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

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