Crystallography Open Database

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2100345 CIF
Paper
C3 H9 Cl SiP m n 217.785; 6.43; 6.254
90; 90; 90
313.1Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak
Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs
Acta Crystallographica Section B, 2006, 62, 86-93
2100346 CIF
Paper
C3 H9 Cl SiP m n 217.768; 6.42; 6.233
90; 90; 90
310.8Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak
Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs
Acta Crystallographica Section B, 2006, 62, 86-93
2100347 CIF
Paper
C3 H9 Cl SiP m n 217.668; 6.34; 6.159
90; 90; 90
299.4Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak
Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs
Acta Crystallographica Section B, 2006, 62, 86-93
2100348 CIF
Paper
C6 H6P b c a7.287; 9.2; 6.688
90; 90; 90
448.4Budzianowski, Armand; Katrusiak, Andrzej
Pressure-frozen benzene I revisited
Acta Crystallographica Section B, 2006, 62, 94-101
2100349 CIF
Paper
C6 H6P b c a7.221; 9.05; 6.59
90; 90; 90
430.7Budzianowski, Armand; Katrusiak, Andrzej
Pressure-frozen benzene I revisited
Acta Crystallographica Section B, 2006, 62, 94-101
2100350 CIF
Paper
C6 H6P b c a7.243; 9.31; 6.756
90; 90; 90
455.6Budzianowski, Armand; Katrusiak, Andrzej
Pressure-frozen benzene I revisited
Acta Crystallographica Section B, 2006, 62, 94-101
2100351 CIF
Paper
C27 H33 N O3P 21 21 2111.757; 29.752; 6.5547
90; 90; 90
2292.8Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100352 CIF
Paper
C27 H33 N O3P 21 21 2111.7903; 29.728; 6.5519
90; 90; 90
2296.5Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100353 CIF
Paper
C27 H33 N O3P 21 21 2111.847; 29.649; 6.5443
90; 90; 90
2298.7Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100354 CIF
Paper
C27 H33 N O3P 21 21 2111.8971; 29.579; 6.535
90; 90; 90
2299.7Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100355 CIF
Paper
C27 H33 N O3P 21 21 2111.9628; 29.503; 6.5269
90; 90; 90
2303.6Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100356 CIF
Paper
C27 H33 N O3P 21 21 2112.053; 29.385; 6.5093
90; 90; 90
2305.4Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100357 CIF
Paper
C27 H33 N O3P 21 21 2112.14; 29.258; 6.4918
90; 90; 90
2305.8Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100358 CIF
Paper
C27 H33 N O3P 21 21 2112.364; 28.956; 6.4582
90; 90; 90
2312.1Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100359 CIF
Paper
C27 H33 N O3P 21 21 2112.4079; 28.861; 6.4428
90; 90; 90
2307.2Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100360 CIF
Paper
C27 H33 N O3P 21 21 2112.4288; 28.809; 6.4326
90; 90; 90
2303.3Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100361 CIF
Paper
C27 H33 N O3P 21 21 2112.4407; 28.779; 6.4272
90; 90; 90
2301.1Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100362 CIF
Paper
C27 H33 N O3P 21 21 2112.4509; 28.753; 6.4239
90; 90; 90
2299.8Acta Crystallographica, Section B, 2006, 62, 128-134
2100363 CIF
Paper
C27 H33 N O3P 21 21 2112.4537; 28.749; 6.424
90; 90; 90
2300Acta Crystallographica, Section B, 2006, 62, 128-134
2100364 CIF
Paper
Al0.1 Nd0.7 O3 Ti0.9C 1 2/m 17.67637; 7.64297; 7.71137
90; 90.042; 90
452.428Zhang, Zhaoming; Howard, Christopher J.; Knight, Kevin S.; Lumpkin, Gregory R.
Structures of the cation-deficient perovskite Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder diffraction in combination with group-theoretical analysis
Acta Crystallographica Section B, 2006, 62, 60-67
2100365 CIF
Paper
Al0.1 Nd0.7 O3 Ti0.9C m m m7.71021; 7.69428; 7.74755
90; 90; 90
459.62Zhang, Zhaoming; Howard, Christopher J.; Knight, Kevin S.; Lumpkin, Gregory R.
Structures of the cation-deficient perovskite Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder diffraction in combination with group-theoretical analysis
Acta Crystallographica Section B, 2006, 62, 60-67
2100366 CIF
HKL
Paper
C7 H3 Cl2 N OP -17.3325; 8.999; 12.221
78.65; 74.39; 74.23
740.7Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100367 CIF
HKL
Paper
C10 H6 Cl2 N OP -17.42; 8.386; 8.808
73.82; 66.99; 79.04
482.4Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100368 CIF
HKL
Paper
C9 H5.5 Cl2 N OP 1 21/n 14.5522; 15.067; 13.636
90; 98; 90
926.2Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100369 CIF
HKL
Paper
C7 H3 Br2 N OP -18.244; 9.12; 11.687
95.6; 108.55; 106.13
783.4Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100370 CIF
Paper
C7 H3 Br2 N OP -13.9684; 12.669; 16.047
79.68; 83.71; 83.06
784.7Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100371 CIF
Paper
C7 H3 I2 N OP -18.648; 9.393; 12.12
97.32; 109.86; 105.59
865.5Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100372 CIF
HKL
Paper
C7 H3 I2 N OP 1 21/c 115.657; 14.32; 7.724
90; 91.9; 90
1730.8Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100373 CIF
Paper
Al596 Cr156P 63/m m c32.3; 32.3; 12.4
90; 90; 120
11203.6Zhang, H.; He, Z.B.; Oleynikov, P.; Zou, X. D.; Hovmöller, S.; Kuo, K. H.
Structure model for the τ(μ) phase in Al‒Cr‒Si alloys deduced from the λ phase by the strong-reflections approach
Acta Crystallographica Section B, 2006, 62, 16-25
2100374 CIF
HKL
Paper
C10 H12 N5 O5 PP -18.9243; 10.72; 14.295
91.41; 100.75; 108.85
1266.2Ślósarek, G.; Kozak, M.; Gierszewski, J.; Pietraszko, A.
Structure of <i>N</i>^6^-furfurylaminopurine (kinetin) dihydrogenphosphate
Acta Crystallographica Section B, 2006, 62, 102-108
2100375 CIF
Paper
C10 H12 N5 O5 PP -14.4923; 10.736; 14.455
91; 100.92; 108.47
647Ślósarek, G.; Kozak, M.; Gierszewski, J.; Pietraszko, A.
Structure of <i>N</i>^6^-furfurylaminopurine (kinetin) dihydrogenphosphate
Acta Crystallographica Section B, 2006, 62, 102-108
2100376 CIF
Paper
C7 H7 Br N2 OP -17.269; 7.709; 8.403
67.01; 68.03; 72
394.61Plutecka, 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
2100377 CIF
Paper
C15 H14 Br N3 O4P 1 21 17.359; 12.987; 8.159
90; 105.95; 90
749.7Plutecka, 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 O2P 21 21 218.851; 10.014; 15.895
90; 90; 90
1408.8Plutecka, 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 SP 1 21/c 17.2569; 7.4263; 9.593
90; 98.606; 90
511.2Munshi, 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 SP 1 21/c 17.2339; 7.3703; 9.4771
90; 98.426; 90
499.83Munshi, 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 SP 1 21/c 17.2359; 7.3713; 9.4768
90; 98.403; 90
500.05Munshi, 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 O3P 1 21/c 16.138; 8.874; 11.702
90; 103.05; 90
620.9Wójcik, 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 O3P 1 21/c 16.136; 8.8; 11.481
90; 103.4; 90
603.1Wójcik, 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 O3P 1 21/c 16.146; 8.903; 11.763
90; 103.09; 90
626.9Wójcik, 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 O3P 1 21/n 13.774; 11.147; 14.695
90; 92.6; 90
617.6Wójcik, 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 O3P 1 21/n 13.678; 11.091; 14.627
90; 92.75; 90
596Wójcik, 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 O3P 1 21/n 13.831; 11.093; 14.835
90; 93.45; 90
629.3Wójcik, 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 Zr0.994P 42/n m c3.58651; 3.58651; 5.16658
90; 90; 90
66.458Yashima, 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 :13.58651; 3.58651; 5.16658
90; 90; 90
66.46Yashima, 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 SP 1 21 18.5992; 10.1263; 10.0412
90; 98.364; 90
865.07Hosoya, 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 SP 1 21 18.7075; 10.2068; 10.0908
90; 99.909; 90
883.45Hosoya, 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 SP 1 21 18.9117; 10.5512; 10.3463
90; 102.589; 90
949.5Hosoya, 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 Si16P 1 21/m 16.56; 23.057; 6.978
90; 90.08; 90
1055.4Park, 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 UI -4 2 m15.5404; 15.5404; 14.8191
90; 90; 90
3578.9M. 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 UC m c 2121.5289; 21.9148; 14.8288
90; 90; 90
6996.3M. 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 UC m c 2121.4344; 21.7929; 14.7782
90; 90; 90
6903.2M. 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 UC 1 c 121.4; 21.68; 14.78
90; 90; 90
6857M. 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 ThI -4 2 m15.5577; 15.5577; 14.873
90; 90; 90
3599.9M. 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 ThC m c 2121.721; 21.738; 14.8793
90; 90; 90
7025.6M. 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 ThC m c 2121.61; 21.623; 14.8324
90; 90; 90
6930.8M. 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 ThC m c 2121.535; 21.548; 14.795
90; 90; 90
6865.4M. 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 ThI -4 3 m15.3423; 15.3423; 15.3423
90; 90; 90
3611.4M. 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 ThC m c 2121.444; 21.582; 14.736
90; 90; 90
6819.9M. 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 ThP b c 2121.417; 21.649; 14.848
90; 90; 90
6884M. 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 ThP b c 2121.358; 21.651; 14.79
90; 90; 90
6839M. 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 ThP b c 2121.386; 21.732; 14.82
90; 90; 90
6888M. 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 Si4P 21 310.347; 10.347; 10.347
90; 90; 90
1107.8Friedrich, 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 Si4P 21 310.223; 10.223; 10.223
90; 90; 90
1068.4Friedrich, 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 Si4P 21 21 2110.824; 10.479; 8.967
90; 90; 90
1017.1Friedrich, 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 H28C m c a26.789; 7.17; 14.211
90; 90; 90
2729.6Jurchescu, 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 H28C m c a26.789; 7.173; 14.246
90; 90; 90
2737.5Jurchescu, 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 H28C m c a26.775; 7.168; 14.258
90; 90; 90
2736.4Jurchescu, 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 H28C m c a26.828; 7.181; 14.306
90; 90; 90
2756.1Jurchescu, 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 H28C m c a26.838; 7.181; 14.332
90; 90; 90
2762.1Jurchescu, 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 H28C m c a26.818; 7.174; 14.348
90; 90; 90
2760.4Jurchescu, 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 H28C m c a26.938; 7.211; 14.461
90; 90; 90
2809Jurchescu, 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 H28C m c a26.86; 7.193; 14.433
90; 90; 90
2788.5Jurchescu, 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 SnP -17.1204; 12.5017; 12.578
114.424; 92.562; 104.354
973.78Somphon, 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 SP 21 21 218.1109; 12.1621; 5.421
90; 90; 90
534.76Moggach, 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 SP 21 21 217.4146; 12; 5.3318
90; 90; 90
474.4Moggach, 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 SP 21 21 218.0558; 10.4883; 5.3471
90; 90; 90
451.79Moggach, 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 SP 21 21 217.9981; 10.2976; 5.284
90; 90; 90
435.2Moggach, 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 SP 1 21 18.105; 5.442; 10.916
90; 94.897; 90
479.7Moggach, 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 PP 21 314.008; 14.008; 14.008
90; 90; 90
2748.7Farrugia, 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 O6P 3118.685; 18.685; 12.2539
90; 90; 120
3705.03A. 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 Rh0.883R-3m(00\g)0s10.0576; 10.0576; 2.5862
90; 90; 120
226.56Schönleber, 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 Rh0.791X-3c1(00\g)00010.0576; 10.0576; 4.6306
90; 90; 120
405.65Schönleber, 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 Sr0.56X4bm12.4375; 12.4375; 7.8807
90; 90; 90
1219.08Surmin, 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 Sr0.67X4bm12.4292; 12.4292; 7.8524
90; 90; 90
1213.08Surmin, 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 P3P n m a13.8572; 12.8086; 6.0801
90; 90; 90
1079.17Bartlett, 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 P3P 1 21/c 113.8045; 10.7964; 20.7719
90; 104.132; 90
3002.1Bartlett, 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 P3P n a 2120.3441; 11.9481; 15.9661
90; 90; 90
3880.9Bartlett, 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 P3P 1 21/n 112.5207; 16.1282; 13.1311
90; 95.903; 90
2637.59Bartlett, 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 O3P 1 21/c 18.1233; 9.554; 7.8224
90; 107.596; 90
578.7Moggach, 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 O3P 1 21/c 17.6428; 9.38; 7.6505
90; 103.882; 90
532.44Moggach, 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 O3P 1 21/c 17.4304; 9.2896; 7.5943
90; 102.465; 90
511.84Moggach, 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 O3P 1 21/c 17.31; 9.232; 7.55
90; 101.51; 90
499.3Moggach, 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 O3P 1 21/c 17.2437; 9.2083; 7.5328
90; 101.214; 90
492.86Moggach, 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 O9.5C 1 2/c 133.311; 9.834; 18.296
90; 92.35; 90
5988Damgaard 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 Zn1.5C 1 2/c 133.2613; 9.7844; 18.2156
90; 92.613; 90
5921.96Damgaard 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 Zn1.5C 1 2/c 133.3307; 9.8105; 18.1988
90; 92.552; 90
5944.94Damgaard 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 Zn1.5C 1 2/c 133.4193; 9.8455; 18.1908
90; 92.495; 90
5979.64Damgaard 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 Zn1.5C 1 2/c 133.5639; 9.8791; 18.1814
90; 92.35; 90
6023.54Damgaard 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 Sb0.821P -3 m 17.3876; 7.3876; 11.8882
90; 90; 120
561.89Bindi, 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 Sb0.821P -3 m 17.3721; 7.3721; 11.8104
90; 90; 120
555.88Bindi, 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 Sb0.806P -3 m 17.389; 7.389; 11.816
90; 90; 120
558.69Bindi, 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 Cl4P -13.8016; 10.6369; 9.4866
92.072; 98.966; 96.52
375.91Barnett, 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 D2P -13.76062; 10.58794; 9.44562
92.4066; 98.6978; 97.5893
367.779Barnett, 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 D2P -13.799; 10.6258; 9.47938
91.978; 99.058; 96.234
375.132Barnett, 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 D2P 1 21/n 13.78988; 10.50328; 9.56244
90; 99.7184; 90
375.182Barnett, 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 D2P 1 21/n 13.81117; 10.53867; 9.57198
90; 99.7088; 90
378.949Barnett, 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 D2P 1 21/n 13.85595; 10.61473; 9.59283
90; 99.6884; 90
387.033Barnett, 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 RhP 4/m m m4.66516; 4.66516; 12.23763
90; 90; 90
266.336E. 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
RhF m -3 m3.590966; 3.590966; 3.590966
90; 90; 90
46.3056E. 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 In3P m -3 m4.69074; 4.69074; 4.69074
90; 90; 90
103.211E. 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
InI 4/m m m3.25094; 3.25094; 4.9474
90; 90; 90
52.287E. 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 SI 1 2/a 18.9007; 5.8099; 10.2451
90; 101.69; 90
518.81Acta Crystallographica, Section B, 2006, 62, 280-286
2100458 CIF
Paper
C2 H6 O4 SF d d 212.0568; 15.9176; 5.8001
90; 90; 90
1113.13Acta Crystallographica, Section B, 2006, 62, 280-286
2100459 CIF
Paper
C2 D6 O4 SI2/a8.68731; 5.82756; 9.94376
90; 100.44; 90
495.076Acta Crystallographica, Section B, 2006, 62, 280-286
2100460 CIF
Paper
C24 H38 N2 O6P 15.9642; 10.4125; 11.7403
108.175; 104.56; 104.087
628.08Edwin 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 O5P 21 21 215.829; 13.544; 21.7
90; 90; 90
1713.17Edwin 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 SP 1 21 15.7214; 20.8336; 6.9188
90; 98.409; 90
815.84Edwin 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 S2P 1 21 15.7108; 34.0651; 6.659
90; 90.09; 90
1295.43Edwin 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 OP 21 21 215.6851; 7.7047; 22.4819
90; 90; 90
984.75Edwin 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 SP 21 21 215.4877; 11.9057; 22.639
90; 90; 90
1479.1Edwin 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 O4P 1 21 19.5946; 6.0474; 10.8255
90; 101.607; 90
615.28Edwin 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 OP 1 21 17.2557; 6.1228; 12.5486
90; 102.223; 90
544.84Edwin 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 O1.5C 2 2 217.3639; 11.2551; 24.1442
90; 90; 90
2001.1Edwin 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 O6P 1 21 16.1312; 9.1719; 13.7393
90; 100.909; 90
758.66Edwin 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 O6P 21 21 215.637; 13.495; 20.525
90; 90; 90
1561.36Edwin 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 O3C 1 2 115.119; 5.784; 13.8788
90; 105.765; 90
1168Edwin 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 SC 1 2 114.287; 6.1075; 14.993
90; 93.211; 90
1306.2Edwin 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 O4P 1 21 15.5309; 6.8501; 15.6906
90; 97.243; 90
589.73Edwin 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 PC 1 2 114.6992; 5.6433; 15.2432
90; 97.333; 90
1254.11Edwin 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 SC 1 2 130.9967; 6.9861; 5.617
90; 93.354; 90
1214.26Edwin 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 O8P 21 21 216.622; 7.462; 33.216
90; 90; 90
1641.31Edwin 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
2100477 CIF
Paper
C24 H42 N2 O11P 15.9373; 7.0594; 18.3791
80.254; 88.527; 66.247
694.14Edwin 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
2100478 CIF
Paper
C17 H23 N O4 SP 21 21 215.7491; 7.1665; 42.0343
90; 90; 90
1731.85Edwin 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
2100479 CIF
Paper
C14 H26 O2P 1 21 15.54; 41.653; 12.025
90; 90.33; 90
2774.8Patrick, Brian O.; Brock, Carolyn Pratt
S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule
Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497
2100480 CIF
Paper
C14 H26 O2P 1 21 15.4816; 41.262; 11.954
90; 90.39; 90
2703.7Patrick, Brian O.; Brock, Carolyn Pratt
S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule
Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497
2100481 CIF
Paper
C14 H26 O2C 1 2/c 123.153; 11.852; 10.926
90; 104.64; 90
2900.9Patrick, Brian O.; Brock, Carolyn Pratt
S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule
Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497
2100482 CIF
Paper
C14 H26 O2C 1 2/c 123.161; 11.584; 10.973
90; 106.1; 90
2828.6Patrick, Brian O.; Brock, Carolyn Pratt
S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule
Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497
2100483 CIF
HKL
Paper
C5 H12 O4I -46.0867; 6.0867; 8.4958
90; 90; 90
314.752Elizabeth A.Zhurova; Vladimir G. Tsirelson; Vladimir V. Zhurov; Adam I. Stash; A. Alan Pinkerton
Chemical bonding in pentaerythritol at very low temperature or at high pressure: an experimental and theoretical study
Acta Crystallographica Section B, 2006, 62, 513-520
2100484 CIF
Paper
Ag14.52 Cu1.48 S11 Sb2P 3 2 115.0954; 15.0954; 11.8825
90; 90; 120
2344.9M. Evain; L. Bindi; S. Menchetti
Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)~16~(Sb,As)~2~S~11~
Acta Crystallographica Section B, 2006, 62, 447-456
2100485 CIF
Paper
Ag14.814 Cu1.186 S11 Sb2C 1 2/c 126.188; 15.1199; 23.784
90; 90; 90
9418M. Evain; L. Bindi; S. Menchetti
Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)~16~(Sb,As)~2~S~11~
Acta Crystallographica Section B, 2006, 62, 447-456
2100486 CIF
HKL
Paper
C22 H20 O3P21/c(\a0\g)007.2527; 24.951; 9.8959
90; 106.645; 90
1715.7Cyril A. Fuhre; Kurt Schenk; Robert Häner; Gervais Chapuis; Nicolas Guiblin; Helen Stoeckli-Evans
The incommensurately modulated structure of a tricyclic natural-product-like compound of empirical formula C~22~H~20~O~3~
Acta Crystallographica Section B, 2006, 62, 506-512
2100487 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 18.4637; 6.0176; 10.1812
90; 105.747; 90
499.08Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100488 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 110.2175; 6.0353; 8.486
90; 105.716; 90
503.73Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100489 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 18.407; 6.0038; 10.1607
90; 105.829; 90
493.4Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100490 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 18.3155; 5.9607; 10.1123
90; 106.021; 90
481.76Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100491 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 18.1889; 5.905; 10.01
90; 106.349; 90
464.47Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100492 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.9633; 5.7915; 9.8203
90; 106.933; 90
433.27Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100493 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.8667; 5.7418; 9.7349
90; 107.299; 90
419.83Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100494 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.8065; 5.7061; 9.6871
90; 107.409; 90
411.74Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100495 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.7447; 5.6735; 9.6219
90; 107.559; 90
403.08Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100496 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.6626; 5.6223; 9.5448
90; 107.815; 90
391.49Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100497 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.6343; 5.6073; 9.5122
90; 107.911; 90
387.46Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100498 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.5999; 5.5911; 9.4814
90; 107.995; 90
383.17Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100499 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.5511; 5.5626; 9.4311
90; 108.221; 90
376.28Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100500 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.5316; 5.553; 9.4148
90; 108.253; 90
373.94Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100501 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 17.5335; 5.5545; 9.4126
90; 108.256; 90
374.04Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479
2100502 CIF
Paper
C15 H16 N2 O2P 1 21/n 14.001; 25.09; 12.94
90; 93.65; 90
1296Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich
X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer
Acta Crystallographica Section B, 2006, 62, 480-487
2100503 CIF
Paper
C22 H21 N3 O6P -17.683; 12.188; 12.562
114.88; 99.61; 96.03
1031.8Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich
X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer
Acta Crystallographica Section B, 2006, 62, 480-487
2100504 CIF
Paper
C9 H12 N2 O2P 1 21/c 111.046; 4.8739; 18.027
90; 106.728; 90
929.5Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich
X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer
Acta Crystallographica Section B, 2006, 62, 480-487
2100505 CIF
Paper
C16 H17 N3 O6P 1 21/c 17.113; 11.797; 18.314
90; 94.644; 90
1531.7Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich
X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer
Acta Crystallographica Section B, 2006, 62, 480-487
2100506 CIF
Paper
C2 Ca F6 O6 S2R -3 :H5.60549; 5.605486; 31.1417
90; 90; 120
847.42Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin
Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data
Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473
2100507 CIF
Paper
C2 Cu F6 O6 S2P -14.98965; 10.7668; 4.82189
103.523; 118.085; 79.459
221.402Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin
Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data
Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473
2100508 CIF
Paper
C2 F6 O6 S2 ZnR -3 :H4.97873; 4.97873; 31.3165
90; 90; 120
672.27Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin
Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data
Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473
2100509 CIF
Paper
C2 F6 Mg O6 S2R -3 :H5.0494; 5.0494; 31.033
90; 90; 120
685.23Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin
Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data
Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473
2100510 CIF
Paper
C2 Ba F6 O6 S2I 1 2/a 121.7505; 4.90797; 9.6949
90; 100.379; 90
1018.01Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin
Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data
Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473
2100511 CIF
Paper
Na2 O7 Si3C2/c(0\b0)s020.416; 6.4987; 4.9294
90; 90.26; 90
654Krüger, Hannes; Kahlenberg, Volker; Friese, Karen
Na~2~Si~3~O~7~: an incommensurate structure with crenel-type modulation functions, refined from a twinned crystal
Acta Crystallographica Section B, 2006, 62, 440-446
2100512 CIF
Paper
Ba2 Nb O6 YF m -3 m8.44114; 8.44114; 8.44114
90; 90; 90
601.455Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.
Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry
Acta Crystallographica Section B, 2006, 62, 384-396
2100513 CIF
Paper
Al Ca2 Nb O6P 1 21/n 15.37706; 5.41557; 7.6255
90; 89.97; 90
222.053Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.
Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry
Acta Crystallographica Section B, 2006, 62, 384-396
2100514 CIF
Paper
Ca2 Cr O6 TaP 1 21/n 15.42609; 5.49922; 7.71863
90; 90.017; 90
230.318Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.
Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry
Acta Crystallographica Section B, 2006, 62, 384-396
2100515 CIF
Paper
Cr O6 Sr2 TaI 4/m5.57516; 5.57516; 7.8808
90; 90; 90
244.954Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.
Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry
Acta Crystallographica Section B, 2006, 62, 384-396
2100516 CIF
Paper
Ga O6 Sr2 TaI 4/m5.57539; 5.57539; 7.8949
90; 90; 90
245.413Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.
Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry
Acta Crystallographica Section B, 2006, 62, 384-396
2100517 CIF
Paper
Nb O6 Sc Sr2P 1 21/n 15.7045; 5.6973; 8.0505
90; 90.021; 90
261.643Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M.
Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry
Acta Crystallographica Section B, 2006, 62, 384-396
2100518 CIF
HKL
Paper
C4 H7 N O2P 1 21 16.27983; 7.83799; 5.46295
90; 114.893; 90
243.913Asiloé J. Mora; Michella Brunelli; Andrew N. Fitch; Jonathan Wright; Maria E. Báez; Francisco López-Carrasquero
Structures of (<i>S</i>)-({-})-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data
Acta Crystallographica Section B, 2006, 62, 606-611
2100519 CIF
HKL
Paper
C4 H5 N O3P 21 21 218.94684; 7.66956; 7.27555
90; 90; 90
499.236Asiloé J. Mora; Michella Brunelli; Andrew N. Fitch; Jonathan Wright; Maria E. Báez; Francisco López-Carrasquero
Structures of (<i>S</i>)-({-})-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data
Acta Crystallographica Section B, 2006, 62, 606-611
2100520 CIF
HKL
Paper
C6 D7 N OI 41/a m d :27.9411; 7.9411; 19.6002
90; 90; 90
1236.01Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F.
Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature
Acta Crystallographica Section B, 2006, 62, 627-633
2100521 CIF
HKL
Paper
C6 D7 N OF d d d :212.1382; 10.2367; 19.5676
90; 90; 90
2431.37Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F.
Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature
Acta Crystallographica Section B, 2006, 62, 627-633
2100522 CIF
HKL
Paper
C6 D7 N OP 4115.41038; 15.41038; 19.68
90; 90; 90
4673.6Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F.
Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature
Acta Crystallographica Section B, 2006, 62, 627-633
2100523 CIF
Paper
C9 H14 N2 O2 SP -17.2934; 7.8145; 10.2181
87.055; 70.569; 72.898
524.22V. Tsirelson; A. Stash; V. Potemkin; A. Rykounov; A. Shutalev; E. Zhurova; V. Zhurov; A. A. Pinkerton; G. Gurskaya; V. Zavodnik
Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities
Acta Crystallographica Section B, 2006, 62, 676-688
2100524 CIF
Paper
C5 H4 N4 OC 1 2/c 122.0427; 3.9311; 14.234
90; 114.885; 90
1118.89Harriott Nowell; Christopher S. Frampton; Julie Waite; Sarah L. Price
Blind crystal structure prediction of a novel second polymorph of 1-hydroxy-7-azabenzotriazole
Acta Crystallographica Section B, 2006, 62, 642-650
2100525 CIF
Paper
C5 H4 N4 OP 1 21/c 13.7487; 20.8881; 7.0982
90; 96.257; 90
552.5Harriott Nowell; Christopher S. Frampton; Julie Waite; Sarah L. Price
Blind crystal structure prediction of a novel second polymorph of 1-hydroxy-7-azabenzotriazole
Acta Crystallographica Section B, 2006, 62, 642-650
2100526 CIF
Paper
C14 H10 N4 O4P 1 21/n 19.1379; 6.1776; 11.7682
90; 93.853; 90
662.82Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.
Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes
Acta Crystallographica Section B, 2006, 62, 666-675
2100527 CIF
Paper
C14 H10 N4 O4P 1 21/c 17.7809; 14.7825; 6.2196
90; 113.106; 90
658Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.
Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes
Acta Crystallographica Section B, 2006, 62, 666-675
2100528 CIF
Paper
C14 H10 N4 O4P 1 21 17.8036; 7.0914; 12.3424
90; 101.742; 90
668.72Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.
Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes
Acta Crystallographica Section B, 2006, 62, 666-675
2100529 CIF
Paper
C14 H10 N4 O4P 1 21/n 17.0128; 7.6318; 12.8037
90; 105.825; 90
659.29Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.
Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes
Acta Crystallographica Section B, 2006, 62, 666-675
2100530 CIF
Paper
C14 H10 N4 O4C 1 2/c 130.865; 4.766; 21.736
90; 123.926; 90
2653.1Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.
Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes
Acta Crystallographica Section B, 2006, 62, 666-675
2100531 CIF
Paper
C14 H10 N4 O4P 1 21/n 13.7318; 7.2442; 23.9367
90; 94.053; 90
645.48Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.
Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes
Acta Crystallographica Section B, 2006, 62, 666-675
2100532 CIF
Paper
C12 H9 Cl N2 OP c c n13.2296; 21.0744; 7.6898
90; 90; 90
2144Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100533 CIF
Paper
C13 H11 Cl N2 OP -19.6824; 11.3082; 11.5139
77.453; 73.445; 87.978
1179.07Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100534 CIF
Paper
C12 H10 Cl F N2 O2P -16.8033; 8.1303; 11.5356
84.032; 84.297; 69.569
593.32Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100535 CIF
Paper
C12 H8 Cl2 N2 OP 1 21 15.0855; 28.982; 15.607
90; 90.37; 90
2300.2Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100536 CIF
Paper
C12 H8 Br Cl N2 OP 21 21 214.881; 13.3448; 18.3974
90; 90; 90
1198.33Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100537 CIF
Paper
C12 H8 Cl I N2 OP b c a10.6597; 25.9833; 9.2044
90; 90; 90
2549.38Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100538 CIF
Paper
C13 H11 Cl N2 O2P 21 21 214.8536; 11.8437; 21.0612
90; 90; 90
1210.69Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100539 CIF
Paper
C13 H8 Cl N3 OP -17.2885; 7.7607; 20.8849
96.456; 92.913; 91.81
1171.49Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.
Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions
Acta Crystallographica Section B, 2006, 62, 651-665
2100540 CIF
Paper
Ca2 Co0.9 O7 Si2 Zn0.1P -423.518; 23.518; 5.0263
90; 90; 90
2780Jia, Zihong. H.; Schaper, Andreas K.; Massa, Werner; Rager, Helmut
Structure and Phase Transitions in Ca~2~CoSi~2~O~7~ ‒ Ca~2~ZnSi~2~O~7~ Solid Solution Crystals
Acta Crystallographica, Section B, 2006, 62, 547-555
2100541 CIF
Paper
Ca2 Co0.9 O7 Si2 Zn0.1P 21 21 223.518; 23.518; 5.0263
90; 90; 90
2780Jia, Zihong. H.; Schaper, Andreas K.; Massa, Werner; Rager, Helmut
Structure and Phase Transitions in Ca~2~CoSi~2~O~7~ ‒ Ca~2~ZnSi~2~O~7~ Solid Solution Crystals
Acta Crystallographica, Section B, 2006, 62, 547-555
2100542 CIF
Paper
C18 H14 Cl N8 O2.5P -16.9825; 15.7877; 17.878
100.232; 95.906; 100.567
1887.81V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli
Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists
Acta Crystallographica Section B, 2006, 62, 634-641
2100543 CIF
Paper
C22 H22 N8 O3P 1 21/c 111.2816; 24.0888; 8.1651
90; 103.917; 90
2153.81V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli
Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists
Acta Crystallographica Section B, 2006, 62, 634-641
2100544 CIF
Paper
C26 H30 N8 O5P -112.6218; 14.0932; 15.6948
72.867; 71.328; 70.635
2439.15V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli
Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists
Acta Crystallographica Section B, 2006, 62, 634-641
2100545 CIF
Paper
C20 H20 N8 O4 SP -110.149; 10.5112; 11.4025
110.185; 97.964; 99.651
1099.89V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli
Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists
Acta Crystallographica Section B, 2006, 62, 634-641
2100546 CIF
Paper
C4 H4 N2 O SP -14.2427; 5.9648; 10.5801
105.736; 94.912; 91.927
256.32Munshi, Parthapratim; Guru Row, T. N.
Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis
Acta Crystallographica Section B, 2006, 62, 612-626
2100547 CIF
Paper
C4 H7 N3 O2P 1 21/c 17.7161; 9.8337; 7.5131
90; 100.523; 90
560.49Munshi, Parthapratim; Guru Row, T. N.
Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis
Acta Crystallographica Section B, 2006, 62, 612-626
2100548 CIF
Paper
C7 H6 O3P 1 21/c 14.8818; 11.2009; 11.2335
90; 92.621; 90
613.61Munshi, Parthapratim; Guru Row, T. N.
Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis
Acta Crystallographica Section B, 2006, 62, 612-626
2100549 CIF
Paper
Cr2 O7 P2C2/m(\a0\g)0s7.0192; 8.4063; 4.6264
90; 108.611; 90
258.708Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert
The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate
Acta Crystallographica Section B, 2006, 62, 556-566
2100550 CIF
Paper
Cr2 O7 P2C2/m(\a0\g)0s7.0464; 8.4073; 4.6394
90; 108.708; 90
260.322Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert
The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate
Acta Crystallographica Section B, 2006, 62, 556-566
2100551 CIF
HKL
Paper
Cr2 O7 P2I 1 2/c 121.1392; 8.4073; 9.2788
90; 108.708; 90
1561.93Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert
The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate
Acta Crystallographica Section B, 2006, 62, 556-566
2100552 CIF
Paper
C5 H6 N2 O SeP 1 21/c 14.3411; 14.756; 9.69
90; 90.157; 90
620.71C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100553 CIF
Paper
C6 H8 N2 O SeP -18.394; 10.029; 14.931
101.023; 100.893; 105.705
1148.5C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100554 CIF
Paper
C7 H10 N2 O SeP b c a10.568; 11.257; 28.79
90; 90; 90
3425C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100555 CIF
Paper
C7 H10 N2 O SeP -18.9192; 10.6403; 15.1965
106.019; 105.366; 96.166
1311C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100556 CIF
Paper
C8 H12 Cl2 N2 O SeP -18.841; 11.259; 12.424
90.45; 105.35; 92.945
1190.7C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100557 CIF
Paper
C7 H10 I2 N2 O SeP -16.603; 7.7; 13.037
75.969; 86.808; 73.113
615.3C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100558 CIF
Paper
C24 H30 N8 O6 Se2P -14.833; 9.797; 14.1796
83.49; 84.431; 89.353
663.91C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100559 CIF
Paper
C28 H34 N8 O4 Se2P -15.0717; 11.8615; 11.9385
83.161; 82.785; 84.358
704.9C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100560 CIF
Paper
C7 H10 N2 O2R -3 :H19.9444; 19.9444; 9.8918
90; 90; 120
3407.6C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson
Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives
Acta Crystallographica Section B, 2006, 62, 580-591
2100561 CIF
Paper
La O3 Ti0.5 Zn0.5P 1 21/n 17.895; 5.5964; 5.5809
90; 90.034; 90
246.584R. Ubic; Y. Hu; I. Abrahams
Neutron and electron diffraction studies of La(Zn~1/2~Ti~1/2~)O~3~ perovskite
Acta Crystallographica Section B, 2006, 62, 521-529
2100562 CIF
Paper
C6 D10 OP 1 21/n 111.7105; 7.1198; 6.8621
90; 95.5627; 90
569.443R. M. Ibberson
The low-temperature phase III structure and phase transition behaviour of cyclohexanone
Acta Crystallographica Section B, 2006, 62, 592-598
2100563 CIF
Paper
C4 H10 OP -317.55; 17.55; 8.08
90; 90; 120
2155P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
Acta Crystallographica, Section B, 2006, 62, 599-605
2100564 CIF
Paper
C4 H10 OP -318.0946; 18.0946; 8.4041
90; 90; 120
2383P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C~4~H~10~O)
Acta Crystallographica Section B, 2006, 62, 599-605
2100565 CIF
Paper
C4 H10 OP -16.0631; 9.0661; 14.4494
85.248; 78.531; 75.8
754.136P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
Acta Crystallographica, Section B, 2006, 62, 599-605
2100566 CIF
Paper
C4 H10 OP -16.2027; 9.1431; 14.7554
86.373; 78.776; 76.363
797.53P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
Acta Crystallographica, Section B, 2006, 62, 599-605
2100567 CIF
Paper
C4 H10 OP -317.4389; 17.4389; 8.021
90; 90; 120
2112.5P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
Acta Crystallographica, Section B, 2006, 62, 599-605
2100568 CIF
Paper
C4 H10 OP -317.5898; 17.5898; 8.1014
90; 90; 120
2170.76P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark
Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O)
Acta Crystallographica, Section B, 2006, 62, 599-605
2100569 CIF
Paper
Ba Bi O3P 1 21/n 16.1741; 6.12484; 8.6522
90; 90.2691; 90
327.183Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2100570 CIF
Paper
Ba Bi O3I 1 2/m 16.18505; 6.13219; 8.65846
90; 90.2288; 90
328.395Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2100571 CIF
Paper
Ba Bi O3R -3 :H6.17944; 6.17944; 15.0393
90; 90; 120
497.344Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2100572 CIF
Paper
Ba Bi O3F m -3 m8.77586; 8.77586; 8.77586
90; 90; 90
675.879Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2100573 CIF
Paper
Ba2 Bi O6 SbI 1 2/m 16.06777; 6.01862; 8.50818
90; 90.2161; 90
310.713Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2100574 CIF
Paper
Ba2 Bi O6 SbR -3 :H6.05716; 6.05716; 14.7813
90; 90; 120
469.658Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2100575 CIF
Paper
Ba2 Bi O6 SbF m -3 m8.5793; 8.57934; 8.57934
90; 90; 90
631.48Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2100576 CIF
Paper
C12 H15 N3 O6P 63/m10.9992; 10.9992; 6.7639
90; 90; 120
708.68Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.
Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives
Acta Crystallographica, Section B, 2006, 62, 864-874
2100577 CIF
Paper
C9 H15 N3 O6P 21/n10.4105; 13.1294; 8.6735
90; 98.222; 90
1173.34Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.
Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives
Acta Crystallographica, Section B, 2006, 62, 864-874
2100578 CIF
Paper
C12 H15 N3 O6P 63/m10.983; 10.983; 6.7555
90; 90; 120
705.72Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.
Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives
Acta Crystallographica, Section B, 2006, 62, 864-874
2100579 CIF
Paper
C15 H18 O6P 6111.3588; 11.3588; 20.2725
90; 90; 120
2265.18Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.
Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives
Acta Crystallographica, Section B, 2006, 62, 864-874
2100580 CIF
Paper
C9 H10 N2 O2P 1 21/n 14.8591; 14.395; 12.25
90; 92.151; 90
856.2Broder, Charlotte K.; Barnett, Sarah A.; Gutmann, Matthias J.; Shankland, Kenneth; Wilson, Chick C.
Accurate molecular structures and hydrogen bonding in two polymorphs of <i>ortho</i>-acetamidobenzamide by single-crystal neutron diffraction
Acta Crystallographica Section B, 2006, 62, 926-930
2100581 CIF
Paper
C9 H10 N2 O2P 1 21/c 17.788; 8.972; 12.547
90; 101.12; 90
860.2Broder, Charlotte K.; Barnett, Sarah A.; Gutmann, Matthias J.; Shankland, Kenneth; Wilson, Chick C.
Accurate molecular structures and hydrogen bonding in two polymorphs of <i>ortho</i>-acetamidobenzamide by single-crystal neutron diffraction
Acta Crystallographica Section B, 2006, 62, 926-930
2100582 CIF
Paper
C13 H9 I N2 O3P 1 21/c 113.1804; 7.5099; 13.8849
90; 111.163; 90
1281.68Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100583 CIF
Paper
C13 H9 I N2 O3P 1 c 110.0528; 4.8703; 13.5719
90; 109.945; 90
624.63Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100584 CIF
Paper
C13 H9 I N2 O3P 1 21 111.0552; 8.9521; 12.8921
90; 96.3899; 90
1267.97Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100585 CIF
Paper
C13 H9 I N2 O3C 1 c 113.8494; 10.0495; 9.4203
90; 105.235; 90
1265.03Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100586 CIF
Paper
C13 H9 I N2 O3P 1 21/n 17.4798; 14.0889; 11.8138
90; 93.259; 90
1242.95Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100587 CIF
Paper
C13 H9 I N2 O3P -15.1047; 15.3015; 16.4806
95.356; 95.498; 91.15
1275.23Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100588 CIF
Paper
C11 H11 N O5 ZnP -17.9853; 8.959; 9.055
103.228; 100.715; 99.844
604S. M. Hawxwell; H. Adams; L. Brammer
Two-dimensional metal-organic frameworks containing linear dicarboxylates
Acta Crystallographica Section B, 2006, 62, 808-814
2100589 CIF
Paper
C28 H24 O14 Zn3C 1 2/c 119.236; 10.588; 16.247
90; 109.109; 90
3126.7S. M. Hawxwell; H. Adams; L. Brammer
Two-dimensional metal-organic frameworks containing linear dicarboxylates
Acta Crystallographica Section B, 2006, 62, 808-814
2100590 CIF
Paper
C36 H44 N4 O18 Zn3P 1 21/c 112.968; 9.761; 18.336
90; 108.69; 90
2198.6S. M. Hawxwell; H. Adams; L. Brammer
Two-dimensional metal-organic frameworks containing linear dicarboxylates
Acta Crystallographica Section B, 2006, 62, 808-814
2100591 CIF
HKL
Paper
C60 H66 N6 O18 Zn3P 1 21/n 111.777; 14.727; 19.487
90; 101.748; 90
3309S. M. Hawxwell; H. Adams; L. Brammer
Two-dimensional metal-organic frameworks containing linear dicarboxylates
Acta Crystallographica Section B, 2006, 62, 808-814
2100592 CIF
Paper
C3 D7 N O3P 21 21 218.3096; 8.595; 5.4647
90; 90; 90
390.29S. A. Moggach; W. G. Marshall; S. Parsons
High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa
Acta Crystallographica, Section B, 2006, 62, 815-825
2100593 CIF
Paper
C3 D7 N O3P 21 21 216.87; 9.6396; 5.6058
90; 90; 90
371.24S. A. Moggach; W. G. Marshall; S. Parsons
High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa
Acta Crystallographica, Section B, 2006, 62, 815-825
2100594 CIF
Paper
C3 D7 N O3P 21 21 216.6874; 9.5815; 5.5619
90; 90; 90
356.38S. A. Moggach; W. G. Marshall; S. Parsons
High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa
Acta Crystallographica, Section B, 2006, 62, 815-825
2100595 CIF
Paper
C3 D7 N O3P 21 21 216.5477; 9.5405; 5.6092
90; 90; 90
350.4S. A. Moggach; W. G. Marshall; S. Parsons
High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa
Acta Crystallographica, Section B, 2006, 62, 815-825
2100596 CIF
Paper
C3 H4 K N3 O4C 1 2/m 111.037; 16.419; 7.1497
90; 103.68; 90
1258.9G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
Acta Crystallographica Section B, 2006, 62, 798-807
2100597 CIF
Paper
C3 H K2 N3 O3C m c m13.062; 6.62; 6.817
90; 90; 90
589.5G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
Acta Crystallographica Section B, 2006, 62, 798-807
2100598 CIF
Paper
C12 D17 K3 N12 O16C 1 2/m 112.8143; 16.3214; 11.8498
90; 97.52; 90
2457G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
Acta Crystallographica Section B, 2006, 62, 798-807
2100599 CIF
Paper
C12 D17 K3 N12 O16I 1 2/a 112.824; 16.332; 23.713
90; 97.514; 90
4923.8G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
Acta Crystallographica Section B, 2006, 62, 798-807
2100600 CIF
Paper
C12 H16 N12 O16 Rb3C 1 2/m 113.1499; 16.6185; 11.8444
90; 99.584; 90
2552.2G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
Acta Crystallographica Section B, 2006, 62, 798-807
2100601 CIF
Paper
C6 H10 O5P 21 21 216.6614; 13.3104; 7.4914
90; 90; 90
664.232L. Smrcok; M. Sládkovicová; V. Langer; C. C. Wilson; M. Koós
On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study
Acta Crystallographica, Section B, 2006, 62, 912-918
2100602 CIF
Paper
C6 H10 O5P 21 21 216.656; 13.314; 7.468
90; 90; 90
661.799L. Smrcok; M. Sládkovicová; V. Langer; C. C. Wilson; M. Koós
On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study
Acta Crystallographica, Section B, 2006, 62, 912-918
2100603 CIF
HKL
Paper
C10 H8P 1 21/a 18.0348; 5.8899; 8.565
90; 123.59; 90
337.65F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100604 CIF
HKL
Paper
C10 H8P 1 21/a 17.9948; 5.8726; 8.542
90; 123.677; 90
333.74F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100605 CIF
HKL
Paper
C10 H8P 1 21/a 17.8523; 5.8106; 8.474
90; 124.027; 90
320.44F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100606 CIF
HKL
Paper
C10 H8P 1 21/a 17.6778; 5.721; 8.395
90; 124.55; 90
303.71F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100607 CIF
HKL
Paper
C16 H10P 1 21/a 115.35; 3.852; 8.65
90; 103.3; 90
498F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100608 CIF
HKL
Paper
C16 H10P 1 21/a 115.309; 3.8375; 8.3341
90; 102.606; 90
477.81F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100609 CIF
Paper
Al Ca SiP -6 m 24.1772; 4.1772; 26.3246
90; 90; 120
397.8K. M. Sparta; R. Müller; M. Merz; G. Roth; P. Adelmann; T. Wolf
Modulated corrugations in the crystal structure of the superconductor CaAlSi
Acta Crystallographica, Section B, 2006, 62, 710-718
2100610 CIF
Paper
Al Ca SiP -6 m 24.1772; 4.1772; 21.9372
90; 90; 120
331.5K. M. Sparta; R. Müller; M. Merz; G. Roth; P. Adelmann; T. Wolf
Modulated corrugations in the crystal structure of the superconductor CaAlSi
Acta Crystallographica, Section B, 2006, 62, 710-718
2100611 CIF
Paper
Ga0.444 O3.556 Ti1.444P2/m(\a1/2\g)004.0904; 2.9755; 4.7359
90; 90.2935; 90
57.6416Michiue, Yuichi; Yamamoto, Akiji; Tanaka, Masahiko
Superspace description of the homologous series Ga~4~Ti~m-4~O~2m-2~ with the crystallographic shear structure based on rutile
Acta Crystallographica, Section B, 2006, 62, 737-744
2100612 CIF
Paper
Cu0.299 Pb0.951 S3.357 Sb0.406 Sn0.851C -13.6733; 6.312; 11.9039
92.484; 90.687; 89.941
275.72M. Evain; V. Petricek; Y. Moëlo; C. Maurel
First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals
Acta Crystallographica Section B, 2006, 62, 775-789
2100613 CIF
Paper
C15 H12 O3C 1 2/c 127.299; 5.4343; 17.576
90; 116.215; 90
2339.2V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2100614 CIF
Paper
C15 H11 Cl O3P 1 21/n 113.932; 5.3108; 17.878
90; 105.137; 90
1276.9V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2100615 CIF
Paper
C16 H14 O3P c a 2117.602; 6.8423; 21.662
90; 90; 90
2609V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2100616 CIF
Paper
C16 H13 Cl O3P 1 21/n 114.147; 5.33; 18.618
90; 104.777; 90
1357.4V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2100617 CIF
Paper
C14 H14 Cl N O6P -15.6849; 9.028; 14.8742
74.923; 83.543; 71.815
699.89V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2100618 CIF
Paper
C45 H67 N9 O11 SP 21 21 2111.359; 18.383; 23.325
90; 90; 90
4871Altamura, Maria R.; Dapporto Paolo; Fedi, Valentina; Giolitti, Alessandro; Guerri, Annalisa; Guidi, Antonio; Paoli, Paola; Rossi, Patrizia
New monocyclic and acyclic hNK-2 antagonists retaining the β-turn feature. X-ray and molecular modelling studies
Acta Crystallographica, Section B, 2006, 62, 889-896
2100619 CIF
Paper
C37 H48 N4 O4 SP 1 21 114.0346; 9.8834; 25.617
90; 98.152; 90
3517.4Altamura, Maria R.; Dapporto Paolo; Fedi, Valentina; Giolitti, Alessandro; Guerri, Annalisa; Guidi, Antonio; Paoli, Paola; Rossi, Patrizia
New monocyclic and acyclic hNK-2 antagonists retaining the β-turn feature. X-ray and molecular modelling studies
Acta Crystallographica, Section B, 2006, 62, 889-896
2100620 CIF
Paper
C6 H31 N5 O15 P2P 1 21 17.851; 21.976; 11.332
90; 90; 90
1955.2Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
Acta Crystallographica, Section B, 2006, 62, 919-925
2100621 CIF
Paper
C6 H31 N5 O15 P2P 21 21 217.851; 21.976; 5.666
90; 90; 90
977.6Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
Acta Crystallographica, Section B, 2006, 62, 919-925
2100622 CIF
Paper
C6 H31 N5 O15 P2P 1 21 17.851; 22.048; 11.325
90; 90.04; 90
1960.3Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
Acta Crystallographica, Section B, 2006, 62, 919-925
2100623 CIF
Paper
C6 H31 N5 O15 P2P 1 21 17.855; 22.105; 11.317
90; 90.05; 90
1965Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
Acta Crystallographica, Section B, 2006, 62, 919-925
2100624 CIF
Paper
C6 H31 N5 O15 P2P 1 21 17.861; 22.163; 11.315
90; 90.06; 90
1971.3Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
Acta Crystallographica, Section B, 2006, 62, 919-925
2100625 CIF
Paper
H2 O4 P TlP 1 21/a 114.331; 4.535; 6.514
90; 91.67; 90
423.2Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.
Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature
Acta Crystallographica, Section B, 2006, 62, 719-728
2100626 CIF
Paper
H2 O4 P TlP 1 21/a 114.26; 4.517; 6.497
90; 92.19; 90
418.2Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.
Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature
Acta Crystallographica, Section B, 2006, 62, 719-728
2100627 CIF
Paper
H8 O16 P4 Tl4C -128.483; 9.016; 6.502
90.09; 92.21; 90.49
1668.4Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.
Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature
Acta Crystallographica, Section B, 2006, 62, 719-728
2100628 CIF
Paper
Ag14.585 As0.337 Cu1.415 S8.341 Sb1.663 Se2.659P -3 m 17.595; 7.595; 12.0731
90; 90; 120
603.12M. Evain; L. Bindi; S. Menchetti
Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2]
Acta Crystallographica, Section B, 2006, 62, 768-774
2100629 CIF
Paper
Ag14.691 Cu1.309 S8.369 Sb2 Se2.631P 1 21/c 113.1426; 7.5879; 23.729
90; 90; 90
2366.4M. Evain; L. Bindi; S. Menchetti
Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2]
Acta Crystallographica, Section B, 2006, 62, 768-774
2100630 CIF
Paper
C21 H18 O5P 1 21/c 18.367; 8.4724; 23.6852
90; 92.514; 90
1677.39R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida
Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone
Acta Crystallographica, Section B, 2006, 62, 843-849
2100631 CIF
Paper
C22 H20 O5P 1 21/n 19.0604; 19.0147; 10.5963
90; 101.333; 90
1789.9R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida
Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone
Acta Crystallographica, Section B, 2006, 62, 843-849
2100632 CIF
Paper
C52 H52 O10P n a 2111.9602; 18.6249; 19.9648
90; 90; 90
4447.3R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida
Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone
Acta Crystallographica, Section B, 2006, 62, 843-849
2100633 CIF
Paper
C12 H36 Mo8 N4 O30P -112.3378; 14.417; 16.1439
100.927; 106.487; 104.11
2565M. Evain; V. Petricek; V. Coué; R. Dessapt; M. Bujoli-Doeuff; S. Jobic
Commensurate (C6H14N2)2[Mo8O26]·4H2O and incommensurate (C6H14N2)2[Mo8O26]·4.66H2O: a structural versatility linked to solvent content
Acta Crystallographica, Section B, 2006, 62, 790-797
2100634 CIF
Paper
C12 H37.32 Mo8 N4 O30.66P-1(\a\b\g)07.8907; 10.0855; 12.4131
113.685; 92.857; 101.244
878.2M. Evain; V. Petricek; V. Coué; R. Dessapt; M. Bujoli-Doeuff; S. Jobic
Commensurate (C6H14N2)2[Mo8O26]·4H2O and incommensurate (C6H14N2)2[Mo8O26]·4.66H2O: a structural versatility linked to solvent content
Acta Crystallographica, Section B, 2006, 62, 790-797
2100635 CIF
Paper
F3 FeR -3 c :H5.1979; 5.1979; 13.339
90; 90; 120
312.11Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100636 CIF
Paper
C WP -6 m 22.9034; 2.9034; 2.8397
90; 90; 120
20.731Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100637 CIF
Paper
NiF m -3 m3.5451; 3.5451; 3.5451
90; 90; 90
44.56Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100638 CIF
Paper
F3 FeR -3 c :H5.0094; 5.0094; 13.3971
90; 90; 120
291.15Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100639 CIF
Paper
C WP -6 m 22.9039; 2.9039; 2.8293
90; 90; 120
20.662Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100640 CIF
Paper
NiF m -3 m3.5359; 3.5359; 3.5359
90; 90; 90
44.21Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100641 CIF
Paper
F3 FeR -3 c :H4.919; 4.919; 13.4307
90; 90; 120
281.44Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100642 CIF
Paper
C WP -6 m 22.896; 2.896; 2.8389
90; 90; 120
20.62Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100643 CIF
Paper
NiF m -3 m3.5315; 3.5315; 3.5315
90; 90; 90
44.04Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100644 CIF
Paper
F3 FeR -3 c :H4.7683; 4.7683; 13.4386
90; 90; 120
264.61Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992

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