Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2100377 | CIF Paper | C15 H14 Br N3 O4 | P 1 21 1 | 7.359; 12.987; 8.159 90; 105.95; 90 | 749.7 | Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I. Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP Acta Crystallographica Section B, 2006, 62, 135-142 |
| 2100378 | CIF Paper | C15 H13 Br N2 O2 | P 21 21 21 | 8.851; 10.014; 15.895 90; 90; 90 | 1408.8 | Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I. Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP Acta Crystallographica Section B, 2006, 62, 135-142 |
| 2100379 | CIF Paper | C2 H5 N3 O S | P 1 21/c 1 | 7.2569; 7.4263; 9.593 90; 98.606; 90 | 511.2 | Munshi, Parthapratim; Thakur, T. S.; Guru Row, T. N.; Desiraju, G. R. Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study Acta Crystallographica Section B, 2006, 62, 118-127 |
| 2100380 | CIF Paper | C2 H5 N3 O S | P 1 21/c 1 | 7.2339; 7.3703; 9.4771 90; 98.426; 90 | 499.83 | Munshi, Parthapratim; Thakur, T. S.; Guru Row, T. N.; Desiraju, G. R. Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study Acta Crystallographica Section B, 2006, 62, 118-127 |
| 2100381 | CIF Paper | C2 H5 N3 O S | P 1 21/c 1 | 7.2359; 7.3713; 9.4768 90; 98.403; 90 | 500.05 | Munshi, Parthapratim; Thakur, T. S.; Guru Row, T. N.; Desiraju, G. R. Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study Acta Crystallographica Section B, 2006, 62, 118-127 |
| 2100382 | CIF Paper | C6 H5 N O3 | P 1 21/c 1 | 6.138; 8.874; 11.702 90; 103.05; 90 | 620.9 | Wójcik, Grażyna; Mossakowska, Izabela Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol Acta Crystallographica Section B, 2006, 62, 143-152 |
| 2100383 | CIF Paper | C6 H5 N O3 | P 1 21/c 1 | 6.136; 8.8; 11.481 90; 103.4; 90 | 603.1 | Wójcik, Grażyna; Mossakowska, Izabela Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol Acta Crystallographica Section B, 2006, 62, 143-152 |
| 2100384 | CIF Paper | C6 H5 N O3 | P 1 21/c 1 | 6.146; 8.903; 11.763 90; 103.09; 90 | 626.9 | Wójcik, Grażyna; Mossakowska, Izabela Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol Acta Crystallographica Section B, 2006, 62, 143-152 |
| 2100385 | CIF Paper | C6 H5 N O3 | P 1 21/n 1 | 3.774; 11.147; 14.695 90; 92.6; 90 | 617.6 | Wójcik, Grażyna; Mossakowska, Izabela Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol Acta Crystallographica Section B, 2006, 62, 143-152 |
| 2100386 | CIF Paper | C6 H5 N O3 | P 1 21/n 1 | 3.678; 11.091; 14.627 90; 92.75; 90 | 596 | Wójcik, Grażyna; Mossakowska, Izabela Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol Acta Crystallographica Section B, 2006, 62, 143-152 |
| 2100387 | CIF Paper | C6 H5 N O3 | P 1 21/n 1 | 3.831; 11.093; 14.835 90; 93.45; 90 | 629.3 | Wójcik, Grażyna; Mossakowska, Izabela Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol Acta Crystallographica Section B, 2006, 62, 143-152 |
| 2100388 | CIF Paper | Hf0.006 O1.968 Zr0.994 | P 42/n m c | 3.58651; 3.58651; 5.16658 90; 90; 90 | 66.458 | Yashima, Masatomo; Tsunekawa, Shin Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles Acta Crystallographica, Section B, 2006, 62, 161-164 |
| 2100389 | CIF Paper | ? | P 42/n m c :1 | 3.58651; 3.58651; 5.16658 90; 90; 90 | 66.46 | Yashima, Masatomo; Tsunekawa, Shin Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles Acta Crystallographica, Section B, 2006, 62, 161-164 |
| 2100390 | CIF Paper | C21 H9 D14 N S | P 1 21 1 | 8.5992; 10.1263; 10.0412 90; 98.364; 90 | 865.07 | Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state Acta Crystallographica Section B, 2006, 62, 153-160 |
| 2100391 | CIF Paper | C21 H9 D14 N S | P 1 21 1 | 8.7075; 10.2068; 10.0908 90; 99.909; 90 | 883.45 | Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state Acta Crystallographica Section B, 2006, 62, 153-160 |
| 2100392 | CIF Paper | C21 H9 D14 N S | P 1 21 1 | 8.9117; 10.5512; 10.3463 90; 102.589; 90 | 949.5 | Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state Acta Crystallographica Section B, 2006, 62, 153-160 |
| 2100393 | CIF Paper | H8.6 K2.6 Li9.4 O42.3 Si16 | P 1 21/m 1 | 6.56; 23.057; 6.978 90; 90.08; 90 | 1055.4 | Park, So-Hyun; Boysen, Hans; Parise, John B. Structural disorder of a new zeolite-like lithosilicate, K~2.6~Li~5.4~[Li~4~Si~16~O~38~]·4.3H~2~O Acta Crystallographica Section B, 2006, 62, 42-51 |
| 2100394 | CIF Paper | C48 H108 O20 P4 Re4 U | I -4 2 m | 15.5404; 15.5404; 14.8191 90; 90; 90 | 3578.9 | M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc) Acta Crystallographica Section B, 2006, 62, 68-85 |
| 2100395 | CIF Paper | C48 H108 O20 P4 Re4 U | C m c 21 | 21.5289; 21.9148; 14.8288 90; 90; 90 | 6996.3 | M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc) Acta Crystallographica Section B, 2006, 62, 68-85 |
| 2100396 | CIF Paper | C48 H108 O20 P4 Re4 U | C m c 21 | 21.4344; 21.7929; 14.7782 90; 90; 90 | 6903.2 | M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc) Acta Crystallographica Section B, 2006, 62, 68-85 |
| 2100397 | CIF Paper | C48 H108 O20 P4 Re4 U | C 1 c 1 | 21.4; 21.68; 14.78 90; 90; 90 | 6857 | M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc) Acta Crystallographica Section B, 2006, 62, 68-85 |
| 2100398 | CIF Paper | C48 H108 O20 P4 Re4 Th | I -4 2 m | 15.5577; 15.5577; 14.873 90; 90; 90 | 3599.9 | M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc) Acta Crystallographica Section B, 2006, 62, 68-85 |
| 2100399 | CIF Paper | C48 H108 O20 P4 Re4 Th | C m c 21 | 21.721; 21.738; 14.8793 90; 90; 90 | 7025.6 | M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc) Acta Crystallographica Section B, 2006, 62, 68-85 |
| 2100400 | CIF Paper | C48 H108 O20 P4 Re4 Th | C m c 21 | 21.61; 21.623; 14.8324 90; 90; 90 | 6930.8 | M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc) Acta Crystallographica Section B, 2006, 62, 68-85 |
| 2100401 | CIF Paper | C48 H108 O20 P4 Re4 Th | C m c 21 | 21.535; 21.548; 14.795 90; 90; 90 | 6865.4 | M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc) Acta Crystallographica Section B, 2006, 62, 68-85 |
| 2100402 | CIF Paper | C48 H108 O20 P4 Tc4 Th | I -4 3 m | 15.3423; 15.3423; 15.3423 90; 90; 90 | 3611.4 | M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc) Acta Crystallographica Section B, 2006, 62, 68-85 |
| 2100403 | CIF Paper | C48 H108 O20 P4 Tc4 Th | C m c 21 | 21.444; 21.582; 14.736 90; 90; 90 | 6819.9 | M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc) Acta Crystallographica Section B, 2006, 62, 68-85 |
| 2100404 | CIF Paper | C48 H108 O20 P4 Tc4 Th | P b c 21 | 21.417; 21.649; 14.848 90; 90; 90 | 6884 | M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc) Acta Crystallographica Section B, 2006, 62, 68-85 |
| 2100405 | CIF Paper | C48 H108 O20 P4 Tc4 Th | P b c 21 | 21.358; 21.651; 14.79 90; 90; 90 | 6839 | M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc) Acta Crystallographica Section B, 2006, 62, 68-85 |
| 2100406 | CIF Paper | C48 H108 O20 P4 Tc4 Th | P b c 21 | 21.386; 21.732; 14.82 90; 90; 90 | 6888 | M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc) Acta Crystallographica Section B, 2006, 62, 68-85 |
| 2100407 | CIF HKL Paper | Ce4 Cl0.92 N6.92 O3.16 Si4 | P 21 3 | 10.347; 10.347; 10.347 90; 90; 90 | 1107.8 | Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+<i>x~</i>N~7{-~<i>x</i>}]Cl~1{-~<i>x</i>}O~<i>x~</i>, <i>x</i> ≃0.2 Acta Crystallographica Section B, 2006, 62, 205-211 |
| 2100408 | CIF HKL Paper | Ce4 Cl0.93 N6.93 O3.14 Si4 | P 21 3 | 10.223; 10.223; 10.223 90; 90; 90 | 1068.4 | Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+<i>x~</i>N~7{-~<i>x</i>}]Cl~1{-~<i>x</i>}O~<i>x~</i>, <i>x</i> ≃0.2 Acta Crystallographica Section B, 2006, 62, 205-211 |
| 2100409 | CIF HKL Paper | Ce4 Cl0.93 N6.93 O3.14 Si4 | P 21 21 21 | 10.824; 10.479; 8.967 90; 90; 90 | 1017.1 | Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+<i>x~</i>N~7{-~<i>x</i>}]Cl~1{-~<i>x</i>}O~<i>x~</i>, <i>x</i> ≃0.2 Acta Crystallographica Section B, 2006, 62, 205-211 |
| 2100410 | CIF Paper | C42 H28 | C m c a | 26.789; 7.17; 14.211 90; 90; 90 | 2729.6 | Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B, 2006, 62, 330-334 |
| 2100411 | CIF Paper | C42 H28 | C m c a | 26.789; 7.173; 14.246 90; 90; 90 | 2737.5 | Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B, 2006, 62, 330-334 |
| 2100412 | CIF Paper | C42 H28 | C m c a | 26.775; 7.168; 14.258 90; 90; 90 | 2736.4 | Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B, 2006, 62, 330-334 |
| 2100413 | CIF Paper | C42 H28 | C m c a | 26.828; 7.181; 14.306 90; 90; 90 | 2756.1 | Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B, 2006, 62, 330-334 |
| 2100414 | CIF Paper | C42 H28 | C m c a | 26.838; 7.181; 14.332 90; 90; 90 | 2762.1 | Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B, 2006, 62, 330-334 |
| 2100415 | CIF Paper | C42 H28 | C m c a | 26.818; 7.174; 14.348 90; 90; 90 | 2760.4 | Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B, 2006, 62, 330-334 |
| 2100416 | CIF Paper | C42 H28 | C m c a | 26.938; 7.211; 14.461 90; 90; 90 | 2809 | Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B, 2006, 62, 330-334 |
| 2100417 | CIF Paper | C42 H28 | C m c a | 26.86; 7.193; 14.433 90; 90; 90 | 2788.5 | Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M. Low-temperature structure of rubrene single crystals grown by vapor transport Acta Crystallographica Section B, 2006, 62, 330-334 |
| 2100418 | CIF Paper | C18 H18 Cl2 N2 O4 Sn | P -1 | 7.1204; 12.5017; 12.578 114.424; 92.562; 104.354 | 973.78 | Somphon, Weenawan; Haller, Kenneth J.; Ng, Seik Weng; Rae, A. David Packing and polytypism in 1,10-phenanthrolin-1-ium (2-carboxyethyl)(2-carboxylatoethyl)dichlorostannate(IV) Acta Crystallographica Section B, 2006, 62, 255-261 |
| 2100419 | CIF Paper | C3 H7 N O2 S | P 21 21 21 | 8.1109; 12.1621; 5.421 90; 90; 90 | 534.76 | Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV Acta Crystallographica Section B, 2006, 62, 296-309 |
| 2100420 | CIF Paper | C3 H7 N O2 S | P 21 21 21 | 7.4146; 12; 5.3318 90; 90; 90 | 474.4 | Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV Acta Crystallographica Section B, 2006, 62, 296-309 |
| 2100421 | CIF Paper | C3 H7 N O2 S | P 21 21 21 | 8.0558; 10.4883; 5.3471 90; 90; 90 | 451.79 | Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV Acta Crystallographica Section B, 2006, 62, 296-309 |
| 2100422 | CIF Paper | C3 H7 N O2 S | P 21 21 21 | 7.9981; 10.2976; 5.284 90; 90; 90 | 435.2 | Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV Acta Crystallographica Section B, 2006, 62, 296-309 |
| 2100423 | CIF Paper | C3 H7 N O2 S | P 1 21 1 | 8.105; 5.442; 10.916 90; 94.897; 90 | 479.7 | Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV Acta Crystallographica Section B, 2006, 62, 296-309 |
| 2100424 | CIF Paper | C21 H45 F6 N4 Ni O6 P | P 21 3 | 14.008; 14.008; 14.008 90; 90; 90 | 2748.7 | Farrugia, L. J.; Frampton, C. S.; Howard, J. A. K.; Mallinson, P. R.; Peacock, R. D.; Smith, G. T.; Stewart, B. Experimental charge-density study on the nickel(II) coordination complex [Ni(H~3~<i>L</i>)][NO~3~][PF~6~] [H~3~<i>L</i> = <i>N</i>,<i>N</i>',<i>N</i>''-tris(2-hydroxy-3-methylbutyl)-1,4,7-triazacyclononane]: a reappraisal Acta Crystallographica Section B, 2006, 62, 236-244 |
| 2100425 | CIF Paper | C16 H26 O6 | P 31 | 18.685; 18.685; 12.2539 90; 90; 120 | 3705.03 | A. David Rae; Anthony C. Willis; David T. Loong; Martin G. Banwell (<i>Z</i>,2<i>R</i>,3<i>R</i>,4a<i>R</i>,7<i>R</i>,12a<i>S</i>)-2,3,7,8,12,12a-Hexahydro-2,3-dimethoxy-2,3,7-trimethyl-4a<i>H</i>-[1,4]dioxino[2,3-<i>c</i>]oxecin-5(11<i>H</i>)-one: a commensurate occupationally modulated structure revealing a condition for diffraction symmetry enhancement for non-parent reflections Acta Crystallographica Section B, 2006, 62, 262-267 |
| 2100426 | CIF Paper | Ba1.117 Ni0.117 O3 Rh0.883 | R-3m(00\g)0s | 10.0576; 10.0576; 2.5862 90; 90; 120 | 226.56 | Schönleber, Andreas; Zúñiga, F. Javier; Perez-Mato, J. Manuel; Darriet, Jacques; zur Loye, Hans-Conrad Description of Ba~1+<i>x~</i>Ni~<i>x~</i>Rh~1{-~<i>x</i>}O~3~ with <i>x</i> = 0.1170(5) in superspace: modulated composite <i>versus</i> modulated-layer structure Acta Crystallographica Section B, 2006, 62, 197-204 |
| 2100427 | CIF Paper | Ba Ni0.105 O2.686 Rh0.791 | X-3c1(00\g)000 | 10.0576; 10.0576; 4.6306 90; 90; 120 | 405.65 | Schönleber, Andreas; Zúñiga, F. Javier; Perez-Mato, J. Manuel; Darriet, Jacques; zur Loye, Hans-Conrad Description of Ba~1+<i>x~</i>Ni~<i>x~</i>Rh~1{-~<i>x</i>}O~3~ with <i>x</i> = 0.1170(5) in superspace: modulated composite <i>versus</i> modulated-layer structure Acta Crystallographica Section B, 2006, 62, 197-204 |
| 2100428 | CIF HKL Paper | Ba0.38 K0.085 Na0.07 Nb2 O6 Sr0.56 | X4bm | 12.4375; 12.4375; 7.8807 90; 90; 90 | 1219.08 | Surmin, Audrey; Fertey, Pierre; Schaniel, Dominik; Woike, Theo Modulated structure of potassium sodium strontium barium niobates (KNSBN): harmonic solution Acta Crystallographica Section B, 2006, 62, 228-235 |
| 2100429 | CIF HKL Paper | Ba0.26 K0.09 Na0.08 Nb2 O6 Sr0.67 | X4bm | 12.4292; 12.4292; 7.8524 90; 90; 90 | 1213.08 | Surmin, Audrey; Fertey, Pierre; Schaniel, Dominik; Woike, Theo Modulated structure of potassium sodium strontium barium niobates (KNSBN): harmonic solution Acta Crystallographica Section B, 2006, 62, 228-235 |
| 2100430 | CIF Paper | Cl6 N3 P3 | P n m a | 13.8572; 12.8086; 6.0801 90; 90; 90 | 1079.17 | Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives Acta Crystallographica Section B, 2006, 62, 321-329 |
| 2100431 | CIF Paper | C4 H10 Cl5 N4 P3 | P 1 21/c 1 | 13.8045; 10.7964; 20.7719 90; 104.132; 90 | 3002.1 | Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives Acta Crystallographica Section B, 2006, 62, 321-329 |
| 2100432 | CIF Paper | C8 H20 Cl4 N5 P3 | P n a 21 | 20.3441; 11.9481; 15.9661 90; 90; 90 | 3880.9 | Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives Acta Crystallographica Section B, 2006, 62, 321-329 |
| 2100433 | CIF Paper | C16 H40 Cl2 N7 P3 | P 1 21/n 1 | 12.5207; 16.1282; 13.1311 90; 95.903; 90 | 2637.59 | Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives Acta Crystallographica Section B, 2006, 62, 321-329 |
| 2100434 | CIF Paper | C4 H8 N2 O3 | P 1 21/c 1 | 8.1233; 9.554; 7.8224 90; 107.596; 90 | 578.7 | Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure Acta Crystallographica Section B, 2006, 62, 310-320 |
| 2100435 | CIF Paper | C4 H8 N2 O3 | P 1 21/c 1 | 7.6428; 9.38; 7.6505 90; 103.882; 90 | 532.44 | Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure Acta Crystallographica Section B, 2006, 62, 310-320 |
| 2100436 | CIF Paper | C4 H8 N2 O3 | P 1 21/c 1 | 7.4304; 9.2896; 7.5943 90; 102.465; 90 | 511.84 | Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure Acta Crystallographica Section B, 2006, 62, 310-320 |
| 2100437 | CIF Paper | C4 H8 N2 O3 | P 1 21/c 1 | 7.31; 9.232; 7.55 90; 101.51; 90 | 499.3 | Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure Acta Crystallographica Section B, 2006, 62, 310-320 |
| 2100438 | CIF Paper | C4 H8 N2 O3 | P 1 21/c 1 | 7.2437; 9.2083; 7.5328 90; 101.214; 90 | 492.86 | Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure Acta Crystallographica Section B, 2006, 62, 310-320 |
| 2100439 | CIF Paper | C27.5 H36.5 Co1.5 N2.5 O9.5 | C 1 2/c 1 | 33.311; 9.834; 18.296 90; 92.35; 90 | 5988 | Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn Acta Crystallographica Section B, 2006, 62, 245-254 |
| 2100440 | CIF Paper | C27.5 H36.5 N2.5 O9.5 Zn1.5 | C 1 2/c 1 | 33.2613; 9.7844; 18.2156 90; 92.613; 90 | 5921.96 | Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn Acta Crystallographica Section B, 2006, 62, 245-254 |
| 2100441 | CIF Paper | C27.5 H36.5 N2.5 O9.5 Zn1.5 | C 1 2/c 1 | 33.3307; 9.8105; 18.1988 90; 92.552; 90 | 5944.94 | Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn Acta Crystallographica Section B, 2006, 62, 245-254 |
| 2100442 | CIF Paper | C27.5 H36.5 N2.5 O9.5 Zn1.5 | C 1 2/c 1 | 33.4193; 9.8455; 18.1908 90; 92.495; 90 | 5979.64 | Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn Acta Crystallographica Section B, 2006, 62, 245-254 |
| 2100443 | CIF Paper | C27.5 H36.5 N2.5 O9.5 Zn1.5 | C 1 2/c 1 | 33.5639; 9.8791; 18.1814 90; 92.35; 90 | 6023.54 | Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn Acta Crystallographica Section B, 2006, 62, 245-254 |
| 2100444 | CIF Paper | Ag13.034 As1.179 Cu2.966 S11 Sb0.821 | P -3 m 1 | 7.3876; 7.3876; 11.8882 90; 90; 120 | 561.89 | Bindi, Luca; Evain, Michel; Menchetti, Silvio Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~ Acta Crystallographica, Section B: Structural Science, 2006, 62, 212-219 |
| 2100445 | CIF Paper | Ag13.034 As1.179 Cu2.966 S11 Sb0.821 | P -3 m 1 | 7.3721; 7.3721; 11.8104 90; 90; 120 | 555.88 | Bindi, Luca; Evain, Michel; Menchetti, Silvio Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~ Acta Crystallographica Section B, 2006, 62, 212-219 |
| 2100446 | CIF Paper | Ag12.21 As1.194 Cu3.79 S11 Sb0.806 | P -3 m 1 | 7.389; 7.389; 11.816 90; 90; 120 | 558.69 | Bindi, Luca; Evain, Michel; Menchetti, Silvio Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~ Acta Crystallographica Section B, 2006, 62, 212-219 |
| 2100447 | CIF Paper | C6 H2 Cl4 | P -1 | 3.8016; 10.6369; 9.4866 92.072; 98.966; 96.52 | 375.91 | Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A. Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene Acta Crystallographica Section B, 2006, 62, 287-295 |
| 2100448 | CIF Paper | C6 Cl4 D2 | P -1 | 3.76062; 10.58794; 9.44562 92.4066; 98.6978; 97.5893 | 367.779 | Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A. Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene Acta Crystallographica Section B, 2006, 62, 287-295 |
| 2100449 | CIF Paper | C6 Cl4 D2 | P -1 | 3.799; 10.6258; 9.47938 91.978; 99.058; 96.234 | 375.132 | Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A. Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene Acta Crystallographica Section B, 2006, 62, 287-295 |
| 2100450 | CIF Paper | C6 Cl4 D2 | P 1 21/n 1 | 3.78988; 10.50328; 9.56244 90; 99.7184; 90 | 375.182 | Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A. Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene Acta Crystallographica Section B, 2006, 62, 287-295 |
| 2100451 | CIF Paper | C6 Cl4 D2 | P 1 21/n 1 | 3.81117; 10.53867; 9.57198 90; 99.7088; 90 | 378.949 | Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A. Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene Acta Crystallographica Section B, 2006, 62, 287-295 |
| 2100452 | CIF Paper | C6 Cl4 D2 | P 1 21/n 1 | 3.85595; 10.61473; 9.59283 90; 99.6884; 90 | 387.033 | Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A. Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene Acta Crystallographica Section B, 2006, 62, 287-295 |
| 2100453 | CIF Paper | Ce1.86 In8 Rh | P 4/m m m | 4.66516; 4.66516; 12.23763 90; 90; 90 | 266.336 | E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials Acta Crystallographica Section B, 2006, 62, 173-189 |
| 2100454 | CIF Paper | Rh | F m -3 m | 3.590966; 3.590966; 3.590966 90; 90; 90 | 46.3056 | E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials Acta Crystallographica Section B, 2006, 62, 173-189 |
| 2100455 | CIF Paper | Ce In3 | P m -3 m | 4.69074; 4.69074; 4.69074 90; 90; 90 | 103.211 | E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials Acta Crystallographica Section B, 2006, 62, 173-189 |
| 2100456 | CIF Paper | In | I 4/m m m | 3.25094; 3.25094; 4.9474 90; 90; 90 | 52.287 | E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials Acta Crystallographica Section B, 2006, 62, 173-189 |
| 2100457 | CIF Paper | C2 H6 O4 S | I 1 2/a 1 | 8.9007; 5.8099; 10.2451 90; 101.69; 90 | 518.81 | Acta Crystallographica, Section B, 2006, 62, 280-286 |
| 2100458 | CIF Paper | C2 H6 O4 S | F d d 2 | 12.0568; 15.9176; 5.8001 90; 90; 90 | 1113.13 | Acta Crystallographica, Section B, 2006, 62, 280-286 |
| 2100459 | CIF Paper | C2 D6 O4 S | I2/a | 8.68731; 5.82756; 9.94376 90; 100.44; 90 | 495.076 | Acta Crystallographica, Section B, 2006, 62, 280-286 |
| 2100460 | CIF Paper | C24 H38 N2 O6 | P 1 | 5.9642; 10.4125; 11.7403 108.175; 104.56; 104.087 | 628.08 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100461 | CIF Paper | C16 H25 N O5 | P 21 21 21 | 5.829; 13.544; 21.7 90; 90; 90 | 1713.17 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100462 | CIF Paper | C16 H21 N O4 S | P 1 21 1 | 5.7214; 20.8336; 6.9188 90; 98.409; 90 | 815.84 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100463 | CIF Paper | C22 H36 N2 O8 S2 | P 1 21 1 | 5.7108; 34.0651; 6.659 90; 90.09; 90 | 1295.43 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100464 | CIF Paper | C10 H15 N O | P 21 21 21 | 5.6851; 7.7047; 22.4819 90; 90; 90 | 984.75 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100465 | CIF Paper | C12 H21 N O4 S | P 21 21 21 | 5.4877; 11.9057; 22.639 90; 90; 90 | 1479.1 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100466 | CIF Paper | C12 H19 N O4 | P 1 21 1 | 9.5946; 6.0474; 10.8255 90; 101.607; 90 | 615.28 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100467 | CIF Paper | C10 H16 Cl N O | P 1 21 1 | 7.2557; 6.1228; 12.5486 90; 102.223; 90 | 544.84 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100468 | CIF Paper | C10 H16 N O1.5 | C 2 2 21 | 7.3639; 11.2551; 24.1442 90; 90; 90 | 2001.1 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100469 | CIF Paper | C14 H21 N O6 | P 1 21 1 | 6.1312; 9.1719; 13.7393 90; 100.909; 90 | 758.66 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100470 | CIF Paper | C14 H21 N O6 | P 21 21 21 | 5.637; 13.495; 20.525 90; 90; 90 | 1561.36 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100471 | CIF Paper | C11.5 H17 N O3 | C 1 2 1 | 15.119; 5.784; 13.8788 90; 105.765; 90 | 1168 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100472 | CIF Paper | C11 H19 N O4 S | C 1 2 1 | 14.287; 6.1075; 14.993 90; 93.211; 90 | 1306.2 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100473 | CIF Paper | C10 H16 N2 O4 | P 1 21 1 | 5.5309; 6.8501; 15.6906 90; 97.243; 90 | 589.73 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100474 | CIF Paper | C10 H18 N O5 P | C 1 2 1 | 14.6992; 5.6433; 15.2432 90; 97.333; 90 | 1254.11 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100475 | CIF Paper | C10 H17 N O5 S | C 1 2 1 | 30.9967; 6.9861; 5.617 90; 93.354; 90 | 1214.26 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100476 | CIF Paper | C14 H23 N O8 | P 21 21 21 | 6.622; 7.462; 33.216 90; 90; 90 | 1641.31 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
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