670 | |
| CIF file | Formula: - C42 H46 Co N2 O4 P2 S4 - Comments: Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Maninder S.; Pandey, Sushil K. Synthesis and structural elucidation of new complexes of 2,4- and 3,5-dimethyl diphenyldithiophosphates with cobalt(II). Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 2) (2015) 221-227 Space group: P 1 21/n 1 Cell volume: 2119.8 Cell parameters: 11.8107; 14.4211; 12.8807; 90; 104.929; 90; |
| COD ID: 2311671 | |
| CIF file | Formula: - C46 H54 Co N2 O4 P2 S4 - Comments: Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Maninder S.; Pandey, Sushil K. Synthesis and structural elucidation of new complexes of 2,4- and 3,5-dimethyl diphenyldithiophosphates with cobalt(II). Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 2) (2015) 221-227 Space group: P 1 21/c 1 Cell volume: 2466.5 Cell parameters: 8.0404; 16.3777; 18.9182; 90; 98.074; 90; |
| COD ID: 2311672 | |
| CIF file | Formula: - C46 H54 Co N2 O4 P2 S4 - Comments: Kumar, Sandeep; Khajuria, Ruchi; Jassal, Amanpreet Kaur; Hundal, Maninder S.; Pandey, Sushil K. Synthesis and structural elucidation of new complexes of 2,4- and 3,5-dimethyl diphenyldithiophosphates with cobalt(II). Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 2) (2015) 221-227 Space group: P -1 Cell volume: 1181.83 Cell parameters: 9.5631; 9.8309; 14.2326; 99.29; 98.602; 112.994; |
| COD ID: 2311673 | |
| CIF file | Formula: - C18 H22 N4 O7 - Comments: Tilborg, Anaelle; Carletta, Andrea; Wouters, Johan Structural and energy insights on solid-state complexes with trimethoprim: a combined theoretical and experimental investigation. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 4) (2015) 406-415 Space group: P -1 Cell volume: 1915.6 Cell parameters: 10.47; 14.6637; 15.0285; 61.535; 83.55; 71.02; |
| COD ID: 2311674 | |
| CIF file | Formula: - C19 H15 N3 O2 - Comments: Souza, Talita Evelyn; Rosa, Iara Maria Landre; Legendre, Alexandre Oliveira; Paschoal, Diego; Maia, Lauro J. Q.; Dos Santos, Hélio F; Matins, Felipe Terra; Doriguetto, Antonio Carlos Non-centrosymmetric crystals of new N-benzylideneaniline derivatives as potential materials for non-linear optics. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 4) (2015) 416-426 Space group: C 1 c 1 Cell volume: 1539.48 Cell parameters: 10.3885; 16.7902; 8.9064; 90; 97.704; 90; |
| COD ID: 2311675 | |
| CIF file | Formula: - C19 H14 N4 O4 - Comments: Souza, Talita Evelyn; Rosa, Iara Maria Landre; Legendre, Alexandre Oliveira; Paschoal, Diego; Maia, Lauro J. Q.; Dos Santos, Hélio F; Matins, Felipe Terra; Doriguetto, Antonio Carlos Non-centrosymmetric crystals of new N-benzylideneaniline derivatives as potential materials for non-linear optics. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 4) (2015) 416-426 Space group: P 21 21 21 Cell volume: 1687.6 Cell parameters: 6.5715; 15.0533; 17.0598; 90; 90; 90; |
| COD ID: 2311676 | |
| CIF file | Formula: - C17 H19 N3 O2 - Comments: Souza, Talita Evelyn; Rosa, Iara Maria Landre; Legendre, Alexandre Oliveira; Paschoal, Diego; Maia, Lauro J. Q.; Dos Santos, Hélio F; Matins, Felipe Terra; Doriguetto, Antonio Carlos Non-centrosymmetric crystals of new N-benzylideneaniline derivatives as potential materials for non-linear optics. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 4) (2015) 416-426 Space group: P 1 21/c 1 Cell volume: 1512.7 Cell parameters: 16.1019; 7.6028; 12.3616; 90; 91.615; 90; |
| COD ID: 2311677 | |
| CIF file | Formula: - C11 H13 Cl N2 O2 - Comments: Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 4) (2015) 447-454 Space group: P c a b Cell volume: 2373.6 Cell parameters: 5.183; 16.808; 27.247; 90; 90; 90; |
| COD ID: 2311678 | |
| CIF file | Formula: - C11 H9 Br N2 O - Comments: Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 4) (2015) 447-454 Space group: P b c a Cell volume: 2075.9 Cell parameters: 10.1389; 7.5691; 27.0498; 90; 90; 90; |
| COD ID: 2311679 | |
| CIF file | Formula: - C11 H12 Br Cl N2 O2 - Comments: Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 4) (2015) 447-454 Space group: P -1 Cell volume: 648.6 Cell parameters: 6.845; 7.141; 13.905; 101.723; 95.164; 100.511; |
| COD ID: 2311680 | |
| CIF file | Formula: - C11 H15 N3 O6 - Comments: Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 4) (2015) 447-454 Space group: P -1 Cell volume: 674.22 Cell parameters: 7.0408; 8.4596; 11.4455; 89.438; 86.904; 82.072; |
| COD ID: 2311681 | |
| CIF file | Formula: - C11 H12 Cl N3 O3 - Comments: Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 4) (2015) 447-454 Space group: P 1 21/c 1 Cell volume: 2504.08 Cell parameters: 21.91; 8.0131; 14.3802; 90; 97.325; 90; |
| COD ID: 2311682 | |
| CIF file | Formula: - C25 H27 F2 N3 O8 - Comments: Zhang, Zhi-Hui; Zhang, Qi; Zhang, Qing-Qing; Chen, Chen; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Xuan, Xiao-Peng; Huang, Xian-Feng From a binary salt to salt co-crystals of antibacterial agent lomefloxacin with improved solubility and bioavailability. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 4) (2015) 437-446 Space group: P -1 Cell volume: 1237.6 Cell parameters: 8.6341; 10.5326; 14.302; 89.016; 73.535; 82.924; |
| COD ID: 2311683 | |
| CIF file | Formula: - C25 H28 F2 N7 O10 - Comments: Zhang, Zhi-Hui; Zhang, Qi; Zhang, Qing-Qing; Chen, Chen; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Xuan, Xiao-Peng; Huang, Xian-Feng From a binary salt to salt co-crystals of antibacterial agent lomefloxacin with improved solubility and bioavailability. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 4) (2015) 437-446 Space group: P -1 Cell volume: 1361.2 Cell parameters: 9.551; 9.701; 15.45; 83.87; 73.816; 83.271; |
| COD ID: 2311684 | |
| CIF file | Formula: - C30 H35 F2 N5 O12 - Comments: Zhang, Zhi-Hui; Zhang, Qi; Zhang, Qing-Qing; Chen, Chen; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Xuan, Xiao-Peng; Huang, Xian-Feng From a binary salt to salt co-crystals of antibacterial agent lomefloxacin with improved solubility and bioavailability. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 4) (2015) 437-446 Space group: P -1 Cell volume: 1589.4 Cell parameters: 10.032; 12.123; 14.336; 86.396; 71.375; 74.221; |
| COD ID: 2311685 | |
| CIF file | Formula: - C20 H22 Cl2 Cu2 N8 O2 - Comments: Vologzhanina, Anna V.; Kats, Svitlana V.; Penkova, Larisa V.; Pavlenko, Vadim A.; Efimov, Nikolay N.; Minin, Vadim V.; Eremenko, Igor L. Combined analysis of chemical bonding in a Cu(II) dimer using QTAIM, Voronoi tessellation and Hirshfeld surface approaches. Acta crystallographica Section B, Structural science, crystal engineering and materials 71(Pt 5) (2015) 543-554 Space group: P -1 Cell volume: 586.8 Cell parameters: 8.251; 8.949; 9.596; 64.89; 78.49; 66.231; |
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