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

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