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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2002947 | CIF HKL Paper | C6 H10 N2 | I 1 2/a 1 | 14.1911; 8.252; 16.7382 90; 90.696; 90 | 1960 | Infantes, 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 | CIF | O8 W2 Zr | P 21 3 | 9.179989; 9.179989; 9.179989 90; 90; 90 | 773.6 | Evans, 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 Zn0.8 | P 65 2 2 | 10.464; 10.464; 15.056 90; 90; 120 | 1427.7 | Madeleine 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 | CIF | Nb5 O17 Sr5 | P n n m | 32.456; 5.674; 3.995 90; 90; 90 | 735.7 | Abrahams, 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 | CIF | Nb5 O17 Sr5 | P n n m | 32.456; 5.674; 3.995 90; 90; 90 | 735.7 | Abrahams, 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 Zr | P 1 21/n 1 | 12.377; 9.7522; 13.8543 90; 97.326; 90 | 1658.6 | Ross 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 Sb12 | I m -3 | 9.0971; 9.0971; 9.0971 90; 90; 90 | 752.85 | Chakoumakos, 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 Sb12 | I m -3 | 9.0854; 9.0854; 9.0854 90; 90; 90 | 749.95 | Chakoumakos, 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 Sb12 | I m -3 | 9.0857; 9.0857; 9.0857 90; 90; 90 | 750.02 | Chakoumakos, 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 Sb12 | I m -3 | 9.0813; 9.0813; 9.0813 90; 90; 90 | 748.93 | Chakoumakos, 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 Sb12 | I m -3 | 9.0809; 9.0809; 9.0809 90; 90; 90 | 748.84 | Chakoumakos, 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 Sb12 | I m -3 | 9.0814; 9.0814; 9.0814 90; 90; 90 | 748.96 | Chakoumakos, 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 Sb12 | I m -3 | 9.0839; 9.0839; 9.0839 90; 90; 90 | 749.58 | Chakoumakos, 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 Sb12 | I m -3 | 9.0771; 9.0771; 9.0771 90; 90; 90 | 747.9 | Chakoumakos, 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 Sb12 | I m -3 | 9.0762; 9.0762; 9.0762 90; 90; 90 | 747.67 | Chakoumakos, 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 Si | P c c n | 10.4232; 17.6675; 7.5363 90; 90; 90 | 1387.82 | Ross 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 Si | P -1 | 6.5124; 6.6952; 8.0215 70.723; 82.745; 89.243 | 327.348 | Ross 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 | CIF | Cs3 H3.5 O12 P0.5 S2.5 | C 1 2/c 1 | 19.769; 7.685; 8.858 90; 100.6; 90 | 1322.8 | Acta Crystallographica, Section B, 1999, 55, 285-296 |
| 2002965 | CIF | Cs3 H3.5 O12 P0.5 S2.5 | C 1 2/c 1 | 19.769; 7.685; 8.858 90; 100.6; 90 | 1322.8 | Acta Crystallographica, Section B, 1999, 55, 285-296 |
| 2002966 | CIF Paper | C2 H2 F3 N O | P 21 21 21 | 4.547; 5.947; 14.731 90; 90; 90 | 398.3 | Perpetuo, 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 O | P 1 21/n 1 | 4.807; 16.707; 6.708 90; 109.9; 90 | 506.55 | Perpetuo, 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 N | P 21 21 21 | 5.668; 9.266; 8.626 90; 90; 90 | 453 | Perpetuo, 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 S2 | P 1 21/a 1 | 8.3506; 18.0102; 9.636 90; 110.869; 90 | 1354.1 | Ferguson, 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 S | P 1 21/n 1 | 7.5765; 23.9154; 11.225 90; 105.921; 90 | 1955.9 | Ferguson, 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 S | P -1 | 7.3981; 12.7472; 13.0006 115.037; 102.398; 94.239 | 1065.9 | Ferguson, 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 S | P -1 | 7.7599; 12.4866; 12.914 114.003; 104.694; 93.69 | 1085.6 | Ferguson, 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 S | P 1 21/c 1 | 10.0292; 15.579; 15.0208 90; 105.47; 90 | 2261.9 | Ferguson, 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 S | P 21 21 21 | 12.2739; 19.454; 20.6251 90; 90; 90 | 4924.8 | Ferguson, 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 O2 | C 1 2/c 1 | 13.0288; 12.1865; 12.0778 90; 105.199; 90 | 1850.6 | Ferguson, 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 S | P -1 | 7.7342; 13.3624; 14.9843 110.514; 95.195; 95.895 | 1429.3 | Ferguson, 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 S2 | C 1 2/c 1 | 15.8692; 24.3728; 13.0952 90; 102.362; 90 | 4947.5 | Ferguson, 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 O4 | P b c a | 22.811; 22.029; 10.7965 90; 90; 90 | 5425.3 | Ferguson, 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 O6 | P 21 21 21 | 7.301; 7.658; 13.855 90; 90; 90 | 774.6 | Rychlewska, 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 Zr | P a -3 | 26.296; 26.296; 26.296 90; 90; 90 | 18183.1 | Evans, 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 Ho | F d -3 m :2 | 7.3091; 7.3091; 7.3091 90; 90; 90 | 390.47 | Streltsov 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 O3 | P -1 | 10.5; 11.617; 28.622 83.15; 83.41; 68.48 | 3215.2 | Kálmán, 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 O13 | P 21 21 21 | 23.048; 34.383; 11.992 90; 90; 90 | 9503 | Cram, 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 Tl0.6 | I 4/m c m | 8.054; 8.054; 6.805 90; 90; 90 | 441.4 | Hatzisymeon, 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 Tl0.8 | I 4/m c m | 8.056; 8.056; 6.826 90; 90; 90 | 443 | Hatzisymeon, 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 Tl1.2 | I 4/m c m | 8.057; 8.057; 6.83 90; 90; 90 | 443.37 | Hatzisymeon, 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 O2 | P 1 21/n 1 | 9.369; 5.563; 13.626 90; 92.36; 90 | 709.6 | Ellena, 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 O4 | P 1 21 1 | 5.289; 12.6877; 11.4872 90; 95.8136; 90 | 766.887 | Görbitz, 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 O4 | P 1 21 1 | 11.0112; 23.5186; 12.2636 90; 90.0121; 90 | 3175.88 | Görbitz, 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 O4 | P 21 21 21 | 5.1709; 14.6136; 22.423 90; 90; 90 | 1694.4 | Görbitz, 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 S8 | P -1 | 6.585; 9.038; 15.205 94.9; 95.74; 110 | 839.138 | Madsen, 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 O11 | P c c a | 7.304; 9.981; 19.956 90; 90; 90 | 1454.8 | Michaelides, 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 S | P 42/n m c :1 | 7.5355; 7.5355; 10.991 90; 90; 90 | 624.11 | Malchus, 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 S | P 4/n b m :1 | 10.8948; 10.8948; 10.789 90; 90; 90 | 1280.6 | Malchus, 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 P3 | P 31 | 12.623; 12.623; 26.325 90; 90; 120 | 3632.7 | Herbst-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 Ti5 | P 21 21 21 | 12.8417; 14.4195; 7.4622 90; 90; 90 | 1381.8 | Glaum, 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 O4 | P 1 | 8.075; 8.871; 11.606 72.69; 80.07; 71.84 | 751.3 | Walker, 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 O6 | P 1 21 1 | 7.796; 7.914; 22.243 90; 92.12; 90 | 1371.4 | Walker, 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 O5 | P 1 | 8.279; 11.539; 11.962 101.32; 110.25; 92.76 | 1042.9 | Walker, 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 2 | 23.808; 23.808; 23.14 90; 90; 90 | 13116 | Steiner, 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 | CIF | O80 P4 W24 | P 21 21 21 | 5.312; 6.5557; 42.196 90; 90; 90 | 1469.5 | Roussel, 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 Se6 | P 21 3 | 10.772; 10.772; 10.772 90; 90; 90 | 1249.9 | Evain, 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 Se6 | F -4 3 m | 10.838; 10.838; 10.838 90; 90; 90 | 1273.1 | Evain, 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 Tl | P 1 1 21/b | 9.07; 15; 6.575 90; 90; 106.92 | 855.8 | Ríos, 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 | CIF | C8 H24 P4 S8 Th | P 42 21 2 | 10.386; 10.386; 11.742 90; 90; 90 | 1266.6 | Iversen, 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 | CIF | C8 H24 P4 S8 Th | P 42 21 2 | 10.42; 10.42; 11.784 90; 90; 90 | 1279 | Iversen, 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 | CIF | C8 H24 P4 S8 Th | P 42 21 2 | 10.42; 10.42; 11.784 90; 90; 90 | 1279 | Iversen, 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 | CIF | C8 H24 P4 S8 Th | P 42 21 2 | 10.386; 10.386; 11.742 90; 90; 90 | 1266.6 | Iversen, 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 | CIF | K Nb5 O15 Pb2 | P 4/m b m | 12.646; 12.646; 3.9551 90; 90; 90 | 632.5 | Sciau, 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 | CIF | K Nb5 O15 Pb2 | P 4/m b m | 12.646; 12.646; 3.9551 90; 90; 90 | 632.5 | Sciau, 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 | CIF | K Nb5 O15 Pb2 | C m 2 m | 17.779; 18.015; 3.9209 90; 90; 90 | 1255.82 | Sciau, 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 | CIF | K Nb5 O15 Pb2 | C m 2 m | 17.756; 18.019; 3.9141 90; 90; 90 | 1252.3 | Sciau, 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 Zn | C 1 2/c 1 | 14.005; 13.697; 15.755 90; 110.88; 90 | 2824 | Edwards, 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 Zn | P 1 21/n 1 | 13.819; 13.543; 15.559 90; 110.29; 90 | 2731.2 | Edwards, 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 O2 | P 1 21/c 1 | 5.941; 10.08; 8.282 90; 95.87; 90 | 493.4 | Lenstra; 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 O6 | P 1 21/m 1 | 7.858; 14.442; 16.807 90; 92.26; 90 | 1905.9 | Rae, 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 O2 | R 3 | 12.532; 12.532; 12.717 90; 90; 120 | 1729.64 | Xue, D. F.; Zhang, S. Y. Structure and Non-linear Optical Properties of β -Barium Borate Acta Crystallographica Section B, 1998, 54, 652-656 |
| 2003021 | CIF | Ca8 Ga8 H8 O32 Si4 | I -4 3 m | 8.9346; 8.9346; 8.9346 90; 90; 90 | 713.22 | Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T. Acta Crystallographica, Section B, 1998, 54, 558-563 |
| 2003022 | CIF | Ca8 Ga8 H8 O32 Si4 | I -4 | 8.9346; 8.9346; 8.9346 90; 90; 90 | 713.22 | Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T. Acta Crystallographica, Section B, 1998, 54, 558-563 |
| 2003023 | CIF | Ca8 Ga8 H8 O32 Si4 | I -4 | 8.9345; 8.9345; 8.9345 90; 90; 90 | 713.2 | Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T. Acta Crystallographica, Section B, 1998, 54, 558-563 |
| 2003024 | CIF Paper | C14 H10 N2 O2 | P 1 21/a 1 | 12.083; 18.854; 10.76 90; 107.29; 90 | 2340.5 | Becker, 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 Se | C 1 2/c 1 | 7.14; 8.05; 7.84 90; 118.1; 90 | 398 | Aleksovska, 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 Si2 | C 1 c 1 | 16.3224; 11.243; 9.919 90; 115.972; 90 | 1636.4 | de 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 Si2 | C c c 2 | 5.807; 14.582; 4.773 90; 90; 90 | 404.2 | de 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 Zr | I -4 | 16.481; 16.481; 7.131 90; 90; 90 | 1936.9 | Tedesco, 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 Zr | P b c a | 16.387; 20.022; 13.758 90; 90; 90 | 4514 | Tedesco, 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 N2 | P 1 21/c 1 | 4.0246; 15.5147; 9.1453 90; 101.23; 90 | 560.1 | Kojić-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 N2 | C 1 2/m 1 | 12.4968; 11.4751; 3.9615 90; 96.8; 90 | 564.09 | Kojić-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 O3.68 | P 1 21/c 1 | 8.23; 35.82; 8.042 90; 103.11; 90 | 2309 | Pani, 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 O6 | P -1 | 5.4514; 11.945; 40.482 84.662; 86.97; 79.77 | 2581.1 | A.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 O4 | P -1 | 7.456; 8.813; 4.6806 91.74; 92.85; 101.11 | 301.17 | Kashino, 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 O4 | P -1 | 7.46; 8.805; 4.6768 91.84; 92.73; 101.2 | 300.74 | Kashino, 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 O | P 1 21/n 1 | 13.293; 16.657; 8.944 90; 93.09; 90 | 1977.5 | Fukushima, 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 O2 | P 1 21/n 1 | 10.765; 17.292; 11.228 90; 91.61; 90 | 2089.2 | Fukushima, 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 O2 | P 1 21/c 1 | 10.915; 17.606; 11.629 90; 108.49; 90 | 2119.4 | Fukushima, 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 O3 | P 1 21/n 1 | 11.274; 13.348; 14.786 90; 95.67; 90 | 2214.2 | Fukushima, 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 O | P 1 21/n 1 | 10.789; 14.804; 13.528 90; 104.62; 90 | 2090.7 | Fukushima, 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 O | P 1 21/n 1 | 10.033; 22.856; 11.227 90; 113.73; 90 | 2356.8 | Fukushima, 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 O2 | P 1 21/c 1 | 9.312; 12.005; 18.804 90; 90; 90 | 2102.1 | Fukushima, 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 O3 | P -1 | 11.71; 15.01; 6.224 95.55; 97.05; 77.79 | 1058.3 | Fukushima, 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 O2 | P c a b | 17.466; 20.537; 11.749 90; 90; 90 | 4214.4 | Fukushima, 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 O3 | P -1 | 8.679; 20.893; 6.16 93.96; 103.14; 78.22 | 1064.5 | Fukushima, 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 O3 | P -1 | 10.83; 12.717; 9.379 104.53; 99.15; 105.14 | 1171.6 | Fukushima, 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 O4 | P 21 21 21 | 10.798; 30.042; 9.407 90; 90; 90 | 3051.6 | Hosomi, 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 O4 | P 21 21 21 | 11.525; 28.238; 9.317 90; 90; 90 | 3032 | Hosomi, 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 O3 | P 21 n b | 11.691; 17.51; 10.683 90; 90; 90 | 2186.9 | Hosomi, 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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