Crystallography Open Database

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2002947 CIF
HKL
Paper
C6 H10 N2I 1 2/a 114.1911; 8.252; 16.7382
90; 90.696; 90
1960Infantes, L.; Foces-Foces, C.; Elguero,J.
3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200K. X-ray crystallography and quantum-chemical analysis
Acta Crystallographica Section B, 1999, 55, 441-447
2002948 CIFO8 W2 ZrP 21 39.179989; 9.179989; 9.179989
90; 90; 90
773.6Evans, J. S. O.; David, W. I. F.; Sleight, A. W.
Structural investigation of the negative-thermal-expansion material ZrW~2~O~8~
Acta Crystallographica, Section B, 1999, 55, 333-340
2002949 CIF
Paper
Co0.2 H2 Na O5 P Zn0.8P 65 2 210.464; 10.464; 15.056
90; 90; 120
1427.7Madeleine Helliwell
Determination of the site of incorporation of cobalt in CoZnPO-CZP by multiple-wavelength anomalous-dispersion crystallography
Acta Crystallographica Section B, 1999, 55, 327-332
2002950 CIFNb5 O17 Sr5P n n m32.456; 5.674; 3.995
90; 90; 90
735.7Abrahams, Sidney C.; Schmalle, Helmut W.; Williams, Tim; Reller, Armin; Lichtenberg, Frank; Widmer, Daniel; Bednorz, J. Georg; Spreiter, Rolf; Bosshard, Christian; Günter, Peter
Centrosymmetric or Noncentrosymmetric? Case Study and Structural Redetermination of Sr~5~Nb~5~O~17~
Acta Crystallographica, Section B, 1998, 54, 399-416
2002951 CIFNb5 O17 Sr5P n n m32.456; 5.674; 3.995
90; 90; 90
735.7Abrahams, Sidney C.; Schmalle, Helmut W.; Williams, Tim; Reller, Armin; Lichtenberg, Frank; Widmer, Daniel; Bednorz, J. Georg; Spreiter, Rolf; Bosshard, Christian; Günter, Peter
Centrosymmetric or Noncentrosymmetric? Case Study and Structural Redetermination of Sr~5~Nb~5~O~17~
Acta Crystallographica, Section B, 1998, 54, 399-416
2002952 CIF
Paper
C H10 F6 N4 O ZrP 1 21/n 112.377; 9.7522; 13.8543
90; 97.326; 90
1658.6Ross II, C. R.; Paulsen, B. L.; Nielson, R. M.; Abrahams, S. C.
Aminoguanidinium(2+) Hexafluorozirconate Monohydrate: A Co-Product of Preparing the Ferroelectric Anhydrous Salt
Acta Crystallographica Section B, 1998, 54, 417-423
2002953 CIF
Paper
Co1.26 Fe2.74 La0.743 Sb12I m -39.0971; 9.0971; 9.0971
90; 90; 90
752.85Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002954 CIF
Paper
Co1.26 Fe2.74 La0.743 Sb12I m -39.0854; 9.0854; 9.0854
90; 90; 90
749.95Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002955 CIF
Paper
Co1.26 Fe2.74 La0.743 Sb12I m -39.0857; 9.0857; 9.0857
90; 90; 90
750.02Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002956 CIF
Paper
Co1.26 Fe2.74 La0.743 Sb12I m -39.0813; 9.0813; 9.0813
90; 90; 90
748.93Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002957 CIF
Paper
Co1.26 Fe2.74 La0.743 Sb12I m -39.0809; 9.0809; 9.0809
90; 90; 90
748.84Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002958 CIF
Paper
Co1.26 Fe2.74 La0.743 Sb12I m -39.0814; 9.0814; 9.0814
90; 90; 90
748.96Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002959 CIF
Paper
Co1.26 Fe2.74 La0.743 Sb12I m -39.0839; 9.0839; 9.0839
90; 90; 90
749.58Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002960 CIF
Paper
Co1.26 Fe2.74 La0.743 Sb12I m -39.0771; 9.0771; 9.0771
90; 90; 90
747.9Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002961 CIF
Paper
Co1.26 Fe2.74 La0.743 Sb12I m -39.0762; 9.0762; 9.0762
90; 90; 90
747.67Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002962 CIF
Paper
C H8 F6 N4 SiP c c n10.4232; 17.6675; 7.5363
90; 90; 90
1387.82Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C.
Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate
Acta Crystallographica Section B, 1999, 55, 246-254
2002963 CIF
Paper
C2 H18 F6 N8 O2 SiP -16.5124; 6.6952; 8.0215
70.723; 82.745; 89.243
327.348Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C.
Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate
Acta Crystallographica Section B, 1999, 55, 246-254
2002964 CIFCs3 H3.5 O12 P0.5 S2.5C 1 2/c 119.769; 7.685; 8.858
90; 100.6; 90
1322.8Acta Crystallographica, Section B, 1999, 55, 285-296
2002965 CIFCs3 H3.5 O12 P0.5 S2.5C 1 2/c 119.769; 7.685; 8.858
90; 100.6; 90
1322.8Acta Crystallographica, Section B, 1999, 55, 285-296
2002966 CIF
Paper
C2 H2 F3 N OP 21 21 214.547; 5.947; 14.731
90; 90; 90
398.3Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D.
Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide
Acta Crystallographica Section B, 1999, 55, 70-77
2002967 CIF
Paper
C3 H4 F3 N OP 1 21/n 14.807; 16.707; 6.708
90; 109.9; 90
506.55Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D.
Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide
Acta Crystallographica Section B, 1999, 55, 70-77
2002968 CIF
Paper
C3 H2 F3 NP 21 21 215.668; 9.266; 8.626
90; 90; 90
453Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D.
Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide
Acta Crystallographica Section B, 1999, 55, 70-77
2002971 CIF
HKL
Paper
C28 H24 N2 O8 S2P 1 21/a 18.3506; 18.0102; 9.636
90; 110.869; 90
1354.1Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.
Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1)
Acta Crystallographica, Section B: Structural Science, 1999, 55, 573-590
2002972 CIF
HKL
Paper
C22 H18 N2 O4 SP 1 21/n 17.5765; 23.9154; 11.225
90; 105.921; 90
1955.9Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.
Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1)
Acta Crystallographica, Section B: Structural Science, 1999, 55, 573-590
2002973 CIF
HKL
Paper
C24 H20 N2 O4 SP -17.3981; 12.7472; 13.0006
115.037; 102.398; 94.239
1065.9Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.
Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1)
Acta Crystallographica, Section B: Structural Science, 1999, 55, 573-590
2002974 CIF
HKL
Paper
C24 H22 N2 O4 SP -17.7599; 12.4866; 12.914
114.003; 104.694; 93.69
1085.6Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.
Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1)
Acta Crystallographica, Section B: Structural Science, 1999, 55, 573-590
2002975 CIF
HKL
Paper
C25 H24 N2 O4 SP 1 21/c 110.0292; 15.579; 15.0208
90; 105.47; 90
2261.9Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.
Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1)
Acta Crystallographica, Section B: Structural Science, 1999, 55, 573-590
2002976 CIF
Paper
C25 H37 N2 O4.5 SP 21 21 2112.2739; 19.454; 20.6251
90; 90; 90
4924.8Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.
Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1)
Acta Crystallographica, Section B: Structural Science, 1999, 55, 573-590
2002977 CIF
HKL
Paper
C24 H18 N2 O2C 1 2/c 113.0288; 12.1865; 12.0778
90; 105.199; 90
1850.6Ferguson, George; Glidewell, Christopher; Lavender, Emma S.
Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1)
Acta Crystallographica Section B, 1999, 55, 591-600
2002978 CIF
HKL
Paper
C36 H26 N4 O2 SP -17.7342; 13.3624; 14.9843
110.514; 95.195; 95.895
1429.3Ferguson, George; Glidewell, Christopher; Lavender, Emma S.
Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1)
Acta Crystallographica Section B, 1999, 55, 591-600
2002979 CIF
HKL
Paper
C60 H44 N6 O8 S2C 1 2/c 115.8692; 24.3728; 13.0952
90; 102.362; 90
4947.5Ferguson, George; Glidewell, Christopher; Lavender, Emma S.
Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1)
Acta Crystallographica Section B, 1999, 55, 591-600
2002980 CIF
Paper
C33 H30 N2 O4P b c a22.811; 22.029; 10.7965
90; 90; 90
5425.3Ferguson, George; Glidewell, Christopher; Lavender, Emma S.
Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1)
Acta Crystallographica Section B, 1999, 55, 591-600
2002981 CIF
Paper
C5 H11 N O6P 21 21 217.301; 7.658; 13.855
90; 90; 90
774.6Rychlewska, Urszula; Szarecka, Agnieszka; Rychlewski, Jacek; Motała, Rafał
A mediated hydrogen bond in an α-hydroxycarboxyl group: X-ray structure of (<i>R</i>,<i>R</i>)-<i>N</i>-methyltartramic acid monohydrate and an <i>ab initio</i> study of model systems
Acta Crystallographica Section B, 1999, 55, 617-625
2002983 CIF
Paper
O7 V2 ZrP a -326.296; 26.296; 26.296
90; 90; 90
18183.1Evans, J.S.O.; Hanson, J.C.; Sleight, A.W.
Room-Temperature Superstructure of ZrV~2~O~7~
Acta Crystallographica Section B, 1998, 54, 705-713
2002984 CIF
Paper
Fe2 HoF d -3 m :27.3091; 7.3091; 7.3091
90; 90; 90
390.47Streltsov V. A.
Synchrotron X-ray analysis of the electron density in HoFe~2~
Acta Crystallographica Section B, 1999, 55, 321-326
2002985 CIF
Paper
C17 H22 N2 O3P -110.5; 11.617; 28.622
83.15; 83.41; 68.48
3215.2Kálmán, A.; Argay, Gy.
Topological Description of Pseudosymmetries in <i>trans</i>-2,3,4,5,5a,6,7,8,9,9a-Decahydro-2-methyl-4-phenylaminocarbonylbenzo[<i>f</i>][1,4]oxazepin-3-one and Other Structures which Crystallize in Space Group <i>P</i>-1 with <i>Z</i> = 8
Acta Crystallographica Section B, 1998, 54, 877-888
2002986 CIF
HKL
Paper
C51 H52 Cl N O13P 21 21 2123.048; 34.383; 11.992
90; 90; 90
9503Cram, Donald J.; de Graaff, R. A. G.; Knobler, Carolyn B.; Lingenfelter, David S.; Maverick, Emily F.; Trueblood, Kenneth N.
Chiral recognition between host and guest: a binaphthyl-18-crown-6 host with <small>D</small>-phenylglycinium methyl ester perchlorate guest. A difficult structure solved with <i>CRUNCH</i>
Acta Crystallographica Section B, 1999, 55, 432-440
2002987 CIF
Paper
In1.4 Se2 Tl0.6I 4/m c m8.054; 8.054; 6.805
90; 90; 90
441.4Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I.
X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9
Acta Crystallographica Section B, 1998, 54, 358-364
2002988 CIF
Paper
In1.2 Se2 Tl0.8I 4/m c m8.056; 8.056; 6.826
90; 90; 90
443Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I.
X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9
Acta Crystallographica Section B, 1998, 54, 358-364
2002989 CIF
Paper
In0.8 Se2 Tl1.2I 4/m c m8.057; 8.057; 6.83
90; 90; 90
443.37Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I.
X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9
Acta Crystallographica Section B, 1998, 54, 358-364
2002990 CIF
Paper
C7 H8 N2 O2P 1 21/n 19.369; 5.563; 13.626
90; 92.36; 90
709.6Ellena, Javier; Goeta, Andrés E.; Howard, Judith A. K.; Wilson, Chick C.; Autino, Juan C.; Punte, Graciela
Experimental evidence for the amino-group non-planarity in nitroanilines: neutron diffraction study of 2-methyl-5-nitroaniline at 100 K
Acta Crystallographica, Section B: Structural Science, 1999, 55, 209-215
2002991 CIF
HKL
Paper
C12 H26 N2 O4P 1 21 15.289; 12.6877; 11.4872
90; 95.8136; 90
766.887Görbitz, Carl Henrik; Torgersen, Eirin
Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine
Acta Crystallographica, Section B: Structural Science, 1999, 55, 104-113
2002992 CIF
HKL
Paper
C13 H28 N2 O4P 1 21 111.0112; 23.5186; 12.2636
90; 90.0121; 90
3175.88Görbitz, Carl Henrik; Torgersen, Eirin
Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine
Acta Crystallographica, Section B: Structural Science, 1999, 55, 104-113
2002993 CIF
HKL
Paper
C14 H30 N2 O4P 21 21 215.1709; 14.6136; 22.423
90; 90; 90
1694.4Görbitz, Carl Henrik; Torgersen, Eirin
Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine
Acta Crystallographica, Section B: Structural Science, 1999, 55, 104-113
2002994 CIF
Paper
C10 H8 I1.5 S8P -16.585; 9.038; 15.205
94.9; 95.74; 110
839.138Madsen, Dennis; Burghammer, Manfred; Fiedler, Stefan; Muller, Harald
The single-crystal structure of the organic superconductor β~CO~-(BEDT-TTF)~2~I~3~ from a powder grain
Acta Crystallographica Section B, 1999, 55, 601-606
2002995 CIF
HKL
Paper
C8 H18 Cd O11P c c a7.304; 9.981; 19.956
90; 90; 90
1454.8Michaelides, O. A.; Tsaousis, D.; Skoulika, S.; Raptopoulou, C. P.; Terzis, A.
An Unusual Hydrogen-Bonded Network Associated with Metal-Organic Chains: Structure and Crystal Packing of the Coordination Polymer [Cd(terephthalate)(H~2~O)~3~].4H~2~O
Acta Crystallographica Section B, 1998, 54, 657-662
2002996 CIF
Paper
C8 H24 N2 O4 SP 42/n m c :17.5355; 7.5355; 10.991
90; 90; 90
624.11Malchus, Michael; Jansen, Martin
Structural Investigations of the Phase Transitions of Tetramethylammonium Sulfate
Acta Crystallographica, Section B, 1998, 54, 494-502
2002997 CIF
Paper
C8 H24 N2 O4 SP 4/n b m :110.8948; 10.8948; 10.789
90; 90; 90
1280.6Malchus, Michael; Jansen, Martin
Structural Investigations of the Phase Transitions of Tetramethylammonium Sulfate
Acta Crystallographica Section B, 1998, 54, 494-502
2002998 CIF
Paper
C57 H52 Cl O2 Os P3P 3112.623; 12.623; 26.325
90; 90; 120
3632.7Herbst-Irmer, Regine; Sheldrick, George M.
Refinement of Twinned Structures with <i>SHELXL</i>97
Acta Crystallographica Section B, 1998, 54, 443-449
2002999 CIF
Paper
O20 P4 Ti5P 21 21 2112.8417; 14.4195; 7.4622
90; 90; 90
1381.8Glaum, Robert; Reinauer, Felix
Ideal and Real Structure of Ti~5~O~4~(PO~4~)~4~: X-ray and HRTEM Investigations
Acta Crystallographica Section B, 1998, 54, 722-731
2003000 CIF
Paper
C19 H18 O4P 18.075; 8.871; 11.606
72.69; 80.07; 71.84
751.3Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M.
Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers
Acta Crystallographica Section B, 1999, 55, 607-616
2003001 CIF
Paper
C33 H24 Br2 O6P 1 21 17.796; 7.914; 22.243
90; 92.12; 90
1371.4Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M.
Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers
Acta Crystallographica Section B, 1999, 55, 607-616
2003002 CIF
Paper
C26 H19 Br O5P 18.279; 11.539; 11.962
101.32; 110.25; 92.76
1042.9Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M.
Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers
Acta Crystallographica Section B, 1999, 55, 607-616
2003003 CIF
Paper
?P 4 21 223.808; 23.808; 23.14
90; 90; 90
13116Steiner, T.; Saenger, W.
Channel-Type Crystal Packing in the Very Rare Space Group <i>P</i>42~1~2 with <i>Z</i>' = 3/4: Crystal Structure of the Complex γ-Cyclodextrin‒Methanol‒<i>n</i>-Hydrate
Acta Crystallographica Section B, 1998, 54, 450-455
2003004 CIFO80 P4 W24P 21 21 215.312; 6.5557; 42.196
90; 90; 90
1469.5Roussel, P.; Mather, G.; Domengès, B.; Groult, D.; Labbé, P.
Structural Investigation of P~4~W~24~O~80~: A New Monophosphate Tungsten Bronze
Acta Crystallographica, Section B: Structural Science, 1998, 54, 365-375
2003005 CIF
Paper
Ag7 P Se6P 21 310.772; 10.772; 10.772
90; 90; 90
1249.9Evain, M.; Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F.
Structures and Phase Transitions of the <i>A</i>~7~PSe~6~ (<i>A</i> = Ag, Cu) Argyrodite-Type Ionic Conductors. I. Ag~7~PSe~6~
Acta Crystallographica Section B, 1998, 54, 376-383
2003006 CIF
Paper
Ag7 P Se6F -4 3 m10.838; 10.838; 10.838
90; 90; 90
1273.1Evain, M.; Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F.
Structures and Phase Transitions of the <i>A</i>~7~PSe~6~ (<i>A</i> = Ag, Cu) Argyrodite-Type Ionic Conductors. I. Ag~7~PSe~6~
Acta Crystallographica Section B, 1998, 54, 376-383
2003007 CIF
Paper
D2 O4 P TlP 1 1 21/b9.07; 15; 6.575
90; 90; 106.92
855.8Ríos, Susana; Paulus, Werner; Cousson, Alain; Quilichini, Marguerite; Heger, Gernot
Isotope Effect in TlH~2~PO~4~ and TlD~2~PO~4~
Acta Crystallographica Section B, 1998, 54, 790-797
2003008 CIFC8 H24 P4 S8 ThP 42 21 210.386; 10.386; 11.742
90; 90; 90
1266.6Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.
Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures
Acta Crystallographica, Section B: Structural Science, 1999, 55, 363-374
2003009 CIFC8 H24 P4 S8 ThP 42 21 210.42; 10.42; 11.784
90; 90; 90
1279Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.
Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures
Acta Crystallographica, Section B: Structural Science, 1999, 55, 363-374
2003010 CIFC8 H24 P4 S8 ThP 42 21 210.42; 10.42; 11.784
90; 90; 90
1279Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.
Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures
Acta Crystallographica, Section B: Structural Science, 1999, 55, 363-374
2003011 CIFC8 H24 P4 S8 ThP 42 21 210.386; 10.386; 11.742
90; 90; 90
1266.6Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.
Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures
Acta Crystallographica, Section B: Structural Science, 1999, 55, 363-374
2003012 CIFK Nb5 O15 Pb2P 4/m b m12.646; 12.646; 3.9551
90; 90; 90
632.5Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean
Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~
Acta Crystallographica Section B, 1999, 55, 459-466
2003013 CIFK Nb5 O15 Pb2P 4/m b m12.646; 12.646; 3.9551
90; 90; 90
632.5Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean
Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~
Acta Crystallographica Section B, 1999, 55, 459-466
2003014 CIFK Nb5 O15 Pb2C m 2 m17.779; 18.015; 3.9209
90; 90; 90
1255.82Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean
Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~
Acta Crystallographica Section B, 1999, 55, 459-466
2003015 CIFK Nb5 O15 Pb2C m 2 m17.756; 18.019; 3.9141
90; 90; 90
1252.3Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean
Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~
Acta Crystallographica Section B, 1999, 55, 459-466
2003016 CIF
Paper
C6 H14 I2 N2 O2 ZnC 1 2/c 114.005; 13.697; 15.755
90; 110.88; 90
2824Edwards, R. A.; Easteal, A. J.; Gladkikh, O. P.; Robinson, W. T.; Turnbull, M. M.; Wilkins, C. J.
A Reversible Non-disruptive Phase Transition Shown by the Zinc Iodide Dimethylformamide Complex ZnI~2~(dmf)~2~
Acta Crystallographica Section B, 1998, 54, 663-670
2003017 CIF
Paper
C6 H14 I2 N2 O2 ZnP 1 21/n 113.819; 13.543; 15.559
90; 110.29; 90
2731.2Edwards, R. A.; Easteal, A. J.; Gladkikh, O. P.; Robinson, W. T.; Turnbull, M. M.; Wilkins, C. J.
A Reversible Non-disruptive Phase Transition Shown by the Zinc Iodide Dimethylformamide Complex ZnI~2~(dmf)~2~
Acta Crystallographica Section B, 1998, 54, 663-670
2003018 CIF
Paper
C4 H6 N2 O2P 1 21/c 15.941; 10.08; 8.282
90; 95.87; 90
493.4Lenstra; Bracke; Van Dijk; Maes; Vanhulle; Desseyn
Net Intensities: Accuracy Improvement Through a Bayesian Perspective on the Measuring Strategy and Their Persistent Lack of Precision. An Illustration
Acta Crystallographica Section B, 1998, 54, 851-858
2003019 CIF
Paper
C21 H15 Bi O6P 1 21/m 17.858; 14.442; 16.807
90; 92.26; 90
1905.9Rae, A. D.; Gainsford, G. J.; Kemmitt, T.
Disordered Structure of Polymeric Bismuth Tribenzoate, [Bi(C~6~H~5~COO)~3~]~<i>n~</i>
Acta Crystallographica Section B, 1998, 54, 438-442
2003020 CIF
Paper
B2 Ba O2R 312.532; 12.532; 12.717
90; 90; 120
1729.64Xue, D. F.; Zhang, S. Y.
Structure and Non-linear Optical Properties of β -Barium Borate
Acta Crystallographica Section B, 1998, 54, 652-656
2003021 CIFCa8 Ga8 H8 O32 Si4I -4 3 m8.9346; 8.9346; 8.9346
90; 90; 90
713.22Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T.
Acta Crystallographica, Section B, 1998, 54, 558-563
2003022 CIFCa8 Ga8 H8 O32 Si4I -48.9346; 8.9346; 8.9346
90; 90; 90
713.22Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T.
Acta Crystallographica, Section B, 1998, 54, 558-563
2003023 CIFCa8 Ga8 H8 O32 Si4I -48.9345; 8.9345; 8.9345
90; 90; 90
713.2Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T.
Acta Crystallographica, Section B, 1998, 54, 558-563
2003024 CIF
Paper
C14 H10 N2 O2P 1 21/a 112.083; 18.854; 10.76
90; 107.29; 90
2340.5Becker, Dan; Botoshansky, Mark; Gasper, Noga; Herbstein, Frank H.; Karni, Miriam
2-Phenyl-4-hydroxyphthalazin-1-one: A Benzoannelated Derivative of Maleic Hydrazide
Acta Crystallographica Section B, 1998, 54, 671-676
2003025 CIF
Paper
Fe H2 O5 SeC 1 2/c 17.14; 8.05; 7.84
90; 118.1; 90
398Aleksovska, S.; Petrusevski, V. M.; Soptrajanov, B.
Calculation of Structural Parameters in Isostructural Series: the Kieserite Group
Acta Crystallographica Section B, 1998, 54, 564-567
2003026 CIF
Paper
K2 O5 Si2C 1 c 116.3224; 11.243; 9.919
90; 115.972; 90
1636.4de Jong, B. H. W. S.; Supèr, H. T. J.; Spek, A. L.; Veldman, N.; Nachtegaal, G.; Fischer, J. C.
Mixed Alkali Systems: Structure and ^29^Si MASNMR of Li~2~Si~2~O~5~ and K~2~Si~2~O~5~
Acta Crystallographica Section B, 1998, 54, 568-577
2003027 CIF
Paper
Li2 O5 Si2C c c 25.807; 14.582; 4.773
90; 90; 90
404.2de Jong, B. H. W. S.; Supèr, H. T. J.; Spek, A. L.; Veldman, N.; Nachtegaal, G.; Fischer, J. C.
Mixed Alkali Systems: Structure and ^29^Si MASNMR of Li~2~Si~2~O~5~ and K~2~Si~2~O~5~
Acta Crystallographica Section B, 1998, 54, 568-577
2003028 CIF
Paper
C44 H60 ZrI -416.481; 16.481; 7.131
90; 90; 90
1936.9Tedesco, C.; Immirzi, A.; Proto, A.
Structures of Homoleptic Benzyl Derviatives of Zirconium
Acta Crystallographica Section B, 1998, 54, 431-437
2003029 CIF
Paper
C28 H28 ZrP b c a16.387; 20.022; 13.758
90; 90; 90
4514Tedesco, C.; Immirzi, A.; Proto, A.
Structures of Homoleptic Benzyl Derviatives of Zirconium
Acta Crystallographica Section B, 1998, 54, 431-437
2003030 CIF
Paper
C16 H12 N2P 1 21/c 14.0246; 15.5147; 9.1453
90; 101.23; 90
560.1Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Piantanida, Ivo
Crystal and molecular structures of diazapyrenes and a study of π···π interactions
Acta Crystallographica Section B, 1999, 55, 55-69
2003031 CIF
Paper
C16 H12 N2C 1 2/m 112.4968; 11.4751; 3.9615
90; 96.8; 90
564.09Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Piantanida, Ivo
Crystal and molecular structures of diazapyrenes and a study of π···π interactions
Acta Crystallographica Section B, 1999, 55, 55-69
2003032 CIF
HKL
Paper
C20.36 H23.72 Cl2 N3 O3.68P 1 21/c 18.23; 35.82; 8.042
90; 103.11; 90
2309Pani, M.; Carnasciali, M. M.; Mugnoli, A.; Beltrame, P.; Cadoni, E.; Gelli, G.
Energetic Study of the Disordered Solvent in the Crystal Structure of an Isoxazole Derivative
Acta Crystallographica Section B, 1998, 54, 872-876
2003033 CIF
Paper
C51 H98 O6P -15.4514; 11.945; 40.482
84.662; 86.97; 79.77
2581.1A.J. van Langevelde
Structure of mono-acid even-numbered β-triacylglycerols
Acta Crystallographica Section B, 1999, 55, 114-122
2003035 CIF
Paper
C4 H9 N O4P -17.456; 8.813; 4.6806
91.74; 92.85; 101.11
301.17Kashino, Setsuo; Taka, Jun-ichiro; Yoshida, Tadanori; Kubozono, Yoshihiro; Ishida, Hiroyuki; Maeda, Hironobu
Structure of Ammonium Hydrogen Succinate at 80 and 20 K
Acta Crystallographica Section B, 1998, 54, 889-894
2003036 CIF
Paper
C4 H9 N O4P -17.46; 8.805; 4.6768
91.84; 92.73; 101.2
300.74Kashino, Setsuo; Taka, Jun-ichiro; Yoshida, Tadanori; Kubozono, Yoshihiro; Ishida, Hiroyuki; Maeda, Hironobu
Structure of Ammonium Hydrogen Succinate at 80 and 20 K
Acta Crystallographica Section B, 1998, 54, 889-894
2003037 CIF
HKL
Paper
C22 H28 OP 1 21/n 113.293; 16.657; 8.944
90; 93.09; 90
1977.5Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S.
Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones
Acta Crystallographica Section B, 1998, 54, 895-906
2003038 CIF
HKL
Paper
C23 H30 O2P 1 21/n 110.765; 17.292; 11.228
90; 91.61; 90
2089.2Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S.
Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones
Acta Crystallographica Section B, 1998, 54, 895-906
2003039 CIF
HKL
Paper
C23 H27 Cl O2P 1 21/c 110.915; 17.606; 11.629
90; 108.49; 90
2119.4Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S.
Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones
Acta Crystallographica Section B, 1998, 54, 895-906
2003040 CIF
HKL
Paper
C24 H30 O3P 1 21/n 111.274; 13.348; 14.786
90; 95.67; 90
2214.2Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S.
Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones
Acta Crystallographica Section B, 1998, 54, 895-906
2003041 CIF
HKL
Paper
C23 H30 OP 1 21/n 110.789; 14.804; 13.528
90; 104.62; 90
2090.7Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S.
Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones
Acta Crystallographica Section B, 1998, 54, 895-906
2003042 CIF
HKL
Paper
C26 H36 OP 1 21/n 110.033; 22.856; 11.227
90; 113.73; 90
2356.8Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S.
Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones
Acta Crystallographica Section B, 1998, 54, 895-906
2003043 CIF
HKL
Paper
C23 H30 O2P 1 21/c 19.312; 12.005; 18.804
90; 90; 90
2102.1Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S.
Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones
Acta Crystallographica Section B, 1998, 54, 895-906
2003044 CIF
Paper
C23 H28 O3P -111.71; 15.01; 6.224
95.55; 97.05; 77.79
1058.3Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S.
Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones
Acta Crystallographica Section B, 1998, 54, 895-906
2003045 CIF
HKL
Paper
C23 H27 Cl O2P c a b17.466; 20.537; 11.749
90; 90; 90
4214.4Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S.
Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones
Acta Crystallographica Section B, 1998, 54, 895-906
2003046 CIF
Paper
C24 H30 O3P -18.679; 20.893; 6.16
93.96; 103.14; 78.22
1064.5Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S.
Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones
Acta Crystallographica Section B, 1998, 54, 895-906
2003047 CIF
Paper
C25 H32 O3P -110.83; 12.717; 9.379
104.53; 99.15; 105.14
1171.6Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S.
Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones
Acta Crystallographica Section B, 1998, 54, 895-906
2003048 CIF
HKL
Paper
C33 H39 N O4P 21 21 2110.798; 30.042; 9.407
90; 90; 90
3051.6Hosomi, H.; Ito, Y.; Ohba, S.
Crystal-to-Crystal Diastereoselective Transformation of 2,4,6-Triisopropyl-4'-(<i>S</i>)-phenylalaninocarbonylbenzophenone Methyl Ester
Acta Crystallographica Section B, 1998, 54, 907-911
2003049 CIF
HKL
Paper
C33 H39 N O4P 21 21 2111.525; 28.238; 9.317
90; 90; 90
3032Hosomi, H.; Ito, Y.; Ohba, S.
Crystal-to-Crystal Diastereoselective Transformation of 2,4,6-Triisopropyl-4'-(<i>S</i>)-phenylalaninocarbonylbenzophenone Methyl Ester
Acta Crystallographica Section B, 1998, 54, 907-911
2003050 CIF
HKL
Paper
C24 H30 O3P 21 n b11.691; 17.51; 10.683
90; 90; 90
2186.9Hosomi, H.; Ito, Y.; Ohba, S.
Crystal-to-Crystal Diastereoselective Transformation of 2,4,6-Triisopropyl-4'-(<i>S</i>)-phenylalaninocarbonylbenzophenone Methyl Ester
Acta Crystallographica Section B, 1998, 54, 907-911

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