Crystallography Open Database

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2104148 CIF
HKL
Paper
Ca1.17 Ge Mn0.83 O4P n m a11.3256; 6.5643; 5.1098
90; 90; 90
379.89Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner
On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)
Acta Crystallographica Section B, 2008, 64, 261-271
2104149 CIF
HKL
Paper
Ca1.16 Ge Mg0.83 O4P n m a11.2916; 6.4405; 5.0251
90; 90; 90
365.44Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner
On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)
Acta Crystallographica Section B, 2008, 64, 261-271
2104150 CIF
HKL
Paper
Ca1.11 Co0.89 Ge O4P n m a11.2923; 6.4369; 5.0246
90; 90; 90
365.23Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner
On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)
Acta Crystallographica Section B, 2008, 64, 261-271
2104151 CIF
HKL
Paper
Ca1.11 Co0.89 Ge O4P n m a11.2873; 6.4369; 5.0245
90; 90; 90
365.06Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner
On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)
Acta Crystallographica Section B, 2008, 64, 261-271
2104152 CIF
HKL
Paper
Ca1.31 Ge Mn0.69 O4P n m a11.3391; 6.6035; 5.1326
90; 90; 90
384.32Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner
On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)
Acta Crystallographica Section B, 2008, 64, 261-271
2104153 CIF
HKL
Paper
Ca1.07 Ge Mg0.93 O4P n m a11.2882; 6.4309; 5.0223
90; 90; 90
364.59Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner
On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)
Acta Crystallographica Section B, 2008, 64, 261-271
2104154 CIF
HKL
Paper
Ca2 Ge O4P n m a11.3923; 6.7854; 5.2388
90; 90; 90
404.97Redhammer, Günther J.; Roth, Georg; Amthauer, Georg; Lottermoser, Werner
On the crystal chemistry of olivine-type germanate compounds, Ca~1+<i>x~</i><i>M</i>~1{-~<i>x</i>}GeO~4~ (<i>M</i>^2+^ = Ca, Mg, Co, Mn)
Acta Crystallographica Section B, 2008, 64, 261-271
2104155 CIF
Paper
D4 GeP 21 21 217.35565; 8.15934; 4.53932
90; 90; 90
272.437Maley, Iain J.; Brown, Daniel H.; Ibberson, Richard M.; Pulham, Colin R.
Solid-state structures of the covalent hydrides germane and stannane
Acta Crystallographica Section B, 2008, 64, 312-317
2104156 CIF
Paper
D4 SnC 1 2/c 18.87431; 4.54743; 8.75705
90; 119.288; 90
308.219Maley, Iain J.; Brown, Daniel H.; Ibberson, Richard M.; Pulham, Colin R.
Solid-state structures of the covalent hydrides germane and stannane
Acta Crystallographica Section B, 2008, 64, 312-317
2104157 CIF
Paper
C48 H72 O20 Si16I 4121.1698; 21.1698; 16.059
90; 90; 90
7197Slebodnick, Carla; Angel, Ross J.; Hanson, Brian E.; Agaskar, Pradyot A.; Soler, Tatiana; Falvello, Larry R.
Disorder and pseudo-symmetry in octakis(trivinylsilyl)octasilicate
Acta Crystallographica Section B, 2008, 64, 330-337
2104158 CIF
HKL
Paper
C48 H72 O20 Si16I 415.004; 15.004; 7.9872
90; 90; 90
1798.08Slebodnick, Carla; Angel, Ross J.; Hanson, Brian E.; Agaskar, Pradyot A.; Soler, Tatiana; Falvello, Larry R.
Disorder and pseudo-symmetry in octakis(trivinylsilyl)octasilicate
Acta Crystallographica Section B, 2008, 64, 330-337
2104159 CIF
Paper
C5 H10 N2 O3P 21 21 2116.023; 7.7678; 5.1004
90; 90; 90
634.8Lozano-Casal, P.; Allan, D. R.; Parsons, S.
High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa
Acta Crystallographica Section B, 2008, 64, 466-475
2104160 CIF
Paper
C5 H10 N2 O3P 21 21 2115.992; 7.7558; 5.0941
90; 90; 90
631.83Lozano-Casal, P.; Allan, D. R.; Parsons, S.
High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa
Acta Crystallographica Section B, 2008, 64, 466-475
2104161 CIF
Paper
C5 H10 N2 O3P 21 21 2115.879; 7.705; 5.084
90; 90; 90
622Lozano-Casal, P.; Allan, D. R.; Parsons, S.
High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa
Acta Crystallographica Section B, 2008, 64, 466-475
2104162 CIF
Paper
C5 H10 N2 O3P 21 21 2115.679; 7.628; 5.023
90; 90; 90
600.7Lozano-Casal, P.; Allan, D. R.; Parsons, S.
High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa
Acta Crystallographica Section B, 2008, 64, 466-475
2104163 CIF
Paper
C5 H10 N2 O3P 21 21 2115.45; 7.55; 4.972
90; 90; 90
580Lozano-Casal, P.; Allan, D. R.; Parsons, S.
High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa
Acta Crystallographica Section B, 2008, 64, 466-475
2104164 CIF
Paper
C5 H10 N2 O3P 21 21 2115.328; 7.497; 4.941
90; 90; 90
567.8Lozano-Casal, P.; Allan, D. R.; Parsons, S.
High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa
Acta Crystallographica Section B, 2008, 64, 466-475
2104165 CIF
Paper
C5 H10 N2 O3P 21 21 2115.191; 7.455; 4.882
90; 90; 90
552.9Lozano-Casal, P.; Allan, D. R.; Parsons, S.
High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa
Acta Crystallographica Section B, 2008, 64, 466-475
2104166 CIF
HKL
Paper
C4 H4 N2 O2P b c a7.2155; 6.2725; 10.828
90; 90; 90
490.07Rychlewska, Urszula; Waścinska, Natalia; Warżajtis, Beata; Gawroński, Jacek
Role of the <i>gauche</i> effect and local 1,3-dipole–dipole interactions in stabilizing an unusual conformation of tartarodinitriles
Acta Crystallographica Section B, 2008, 64, 497-503
2104167 CIF
HKL
Paper
C8 H8 N2 O4P b c a12.451; 8.5089; 18.0764
90; 90; 90
1915.09Rychlewska, Urszula; Waścinska, Natalia; Warżajtis, Beata; Gawroński, Jacek
Role of the <i>gauche</i> effect and local 1,3-dipole‒dipole interactions in stabilizing an unusual conformation of tartarodinitriles
Acta Crystallographica Section B, 2008, 64, 497-503
2104168 CIF
HKL
Paper
C18 H12 N2 O4P -15.784; 7.3241; 10.229
106.26; 105.3; 96.55
392.9Rychlewska, Urszula; Waścinska, Natalia; Warżajtis, Beata; Gawroński, Jacek
Role of the <i>gauche</i> effect and local 1,3-dipole–dipole interactions in stabilizing an unusual conformation of tartarodinitriles
Acta Crystallographica Section B, 2008, 64, 497-503
2104169 CIF
HKL
Paper
C8 H8 N2 O4P 21 21 218.6112; 9.8185; 11.7898
90; 90; 90
996.82Rychlewska, Urszula; Waścinska, Natalia; Warżajtis, Beata; Gawroński, Jacek
Role of the <i>gauche</i> effect and local 1,3-dipole–dipole interactions in stabilizing an unusual conformation of tartarodinitriles
Acta Crystallographica Section B, 2008, 64, 497-503
2104170 CIF
Paper
Al0.256 In1.044 O3.35 Ti0.7C2/m(0\b0)s05.857; 3.361; 6.355
90; 107.96; 90
119Bereciartua, P. J.; Zuñiga, F. J.; Breczewski, T.
Incommensurate structure of InAl~1{-~<i>x</i>}Ti~<i>x~</i>O~3+<i>x~/2</i> [<i>x</i> = 0.701(1)]: comparison between modulated and composite models
Acta Crystallographica Section B, 2008, 64, 405-416
2104171 CIF
HKL
Paper
Al0.253 In1.046 O3.35 Ti0.701C2/m(0\b0)s05.857; 3.361; 6.355
90; 107.96; 90
119Bereciartua, P. J.; Zuñiga, F. J.; Breczewski, T.
Incommensurate structure of InAl~1{-~<i>x</i>}Ti~<i>x~</i>O~3+<i>x~/2</i> [<i>x</i> = 0.701(1)]: comparison between modulated and composite models
Acta Crystallographica Section B, 2008, 64, 405-416
2104172 CIF
HKL
Paper
C16 H33 F3 N2 O5 Si0.5P -111.554; 12.621; 22.763
83.87; 84.81; 63.86
2959.3Thaimattam, Ram; Szafran, Miroslaw; Dega-Szafran, Zofia; Jaskolski, Mariusz
Conformational richness and multiple <i>Z</i>' in salt co-crystal of <i>N</i>-methylpiperidine betaine with <i>N</i>-methylpiperidine betaine hexafluorosilicate
Acta Crystallographica Section B, 2008, 64, 483-490
2104173 CIF
HKL
Paper
Al2 Ca2 O5Imma(00\g)s005.2699; 14.6984; 5.4196
90; 90; 90
419.8Lazic, Biljana; Krüger, Hannes; Kahlenberg, Volker; Konzett, Jürgen; Kaindl, Reinhard
Incommensurate structure of Ca~2~Al~2~O~5~ at high temperatures ‒ structure investigation and Raman spectroscopy
Acta Crystallographica Section B, 2008, 64, 417-425
2104174 CIF
HKL
Paper
C3 H9 N OC 1 c 15.932; 8.259; 8.598
90; 93.64; 90
420.4Gajda, Roman; Katrusiak, Andrzej
Pressure-freezing with conformational conversion of 3-aminopropan-1-ol molecules
Acta Crystallographica Section B, 2008, 64, 476-482
2104175 CIF
HKL
Paper
C3 H9 N OC 1 c 15.853; 8.123; 8.428
90; 91.99; 90
400.5Gajda, Roman; Katrusiak, Andrzej
Pressure-freezing with conformational conversion of 3-aminopropan-1-ol molecules
Acta Crystallographica Section B, 2008, 64, 476-482
2104176 CIF
HKL
Paper
C3 H9 N OC 1 c 15.8288; 8.052; 8.343
90; 91.67; 90
391.4Gajda, Roman; Katrusiak, Andrzej
Pressure-freezing with conformational conversion of 3-aminopropan-1-ol molecules
Acta Crystallographica Section B, 2008, 64, 476-482
2104177 CIF
HKL
Paper
C18 H36 O6P 1 21/c 16.453; 11.678; 13.396
90; 101.378; 90
989.7Loehlin, James H.; Lee, Michelle; Woo, Christina M.
Hydrogen-bond patterns and the structures of 1,4-cyclohexanediol: 2:1 <i>cis</i>:<i>trans</i>-1,4-cyclohexanediol
Acta Crystallographica Section B, 2008, 64, 583-588
2104178 CIF
HKL
Paper
C18 H36 O6P 1 21/c 16.5263; 11.527; 14.2082
90; 100.123; 90
1052.22Loehlin, James H.; Lee, Michelle; Woo, Christina M.
Hydrogen-bond patterns and the structures of 1,4-cyclohexanediol: 2:1 <i>cis</i>:<i>trans</i>-1,4-cyclohexanediol
Acta Crystallographica Section B, 2008, 64, 583-588
2104179 CIF
Paper
C12 H12 N6P 1 21/n 110.6661; 7.7279; 14.359
90; 100.071; 90
1165.3Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions
Acta Crystallographica Section B, 2008, 64, 610-622
2104180 CIF
Paper
C12 H18 N6P 1 21/n 111.2407; 7.3654; 15.8178
90; 106.005; 90
1258.83Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions
Acta Crystallographica Section B, 2008, 64, 610-622
2104181 CIF
Paper
C11 H9 Cl N6P 1 21/c 111.196; 8.504; 13.3815
90; 120.674; 90
1095.8Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions
Acta Crystallographica Section B, 2008, 64, 610-622
2104182 CIF
Paper
C11 H17 N7 OP b c a7.0297; 13.859; 25.766
90; 90; 90
2510.2Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions
Acta Crystallographica Section B, 2008, 64, 610-622
2104183 CIF
Paper
C13 H16 N6 OP b c a16.5577; 8.6833; 18.464
90; 90; 90
2654.7Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions
Acta Crystallographica Section B, 2008, 64, 610-622
2104184 CIF
Paper
C13 H15 N6 O0.5C 1 2/c 117.642; 18.278; 8.3034
90; 103.512; 90
2603.4Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions
Acta Crystallographica Section B, 2008, 64, 610-622
2104185 CIF
Paper
C13 H15 N6 O1.5P -18.9516; 12.0627; 12.9053
91.612; 92.065; 95.259
1386.06Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions
Acta Crystallographica Section B, 2008, 64, 610-622
2104186 CIF
Paper
C18 H18 N6 OP 1 21/n 110.188; 9.5136; 33.695
90; 93.131; 90
3261Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions
Acta Crystallographica Section B, 2008, 64, 610-622
2104187 CIF
Paper
C20 H32 N12 O2P -17.9342; 8.9219; 16.767
76.855; 83.505; 88.003
1148.3Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions
Acta Crystallographica Section B, 2008, 64, 610-622
2104188 CIF
Paper
C11 H15 Cl N4 OP -15.907; 10.398; 10.801
110.86; 94.19; 96
612.2Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
<i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions
Acta Crystallographica Section B, 2008, 64, 596-609
2104189 CIF
Paper
C9 H13 Cl N4 OP 1 21/n 111.328; 8.081; 11.3849
90; 98.709; 90
1030.2Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
<i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions
Acta Crystallographica Section B, 2008, 64, 596-609
2104190 CIF
Paper
C9 H11 Cl N4 O2P 1 21/c 17.354; 8.291; 17.276
90; 97.962; 90
1043.2Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
<i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions
Acta Crystallographica Section B, 2008, 64, 596-609
2104191 CIF
Paper
C12 H17 Cl N4 OP -18.5722; 8.7195; 8.7681
82.598; 82.701; 88.645
644.63Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
<i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions
Acta Crystallographica Section B, 2008, 64, 596-609
2104192 CIF
Paper
C14 H15 Cl N4 OP -17.9897; 8.0922; 11.2786
91.602; 107.22; 91.776
695.66Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
<i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions
Acta Crystallographica Section B, 2008, 64, 596-609
2104193 CIF
Paper
C13 H13 Cl N4 OP -18.1811; 8.8325; 9.3356
81.844; 82.015; 73.041
635.33Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
<i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions
Acta Crystallographica Section B, 2008, 64, 596-609
2104194 CIF
Paper
C12 H11 Cl N4 OP -17.0568; 8.211; 10.565
84.59; 82.363; 78.687
593.5Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
<i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions
Acta Crystallographica Section B, 2008, 64, 596-609
2104195 CIF
Paper
C12 H11 Cl N4 OP -16.9938; 7.9544; 10.7507
81.191; 82.469; 87.333
585.71Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
<i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions
Acta Crystallographica Section B, 2008, 64, 596-609
2104196 CIF
Paper
C18 H15 Cl N4 OP -16.552; 11.1012; 11.4111
79.958; 84.802; 77.009
795.21Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
<i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions
Acta Crystallographica Section B, 2008, 64, 596-609
2104197 CIF
Paper
C15 H12 Cl N5 OP 1 21/n 17.5716; 16.6432; 10.945
90; 93.549; 90
1376.6Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
<i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions
Acta Crystallographica Section B, 2008, 64, 596-609
2104198 CIF
Paper
C11 H16 Cl N5 O2P -17.2147; 8.8563; 10.2855
84.856; 85.296; 79.092
641.3Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
<i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions
Acta Crystallographica Section B, 2008, 64, 596-609
2104199 CIF
Paper
C10 H13 Cl N4 OC 1 c 114.4681; 11.1378; 7.4534
90; 116.535; 90
1074.5Cobo, Justo; Trilleras, Jorge; Quiroga, Jairo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher
<i>N</i>^6^-Substituted 2-amino-4-chloro-5-formylpyrimidines: puckered <i>versus</i> planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions
Acta Crystallographica Section B, 2008, 64, 596-609
2104200 CIF
HKL
Paper
C9 H30 Cl9 P3 Sb2P n a 2114.842; 9.3475; 21.624
90; 90; 90
3000Gagor, Anna; Wojtaś, Maciej; Pietraszko, Adam; Jakubas, Ryszard
From six- to five-coordinated Sb^III^ in [(CH~3~)~3~PH]~3~[Sb~2~Cl~9~]: transition pathways from single-crystal X-ray diffraction
Acta Crystallographica Section B, 2008, 64, 558-566
2104201 CIF
Paper
C9 H30 Cl9 P3 Sb2P n a m15.07; 9.3026; 22.008
90; 90; 90
3085.3Gagor, Anna; Wojtaś, Maciej; Pietraszko, Adam; Jakubas, Ryszard
From six- to five-coordinated Sb^III^ in [(CH~3~)~3~PH]~3~[Sb~2~Cl~9~]: transition pathways from single-crystal X-ray diffraction
Acta Crystallographica Section B, 2008, 64, 558-566
2104202 CIF
HKL
Paper
C18 H60 Cl18 P6 Sb4P 63/m m c9.191; 9.191; 22.011
90; 90; 120
1610.3Gagor, Anna; Wojtaś, Maciej; Pietraszko, Adam; Jakubas, Ryszard
From six- to five-coordinated Sb^III^ in [(CH~3~)~3~PH]~3~[Sb~2~Cl~9~]: transition pathways from single-crystal X-ray diffraction
Acta Crystallographica Section B, 2008, 64, 558-566
2104203 CIF
HKL
Paper
F5 H8 N2 Nb OC m c 215.9915; 14.4518; 7.1999
90; 90; 90
623.42Udovenko, Anatoly A.; Laptash, Natalia M.
Orientational disorder and phase transitions in crystals of (NH~4~)~2~NbOF~5~
Acta Crystallographica Section B, 2008, 64, 527-533
2104204 CIF
HKL
Paper
F5 H8 N2 Nb OC 1 2 114.4051; 5.9715; 7.2312
90; 90.195; 90
622.02Udovenko, Anatoly A.; Laptash, Natalia M.
Orientational disorder and phase transitions in crystals of (NH~4~)~2~NbOF~5~
Acta Crystallographica Section B, 2008, 64, 527-533
2104205 CIF
HKL
Paper
F5 H8 N2 Nb OI 1 a 114.3384; 5.9804; 14.4524
90; 90.11; 90
1239.3Udovenko, Anatoly A.; Laptash, Natalia M.
Orientational disorder and phase transitions in crystals of (NH~4~)~2~NbOF~5~
Acta Crystallographica Section B, 2008, 64, 527-533
2104206 CIF
HKL
Paper
C25 H23 Cl P RhP -110.243; 10.4042; 11.4078
99.213; 103.131; 115.08
1026.01Sparkes, Hazel A.; Brayshaw, Simon K.; Weller, Andrew S.; Howard, Judith A. K.
[Rh(C~7~H~8~)(PPh~3~)Cl]: an experimental charge-density study
Acta Crystallographica Section B, 2008, 64, 550-557
2104207 CIF
Paper
C5 H8 N4 O4P 1 21/c 17.8857; 6.962; 14.4283
90; 98.027; 90
784.36Gryl, Marlena; Krawczuk, Anna; Stadnicka, Katarzyna
Polymorphism of urea–barbituric acid co-crystals
Acta Crystallographica Section B, 2008, 64, 623-632
2104208 CIF
Paper
C5 H8 N4 O4C 1 c 115.9423; 5.0984; 10.5534
90; 110.57; 90
803.09Gryl, Marlena; Krawczuk, Anna; Stadnicka, Katarzyna
Polymorphism of urea–barbituric acid co-crystals
Acta Crystallographica Section B, 2008, 64, 623-632
2104209 CIF
Paper
C5 H8 N4 O4P -18.1588; 9.1117; 10.9268
100.248; 91.515; 99.192
787.82Gryl, Marlena; Krawczuk, Anna; Stadnicka, Katarzyna
Polymorphism of urea–barbituric acid co-crystals
Acta Crystallographica Section B, 2008, 64, 623-632
2104210 CIF
HKL
Paper
Ga2 O9 Zn6C m c m3.2465; 19.64; 24.783
90; 90; 90
1580.2Michiue, Yuichi; Kimizuka, Noboru; Kanke, Yasushi
Structure of Ga~2~O~3~(ZnO)~6~: a member of the homologous series Ga~2~O~3~(ZnO)~<i>m~</i>
Acta Crystallographica Section B, 2008, 64, 521-526
2104211 CIF
HKL
Paper
C4 D4 SP 1 21 111.05278; 7.50396; 10.1632
90; 89.996; 90
842.93Damay, F.; Rodríguez-Carvajal, J.; André, D.; Dunstetter, F.; Szwarc, H.
Orientational ordering in the low-temperature stable phases of deuterated thiophene
Acta Crystallographica Section B, 2008, 64, 589-595
2104212 CIF
Paper
C4 D4 SP 1 21 111.02171; 7.42951; 10.09755
90; 89.989; 90
826.85Damay, F.; Rodríguez-Carvajal, J.; André, D.; Dunstetter, F.; Szwarc, H.
Orientational ordering in the low-temperature stable phases of deuterated thiophene
Acta Crystallographica Section B, 2008, 64, 589-595
2104213 CIF
HKL
Paper
C4.572 D4.572 S1.143P b n m5.5226; 7.62; 10.2688
90; 90; 90
432.134Damay, F.; Rodríguez-Carvajal, J.; André, D.; Dunstetter, F.; Szwarc, H.
Orientational ordering in the low-temperature stable phases of deuterated thiophene
Acta Crystallographica Section B, 2008, 64, 589-595
2104214 CIF
Paper
C4 D4 SP21(\a0\g)05.5169; 7.5335; 10.1817
90; 89.996; 90
423.167Damay, F.; Rodríguez-Carvajal, J.; André, D.; Dunstetter, F.; Szwarc, H.
Orientational ordering in the low-temperature stable phases of deuterated thiophene
Acta Crystallographica Section B, 2008, 64, 589-595
2104215 CIF
HKL
Paper
B6 CeP m -3 m4.14288; 4.14288; 4.14288
90; 90; 90
71.1061Makita, Ryoko; Tanaka, Kiyoaki; Ōnuki, Yoshichika
5<i>d</i> and 4<i>f</i> electron configuration of CeB~6~ at 340 and 535K
Acta Crystallographica Section B, 2008, 64, 534-549
2104216 CIF
HKL
Paper
B6 CeP m -3 m4.14918; 4.14918; 4.14918
90; 90; 90
71.431Makita, Ryoko; Tanaka, Kiyoaki; Ōnuki, Yoshichika
5<i>d</i> and 4<i>f</i> electron configuration of CeB~6~ at 340 and 535K
Acta Crystallographica Section B, 2008, 64, 534-549
2104217 CIF
Paper
C7 H14 I N5 S2C m c m15.18; 11.827; 8.375
90; 90; 90
1503.6Małuszyńska, H.; Czarnecki, P.; Fojud, Z.; Wasicki, J.
Redetermination of the structure and dielectric properties of bis(thiourea) pyridinium iodide ‒ a new ferroelectric inclusion compound
Acta Crystallographica Section B, 2008, 64, 567-572
2104218 CIF
Paper
C7 H14 I N5 S2C 2 c m15.022; 11.227; 8.341
90; 90; 90
1406.7Małuszyńska, H.; Czarnecki, P.; Fojud, Z.; Wasicki, J.
Redetermination of the structure and dielectric properties of bis(thiourea) pyridinium iodide ‒ a new ferroelectric inclusion compound
Acta Crystallographica Section B, 2008, 64, 567-572
2104219 CIF
Paper
C7 H14 I N5 S2P 21 c n14.86; 11.291; 8.307
90; 90; 90
1393.8Małuszyńska, H.; Czarnecki, P.; Fojud, Z.; Wasicki, J.
Redetermination of the structure and dielectric properties of bis(thiourea) pyridinium iodide – a new ferroelectric inclusion compound
Acta Crystallographica Section B, 2008, 64, 567-572
2104220 CIF
Paper
C6 H12 OP 1 21/c 15.7877; 20.267; 15.971
90; 98.289; 90
1853.8Ibberson, Richard M.; Parsons, Simon; Allan, David R.; Bell, Anthony M. T.
Polymorphism in cyclohexanol
Acta Crystallographica Section B, 2008, 64, 573-582
2104221 CIF
Paper
C6 D12 OP -4 21 c10.53507; 10.535067; 10.53715
90; 90; 90
1169.49Ibberson, Richard M.; Parsons, Simon; Allan, David R.; Bell, Anthony M. T.
Polymorphism in cyclohexanol
Acta Crystallographica Section B, 2008, 64, 573-582
2104222 CIF
Paper
C6 D12 OP 1 c 112.0244; 6.362; 8.10998
90; 107.733; 90
590.93Ibberson, Richard M.; Parsons, Simon; Allan, David R.; Bell, Anthony M. T.
Polymorphism in cyclohexanol
Acta Crystallographica Section B, 2008, 64, 573-582
2104223 CIF
Paper
F4 N2 O2 WC m c m5.941; 14.4206; 7.1456
90; 90; 90
612.18Udovenko, Anatoly A.; Laptash, Natalia M.
Disorder in crystals of dioxofluorotungstates, (NH~4~)~2~WO~2~F~4~ and Rb~2~WO~2~F~4~
Acta Crystallographica Section B, 2008, 64, 645-651
2104224 CIF
Paper
F4 N2 O2 WP -15.9013; 14.1993; 7.7162
90.022; 112.466; 89.999
597.5Udovenko, Anatoly A.; Laptash, Natalia M.
Disorder in crystals of dioxofluorotungstates, (NH~4~)~2~WO~2~F~4~ and Rb~2~WO~2~F~4~
Acta Crystallographica Section B, 2008, 64, 645-651
2104225 CIF
Paper
F4 O2 Rb2 WP -3 m 16.0056; 6.0056; 4.8636
90; 90; 120
151.915Udovenko, Anatoly A.; Laptash, Natalia M.
Disorder in crystals of dioxofluorotungstates, (NH~4~)~2~WO~2~F~4~ and Rb~2~WO~2~F~4~
Acta Crystallographica Section B, 2008, 64, 645-651
2104226 CIF
Paper
Co2 O4 SiP n m a10.3005; 6.0028; 4.7816
90; 90; 90
295.655Sazonov, Andrew; Meven, Martin; Hutanu, Vladimir; Kaiser, Volker; Heger, Gernot; Trots, Dmytro; Merz, Michael
Structural behaviour of synthetic Co~2~SiO~4~ at low temperatures
Acta Crystallographica Section B, 2008, 64, 661-668
2104227 CIF
Paper
Co2 O4 SiP n m a10.2869; 5.9889; 4.7781
90; 90; 90
294.365Sazonov, Andrew; Meven, Martin; Hutanu, Vladimir; Kaiser, Volker; Heger, Gernot; Trots, Dmytro; Merz, Michael
Structural behaviour of synthetic Co~2~SiO~4~ at low temperatures
Acta Crystallographica Section B, 2008, 64, 661-668
2104228 CIF
Paper
Co2 O4 SiP n m a10.2864; 5.9872; 4.7785
90; 90; 90
294.292Sazonov, Andrew; Meven, Martin; Hutanu, Vladimir; Kaiser, Volker; Heger, Gernot; Trots, Dmytro; Merz, Michael
Structural behaviour of synthetic Co~2~SiO~4~ at low temperatures
Acta Crystallographica Section B, 2008, 64, 661-668
2104229 CIF
Paper
C11 H14 N4 O2 SP 1 21/c 110.9886; 12.6952; 9.6299
90; 104.535; 90
1300.4Kalinowska-Tłuścik, Justyna; Jarzembek, Krystyna; Śliwiński, Jan; Oleksyn, Barbara J.; Kozik, Violetta; Polański, Jarosław
Bitter sweeteners: tetrazole derivatives of arylsulfonylalcanoids – synthesis, structure and comparative study
Acta Crystallographica Section B, 2008, 64, 760-770
2104230 CIF
Paper
C9 H9 Cl N4 O2 SP 1 21/n 19.7121; 19.1953; 13.4438
90; 108.737; 90
2373.46Kalinowska-Tłuścik, Justyna; Jarzembek, Krystyna; Śliwiński, Jan; Oleksyn, Barbara J.; Kozik, Violetta; Polański, Jarosław
Bitter sweeteners: tetrazole derivatives of arylsulfonylalcanoids – synthesis, structure and comparative study
Acta Crystallographica Section B, 2008, 64, 760-770
2104231 CIF
Paper
C11 H14 N4 O3 SP 1 21/c 19.8188; 12.5801; 21.5687
90; 99.339; 90
2628.89Kalinowska-Tłuścik, Justyna; Jarzembek, Krystyna; Śliwiński, Jan; Oleksyn, Barbara J.; Kozik, Violetta; Polański, Jarosław
Bitter sweeteners: tetrazole derivatives of arylsulfonylalcanoids – synthesis, structure and comparative study
Acta Crystallographica Section B, 2008, 64, 760-770
2104232 CIF
Paper
C8 H8 N4 O2 SC 1 c 122.8887; 5.0315; 9.1377
90; 105.387; 90
1014.62Kalinowska-Tłuścik, Justyna; Jarzembek, Krystyna; Śliwiński, Jan; Oleksyn, Barbara J.; Kozik, Violetta; Polański, Jarosław
Bitter sweeteners: tetrazole derivatives of arylsulfonylalcanoids – synthesis, structure and comparative study
Acta Crystallographica Section B, 2008, 64, 760-770
2104233 CIF
Paper
C9 H8 Cl N O2 SP 1 21/n 17.077; 15.5895; 9.3409
90; 98.114; 90
1020.24Kalinowska-Tłuścik, Justyna; Jarzembek, Krystyna; Śliwiński, Jan; Oleksyn, Barbara J.; Kozik, Violetta; Polański, Jarosław
Bitter sweeteners: tetrazole derivatives of arylsulfonylalcanoids – synthesis, structure and comparative study
Acta Crystallographica Section B, 2008, 64, 760-770
2104234 CIF
HKL
Paper
C10 H36 N2 Ni O19P 1 21/c 111.95; 12.686; 15.988
90; 101.51; 90
2375Siegler, Maxime A.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt
The elusive [Ni(H~2~O)~2~(15-crown-5)]^2+^ cation and related co-crystals of nickel(II) hydrates and 15-crown-5
Acta Crystallographica Section B, 2008, 64, 725-737
2104235 CIF
HKL
Paper
C10 H34 N2 Ni O18B 1 21 116.176; 16.514; 17.876
90; 106.42; 90
4580.5Siegler, Maxime A.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt
The elusive [Ni(H~2~O)~2~(15-crown-5)]^2+^ cation and related co-crystals of nickel(II) hydrates and 15-crown-5
Acta Crystallographica Section B, 2008, 64, 725-737
2104236 CIF
HKL
Paper
C10 H34 N2 Ni O18P -116.036; 24.765; 10.163
89.71; 122.53; 83.58
3371.2Siegler, Maxime A.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt
The elusive [Ni(H~2~O)~2~(15-crown-5)]^2+^ cation and related co-crystals of nickel(II) hydrates and 15-crown-5
Acta Crystallographica Section B, 2008, 64, 725-737
2104237 CIF
HKL
Paper
C22 H68 N4 Ni2 O34P 1 21/n 116.241; 15.481; 10.429
90; 120.75; 90
2253.5Siegler, Maxime A.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt
The elusive [Ni(H~2~O)~2~(15-crown-5)]^2+^ cation and related co-crystals of nickel(II) hydrates and 15-crown-5
Acta Crystallographica Section B, 2008, 64, 725-737
2104238 CIF
HKL
Paper
C20 H56 N4 Ni2 O30P b c a15.352; 16.278; 30.716
90; 90; 90
7675.9Siegler, Maxime A.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt
The elusive [Ni(H~2~O)~2~(15-crown-5)]^2+^ cation and related co-crystals of nickel(II) hydrates and 15-crown-5
Acta Crystallographica Section B, 2008, 64, 725-737
2104239 CIF
HKL
Paper
C14 H30 N4 Ni O13P -112.144; 12.137; 16.039
90.12; 105.47; 90.04
2278.4Siegler, Maxime A.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt
The elusive [Ni(H~2~O)~2~(15-crown-5)]^2+^ cation and related co-crystals of nickel(II) hydrates and 15-crown-5
Acta Crystallographica Section B, 2008, 64, 725-737
2104240 CIF
HKL
Paper
C10 H24 N2 Ni O13P 1 21/c 114.676; 13.961; 25.552
90; 96.56; 90
5201.1Siegler, Maxime A.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt
The elusive [Ni(H~2~O)~2~(15-crown-5)]^2+^ cation and related co-crystals of nickel(II) hydrates and 15-crown-5
Acta Crystallographica Section B, 2008, 64, 725-737
2104241 CIF
HKL
Paper
C10 H24 Fe N2 O13B 1 21 114.507; 14.226; 68.39
90; 96.23; 90
14031Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~
Acta Crystallographica Section B, 2008, 64, 738-749
2104242 CIF
HKL
Paper
C10 H24 Mg N2 O13B 1 21 114.597; 14.135; 70.201
90; 96.95; 90
14378Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~
Acta Crystallographica Section B, 2008, 64, 738-749
2104243 CIF
HKL
Paper
C10 H24 N2 O13 ZnB 1 21 114.737; 14.05; 69.935
90; 96.99; 90
14373Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~
Acta Crystallographica Section B, 2008, 64, 738-749
2104244 CIF
HKL
Paper
C10 H24 N2 Ni O13C -114.719; 28.041; 10.704
90.2; 125.99; 89.87
3574.6Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~
Acta Crystallographica Section B, 2008, 64, 738-749
2104245 CIF
HKL
Paper
C10 H24 Cu N2 O13C -114.769; 27.924; 10.642
89.91; 125.88; 90.06
3556.1Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~
Acta Crystallographica Section B, 2008, 64, 738-749
2104246 CIF
HKL
Paper
C10 H24 Co N2 O13P 41 21 28.11; 8.11; 27.247
90; 90; 90
1792.1Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~
Acta Crystallographica Section B, 2008, 64, 738-749
2104247 CIF
Paper
C9 H10 O2P 1 21 16.3758; 7.1703; 8.6281
90; 100.64; 90
387.66Lemmerer, Andreas; Báthori, Nikoletta B.; Bourne, Susan A.
Chiral carboxylic acids and their effects on melting-point behaviour in co-crystals with isonicotinamide
Acta Crystallographica Section B, 2008, 64, 780-790

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