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2102087 | CIF Paper | K O3 Ta | P m -3 m | 3.9883; 3.9883; 3.9883 90; 90; 90 | 63.44 | Zhurova, Elizabeth A.; Ivanov, Yury; Zavodnik, Valery; Tsirelson, Vladimir Electron density and atomic displacements in KTaO~3~ Acta Crystallographica Section B, 2000, 56, 594-600 |
2102003 | CIF Paper | Hf0.8 O3 Pb Ti0.2 | P m -3 m | 4.1072; 4.1072; 4.1072 90; 90; 90 | 69.285 | Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K Acta Crystallographica Section B, 2000, 56, 27-38 |
2101996 | CIF Paper | N Na O2 | I m 2 m | 3.5024; 5.5209; 5.3789 90; 90; 90 | 104.01 | Gohda, Takashi X-ray study of deformation density and spontaneous polarization in ferroelectric NaNO~2~ Acta Crystallographica Section B, 2000, 56, 11-16 |
2102068 | CIF Paper | Bi0.5 Na0.5 O3 Ti | P 4 b m | 5.5191; 5.5191; 3.9085 90; 90; 90 | 119.055 | Jones, G. O.; Thomas, P. A. The tetragonal phase of Na~0.5~Bi~0.5~TiO~3~ – a new variant of the perovskite structure Acta Crystallographica Section B, 2000, 56, 426-430 |
2102124 | CIF Paper | O5 Ta2 | C 1 2 1 | 5.2252; 4.6991; 5.8534 90; 108.2; 90 | 136.533 | Zibrov, I. P.; Filonenko, V. P.; Sundberg, M.; Werner, P.-E. Structures and phase transitions of <i>B</i>-Ta~2~O~5~ and <i>Z</i>-Ta~2~O~5~: two high-pressure forms of Ta~2~O~5~ Acta Crystallographica Section B, 2000, 56, 659-665 |
2102112 | CIF Paper | ? | I 41/a m d :2 | 5.20713; 5.20713; 7.40141 90; 90; 90 | 200.683 | Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing Structural phase transitions of HfV~2~ at low temperatures Acta Crystallographica Section B, 2000, 56, 601-606 |
2102113 | CIF Paper | ? | I m m a | 5.19096; 5.21235; 7.41751 90; 90; 90 | 200.696 | Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing Structural phase transitions of HfV~2~ at low temperatures Acta Crystallographica Section B, 2000, 56, 601-606 |
2102114 | CIF Paper | ? | I m m a | 5.17349; 5.22109; 7.43197 90; 90; 90 | 200.747 | Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing Structural phase transitions of HfV~2~ at low temperatures Acta Crystallographica Section B, 2000, 56, 601-606 |
2102090 | CIF Paper | K Li O4 S | P 63 | 5.202; 5.202; 8.647 90; 90; 120 | 202.65 | Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K Acta Crystallographica Section B, 2000, 56, 607-617 |
2102214 | CIF Paper | D K S | R -3 m :H | 4.988; 4.988; 9.997 90; 90; 120 | 215.4 | Haarmann, Frank; Jacobs, Herbert; Reehuis, Manfred; Loose, Anja Anharmonicity of potentials of atoms in potassium hydrogensulfide (KDS) determined by neutron single-crystal diffraction Acta Crystallographica Section B, 2000, 56, 988-992 |
2102017 | CIF Paper | Ce0.33333 Nb O3 | P 1 2/m 1 | 5.5267; 7.8824; 5.5245 90; 90.294; 90 | 240.664 | Bridges, C.; Greedan, J. E.; Barbier, J. Structure of the defect perovskite Ce~1/3~NbO~3~: a redetermination by electron and neutron powder diffraction Acta Crystallographica Section B, 2000, 56, 183-188 |
6000092 | CIF | Co O6 Pb2 W | I2/m | 7.9602; 5.6779; 5.6967 90; 90.047; 90 | 257.47 | Baldinozzi, G.; Calvarin, G.; Sciau, P.; Grebille, D.; Suard, E. Neutron Rietveld refinement of the incommensurate phase of the ordered perovskite Pb2CoWO6 Acta Crystallographica B, 2000, 56, 570-576 |
2102170 | CIF Paper | Hf0.01 O24 Si Zr0.99 | I 41/a m d :2 | 6.618; 6.618; 6.019 90; 90; 90 | 263.6 | Ríos, Susana; Malcherek, Thomas; Salje, Ekhard K. H.; Domeneghetti, Chiara Localized defects in radiation-damaged zircon Acta Crystallographica Section B, 2000, 56, 947-952 |
2102145 | CIF Paper | Fe Mn O3.945 Yb0.963 | R -3 m :H | 3.458; 3.458; 25.647 90; 90; 120 | 265.59 | Nespolo, Massimo; Isobe, Mitsumasa; Iida, Junji; Kimizuka, Noboru Crystal structure and charge distribution of YbFeMnO~4~ Acta Crystallographica Section B, 2000, 56, 805-810 |
2102012 | CIF Paper | F Nb O2 | R -3 c | 4.8232; 4.8232; 13.7125 90; 90; 120 | 276.26 | Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E. High-pressure transformations of NbO~2~F Acta Crystallographica Section B, 2000, 56, 189-196 |
2102011 | CIF Paper | F Nb O2 | R -3 c | 4.8552; 4.8552; 13.7 90; 90; 120 | 279.68 | Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E. High-pressure transformations of NbO~2~F Acta Crystallographica Section B, 2000, 56, 189-196 |
2102010 | CIF Paper | F Nb O2 | R -3 c | 4.9462; 4.9462; 13.6689 90; 90; 120 | 289.61 | Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E. High-pressure transformations of NbO~2~F Acta Crystallographica Section B, 2000, 56, 189-196 |
2102058 | CIF Paper | Br2 H6 N2 Pd | P -1 | 6.7854; 7.1057; 6.6241 103.221; 102.514; 100.386 | 294.52 | Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S. Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state Acta Crystallographica, Section B: Structural Science, 2000, 56, 419-425 |
2102118 | CIF Paper | O7 P2 Zr | P n n m | 8.3127; 6.6389; 5.3407 90; 90; 90 | 294.74 | Krogh Andersen, Anne Marie; Norby, Poul <i>Ab initio</i> structure determination and Rietveld refinement of a high-temperature phase of zirconium hydrogen phosphate and a new polymorph of zirconium pyrophosphate from <i>in situ</i> temperature-resolved powder diffraction data Acta Crystallographica Section B, 2000, 56, 618-625 |
2102009 | CIF Paper | F Nb O2 | R -3 c | 5.1232; 5.1232; 13.6017 90; 90; 120 | 309.18 | Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E. High-pressure transformations of NbO~2~F Acta Crystallographica Section B, 2000, 56, 189-196 |
2102160 | CIF Paper | Ca1.74 Co O7 Si2 Sr0.26 | P -4 21 m | 7.8743; 7.8743; 5.0417 90; 90; 90 | 312.61 | Bagautdinov, B.; Hagiya, K.; Kusaka, K.; Ohmasa, M.; Iishi, K. Two-dimensional incommensurately modulated structure of (Sr~0.13~Ca~0.87~)~2~CoSi~2~O~7~ crystals Acta Crystallographica Section B, 2000, 56, 811-821 |
2102008 | CIF Paper | F Nb O2 | R -3 c | 5.2357; 5.2357; 13.5542 90; 90; 120 | 321.78 | Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E. High-pressure transformations of NbO~2~F Acta Crystallographica Section B, 2000, 56, 189-196 |
2102007 | CIF Paper | F Nb O2 | R -3 c | 5.3067; 5.3067; 13.5495 90; 90; 120 | 330.45 | Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E. High-pressure transformations of NbO~2~F Acta Crystallographica Section B, 2000, 56, 189-196 |
2102123 | CIF Paper | O5 Ta2 | C 1 2/c 1 | 12.7853; 4.8537; 5.5276 90; 104.264; 90 | 332.446 | Zibrov, I. P.; Filonenko, V. P.; Sundberg, M.; Werner, P.-E. Structures and phase transitions of <i>B</i>-Ta~2~O~5~ and <i>Z</i>-Ta~2~O~5~: two high-pressure forms of Ta~2~O~5~ Acta Crystallographica Section B, 2000, 56, 659-665 |
2102117 | CIF Paper | H2 O8 P2 Zr | P n n m | 8.1935; 7.709; 5.408 90; 90; 90 | 341.59 | Krogh Andersen, Anne Marie; Norby, Poul <i>Ab initio</i> structure determination and Rietveld refinement of a high-temperature phase of zirconium hydrogen phosphate and a new polymorph of zirconium pyrophosphate from <i>in situ</i> temperature-resolved powder diffraction data Acta Crystallographica Section B, 2000, 56, 618-625 |
2102119 | CIF Paper | C6 H13 N O2 | P -1 | 5.2289; 5.4102; 13.1095 96.332; 90.622; 109.493 | 347.02 | Dalhus, Bjørn; Görbitz, Carl Henrik Structural relationships in crystals accommodating different stereoisomers of 2-amino-3-methylpentanoic acid Acta Crystallographica Section B, 2000, 56, 720-727 |
2102120 | CIF Paper | C6 H13 N O2 | P 1 | 5.2438; 5.3978; 13.2562 93.042; 92.811; 109.897 | 351.42 | Dalhus, Bjørn; Görbitz, Carl Henrik Structural relationships in crystals accommodating different stereoisomers of 2-amino-3-methylpentanoic acid Acta Crystallographica Section B, 2000, 56, 720-727 |
2102121 | CIF Paper | C6 H13 N O2 | P -1 | 5.2493; 5.4006; 13.2778 92.9433; 92.8659; 109.857 | 352.657 | Dalhus, Bjørn; Görbitz, Carl Henrik Structural relationships in crystals accommodating different stereoisomers of 2-amino-3-methylpentanoic acid Acta Crystallographica Section B, 2000, 56, 720-727 |
2102006 | CIF Paper | F Nb O2 | R -3 c | 5.52; 5.52; 13.52 90; 90; 120 | 356.768 | Carlson, Stefan; Larsson, Ann-Kristin; Rohrer, Franziska E. High-pressure transformations of NbO~2~F Acta Crystallographica Section B, 2000, 56, 189-196 |
2102067 | CIF Paper | C8 H4 Li2 O4 | P 1 21/c 1 | 8.35918; 5.13212; 8.48489 90; 93.1555; 90 | 363.45 | Kaduk, James A. Terephthalate salts: salts of monopositive cations Acta Crystallographica Section B, 2000, 56, 474-485 |
2102115 | CIF Paper | ? | F d -3 m :2 | 7.37515; 7.375154; 7.375154 90; 90; 90 | 401.156 | Zhao, Yusheng; Chu, Fuming; Von Dreele, Robert B.; Zhu, Qing Structural phase transitions of HfV~2~ at low temperatures Acta Crystallographica Section B, 2000, 56, 601-606 |
2101999 | CIF Paper | Hf0.8 O3 Pb Ti0.2 | R 3 c :H | 5.7827; 5.7827; 14.2702 90; 90; 120 | 413.259 | Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K Acta Crystallographica Section B, 2000, 56, 27-38 |
2102000 | CIF Paper | Hf0.8 O3 Pb Ti0.2 | R 3 c :H | 5.7871; 5.7871; 14.2735 90; 90; 120 | 413.984 | Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K Acta Crystallographica Section B, 2000, 56, 27-38 |
2102001 | CIF Paper | Hf0.8 O3 Pb Ti0.2 | R 3 c :H | 5.7943; 5.7943; 14.2742 90; 90; 120 | 415.035 | Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K Acta Crystallographica Section B, 2000, 56, 27-38 |
2102002 | CIF Paper | Hf0.8 O3 Pb Ti0.2 | R 3 c :H | 5.8025; 5.8025; 14.2648 90; 90; 120 | 415.94 | Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K Acta Crystallographica Section B, 2000, 56, 27-38 |
2102091 | CIF Paper | K Li O4 S | P m c n | 5.264; 9.148; 8.666 90; 90; 90 | 417.3 | Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K Acta Crystallographica Section B, 2000, 56, 607-617 |
2102092 | CIF Paper | K Li O4 S | P m c n | 5.27; 9.193; 8.751 90; 90; 90 | 424 | Pinheiro, Carlos Basílio; Pimenta, Marcos Assunção; Chapuis, Gervais; Speziali, Nivaldo Lúcio Analysis of LiKSO~4~ crystals in the temperature range from 573 to 943K Acta Crystallographica Section B, 2000, 56, 607-617 |
2102064 | CIF Paper | C8 H4 K2 O4 | P 1 21/c 1 | 10.561; 3.944; 11.535 90; 113.08; 90 | 442 | Kaduk, James A. Terephthalate salts: salts of monopositive cations Acta Crystallographica Section B, 2000, 56, 474-485 |
2102031 | CIF Paper | C4 H12 Cd Cl3 N | P 63/m | 9.126; 9.126; 6.718 90; 90; 120 | 484.5 | Peral, I.; Madariaga, G.; Perez-Etxebarria, A.; Breczewski, T. X-ray diffraction study of the phase transitions of (CH~3~)~4~NCdCl~3~ between 293 and 80K: a quantitative analysis of the ferroelastic domains distribution below 118K Acta Crystallographica Section B, 2000, 56, 215-225 |
2102185 | CIF Paper | Dy2 O7 Si2 | P -1 | 6.6158; 6.6604; 12.0551 94.373; 90.836; 91.512 | 529.39 | Fleet, Michael E.; Liu, Xiaoyang Structure and complex twinning of dysprosium disilicate (Dy~2~Si~2~O~7~), Type B Acta Crystallographica Section B, 2000, 56, 940-946 |
2102172 | CIF HKL Paper | C12 H15 N O2 | P 1 21/m 1 | 8.8636; 6.605; 9.2381 90; 97.804; 90 | 535.8 | Chisholm, Greig; Kennedy, Alan R.; Wilson, Sharon; Teat, Simon J. Comparison of the structural motifs of acetoacetanilides and related azo pigments Acta Crystallographica Section B, 2000, 56, 1046-1053 |
2102132 | CIF Paper | C4 H7 N O5 | P 21 21 21 | 5.9556; 8.0972; 11.896 90; 90; 90 | 573.67 | Rychlewska, Urszula; Warżajtis, Beata Packing modes of (<i>R</i>,<i>R</i>)-tartaric acid esters and amides Acta Crystallographica Section B, 2000, 56, 833-848 |
2102059 | CIF Paper | Br2 H6 N2 Pd | P b c a | 8.4315; 8.4206; 8.0916 90; 90; 90 | 574.49 | Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S. Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state Acta Crystallographica, Section B: Structural Science, 2000, 56, 419-425 |
2102097 | CIF Paper | C10 H13 N3 O6 | P 1 | 5.3893; 9.3851; 12.3681 107.054; 98.569; 97.303 | 581.65 | J.V. Pratap; R. Ravishankar; M.Vijayan X-ray studies on crystalline complexes involving amino acids and peptides. XXXV. Invariance and variability in amino acid aggregation in the complexes of maleic acid with <small>L</small>-histidine and <small>L</small>-lysine Acta Crystallographica Section B, 2000, 56, 690-696 |
2102148 | CIF Paper | C9 H13 N5 O5 | P 1 21 1 | 8.3686; 6.7077; 11.123 90; 111.265; 90 | 581.87 | Low, John N.; Ferguson, George; Glidewell, Christopher <i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, valine, serine, threonine and methionine: interplay of molecular, molecular‒electronic and supramolecular structures Acta Crystallographica Section B, 2000, 56, 882-892 |
2102155 | CIF HKL Paper | C9 H8 N2 O6 S2 | P -1 | 8.1655; 8.2415; 9.3887 72.1417; 83.3965; 80.332 | 591.48 | Glidewell, Christopher; Low, John N; Wardell, James L Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: disulfides and thiosulfonates Acta Crystallographica Section B, 2000, 56, 893-905 |
2102153 | CIF HKL Paper | C12 H8 Cl N O2 S2 | P -1 | 7.0434; 7.8315; 11.3709 82.576; 80.69; 83.189 | 610.71 | Glidewell, Christopher; Low, John N; Wardell, James L Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: disulfides and thiosulfonates Acta Crystallographica Section B, 2000, 56, 893-905 |
2102098 | CIF Paper | C10 H18 N2 O6 | P 1 21 1 | 9.854; 7.136; 9.7388 90; 115.887; 90 | 616.1 | J.V. Pratap; R. Ravishankar; M.Vijayan X-ray studies on crystalline complexes involving amino acids and peptides. XXXV. Invariance and variability in amino acid aggregation in the complexes of maleic acid with <small>L</small>-histidine and <small>L</small>-lysine Acta Crystallographica Section B, 2000, 56, 690-696 |
2102026 | CIF Paper | C30 H22 N4 O8 | P -1 | 7.3974; 9.6352; 10.1688 64.872; 72.375; 76.612 | 620.92 | Lough, Alan J.; Wheatley, Paul S.; Ferguson, George; Glidewell, Christopher Hydrogen-bonding behaviour of benzene-1,2,4,5-tetracarboxylic acid: supramolecular structures of different dimensionality in the 2:1 adducts formed with 4,4'-bipyridyl and hexamethylenetetramine Acta Crystallographica Section B, 2000, 56, 261-272 |
2101970 | CIF Paper | C9 H20 Br N O2 | P -1 | 6.771; 7.599; 12.273 94.17; 92.04; 98.83 | 621.6 | Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg <i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16 Acta Crystallographica Section B, 2000, 56, 124-131 |
2102016 | CIF Paper | C8 H9 N O2 | P 1 21/n 1 | 6.625; 7.985; 11.916 90; 99.41; 90 | 621.9 | Boldyreva, Elena V.; Shakhtshneider, Tatiana P.; Vasilchenko, Marina A.; Ahsbahs, Hans; Uchtmann, H. Anisotropic crystal structure distortion of the monoclinic polymorph of acetaminophen at high hydrostatic pressures Acta Crystallographica Section B, 2000, 56, 299-309 |
2102179 | CIF Paper | C15 H10 Cl2 O | P -1 | 5.7082; 11.3645; 11.5167 117.268; 99.257; 96.726 | 639.735 | Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Nangia, Ashwini; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C. Crystal engineering in the <i>gem</i>-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O—H···O hydrogen bonds Acta Crystallographica Section B, 2000, 56, 1071-1079 |
9007698 | CIF | Cu6 O8 Pb | F m -3 m | 8.623; 8.623; 8.623 90; 90; 90 | 641.173 | Winkler, B.; Chall, M.; Pickard, C. J.; Milman, V.; White, J. Structure of Cu6PbO8 Note: these are model structure derived from quantum calculations This model appears to be the stable phase at high pressure Acta Crystallographica, Section B, 2000, 56, 22-26 |
2102005 | CIF Paper | Cu6 O8 Pb | F m -3m | 8.623; 8.623; 8.623 90; 90; 90 | 641.2 | Winkler, Björn; Chall, Michael; Pickard, Chris J.; Milman, Victor; White, Jim Structure of Cu~6~PbO~8~ Acta Crystallographica Section B, 2000, 56, 22-26 |
2102180 | CIF Paper | C15 H10 Cl2 O | P -1 | 5.728; 11.362; 11.521 117.24; 99.25; 96.86 | 641.866 | Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Nangia, Ashwini; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C. Crystal engineering in the <i>gem</i>-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O—H···O hydrogen bonds Acta Crystallographica Section B, 2000, 56, 1071-1079 |
2102015 | CIF Paper | C8 H9 N O2 | P 1 21/n 1 | 6.82; 8.374; 11.559 90; 99.32; 90 | 651.43 | Boldyreva, Elena V.; Shakhtshneider, Tatiana P.; Vasilchenko, Marina A.; Ahsbahs, Hans; Uchtmann, H. Anisotropic crystal structure distortion of the monoclinic polymorph of acetaminophen at high hydrostatic pressures Acta Crystallographica Section B, 2000, 56, 299-309 |
2102178 | CIF Paper | C17 H16 O | P -1 | 6.8286; 8.2407; 12.658 106.73; 98.71; 101.39 | 652 | Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Nangia, Ashwini; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C. Crystal engineering in the <i>gem</i>-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O—H···O hydrogen bonds Acta Crystallographica Section B, 2000, 56, 1071-1079 |
2102025 | CIF HKL Paper | C28 H26 N2 O3 Si2 | P -1 | 6.4358; 10.2497; 10.4056 76; 84.438; 86.372 | 662.32 | O'Leary, Brian; Spalding, Trevor R.; Ferguson, George; Glidewell, Christopher Oligosiloxanediols as building blocks for supramolecular chemistry: hydrogen-bonded adducts with amines form supramolecular structures in zero, one and two dimensions Acta Crystallographica Section B, 2000, 56, 273-286 |
2102024 | CIF HKL Paper | C29 H27 N O3 Si2 | P -1 | 6.4469; 10.2837; 10.6088 74.645; 81.968; 85.511 | 671 | O'Leary, Brian; Spalding, Trevor R.; Ferguson, George; Glidewell, Christopher Oligosiloxanediols as building blocks for supramolecular chemistry: hydrogen-bonded adducts with amines form supramolecular structures in zero, one and two dimensions Acta Crystallographica Section B, 2000, 56, 273-286 |
2102014 | CIF Paper | C8 H9 N O2 | P 1 21/n 1 | 6.885; 8.5819; 11.519 90; 99.12; 90 | 672.01 | Boldyreva, Elena V.; Shakhtshneider, Tatiana P.; Vasilchenko, Marina A.; Ahsbahs, Hans; Uchtmann, H. Anisotropic crystal structure distortion of the monoclinic polymorph of acetaminophen at high hydrostatic pressures Acta Crystallographica Section B, 2000, 56, 299-309 |
2102061 | CIF Paper | H6 I2 N2 Pd | P b c a | 8.8347; 8.841; 8.6081 90; 90; 90 | 672.36 | Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S. Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state Acta Crystallographica, Section B: Structural Science, 2000, 56, 419-425 |
2102181 | CIF Paper | C15 H10 Br2 O | P -1 | 5.7906; 11.325; 11.907 115.67; 99.43; 97.91 | 674.9 | Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Nangia, Ashwini; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C. Crystal engineering in the <i>gem</i>-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O—H···O hydrogen bonds Acta Crystallographica Section B, 2000, 56, 1071-1079 |
2102085 | CIF HKL Paper | Cu H20 N2 O14 S2 | P 1 21/a 1 | 9.0921; 12.2195; 6.3442 90; 106.277; 90 | 676.59 | Figgis, Brian N.; Sobolev, Alexandre N.; Simmons, Charles J.; Hitchman, Michael A.; Stratemeier, Horst; Riley, Mark J. Bonding effects and the crystal structures of (NH~4~)~2~[Cu(H~2~O)~6~](SO~4~)~2~ and its H~2~^18^O substituted form at 9.5K Acta Crystallographica Section B, 2000, 56, 438-443 |
2102084 | CIF HKL Paper | Cu H20 N2 O14 S2 | P 1 21/a 1 | 9.0964; 12.2225; 6.3447 90; 106.295; 90 | 677.07 | Figgis, Brian N.; Sobolev, Alexandre N.; Simmons, Charles J.; Hitchman, Michael A.; Stratemeier, Horst; Riley, Mark J. Bonding effects and the crystal structures of (NH~4~)~2~[Cu(H~2~O)~6~](SO~4~)~2~ and its H~2~^18^O substituted form at 9.5K Acta Crystallographica Section B, 2000, 56, 438-443 |
2101971 | CIF Paper | C10 H22 Br N O2 | P -1 | 6.739; 7.525; 13.67 85.61; 86.18; 79.81 | 679.3 | Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg <i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16 Acta Crystallographica Section B, 2000, 56, 124-131 |
2102154 | CIF HKL Paper | C13 H10 N2 O4 S2 | P 1 21 1 | 10.1301; 6.3474; 11.1133 90; 106.644; 90 | 684.64 | Glidewell, Christopher; Low, John N; Wardell, James L Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: disulfides and thiosulfonates Acta Crystallographica Section B, 2000, 56, 893-905 |
2102175 | CIF Paper | C10 H4 F4 O2 | P -1 | 8.9002; 9.2388; 9.6721 93.73; 98.73; 114.46 | 708.3 | Madhavi, N. N. L.; Desiraju, Gautam R.; Bilton, Claire; Howard, Judith A. K.; Allen, Frank H. Crystal engineering in the <i>gem</i>-alkynol family: interplay between strong and weak interactions in structures of 2,3,5,6-tetrahalo[F,Cl,Br]-<i>trans</i>-1,4-diethynylcyclohexa-2,5-diene-1,4-diols Acta Crystallographica Section B, 2000, 56, 1063-1070 |
2102122 | CIF HKL Paper | C6 H13 N O2 | P 1 21 1 | 9.6706; 5.2583; 14.1018 90; 98.033; 90 | 710.053 | Dalhus, Bjørn; Görbitz, Carl Henrik Structural relationships in crystals accommodating different stereoisomers of 2-amino-3-methylpentanoic acid Acta Crystallographica Section B, 2000, 56, 720-727 |
2102013 | CIF Paper | C8 H9 N O2 | P 1 21/n 1 | 6.98; 8.915; 11.566 90; 98.54; 90 | 711.7 | Boldyreva, Elena V.; Shakhtshneider, Tatiana P.; Vasilchenko, Marina A.; Ahsbahs, Hans; Uchtmann, H. Anisotropic crystal structure distortion of the monoclinic polymorph of acetaminophen at high hydrostatic pressures Acta Crystallographica Section B, 2000, 56, 299-309 |
2101972 | CIF Paper | C11 H24 Br N O2 | P -1 | 6.872; 7.519; 14.107 85.59; 87.2; 81.44 | 718.1 | Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg <i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16 Acta Crystallographica Section B, 2000, 56, 124-131 |
2101991 | CIF HKL Paper | C15 H13 N O5 S | P -1 | 6.7468; 7.4303; 15.201 85.25; 79.56; 75.39 | 724.64 | Olivato, Paulo R.; Guerrero, Sandra A.; Zukerman-Schpector, J. Preferred conformations in the solid state of some α-(<i>p</i>-phenylsulfinyl)-<i>p</i>-substituted acetophenones Acta Crystallographica Section B, 2000, 56, 112-117 |
2102062 | CIF Paper | C8 H4 Na2 O4 | P b c 21 | 3.54807; 10.81599; 18.9943 90; 90; 90 | 728.92 | Kaduk, James A. Terephthalate salts: salts of monopositive cations Acta Crystallographica Section B, 2000, 56, 474-485 |
2106073 | CIF | Bi0.868 O2 Sr | I 1 2/a 1 | 4.905; 5.112; 29.857 90; 93.45; 90 | 747.288 | Leligny, H.; Grebille, D.; Perez, O.; Masset, A.C.; Hervieu, M.; Raveau, B. A five-dimensional structural investigation of the misfit layer compound (Bi0.87 Sr O2)2 (Co O2)1.82 Acta Crystallographica B (39,1983-), 2000, 56, 173-182 |
2102109 | CIF HKL Paper | C9 H9 N O | P 1 21/a 1 | 16.047; 5.084; 9.584 90; 94.06; 90 | 779.9 | Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides Acta Crystallographica Section B, 2000, 56, 682-689 |
2102110 | CIF Paper | C9 H9 N O | P 1 21/a 1 | 16.191; 5.079; 9.509 90; 93.37; 90 | 780.6 | Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides Acta Crystallographica Section B, 2000, 56, 682-689 |
2102074 | CIF Paper | C18 H24 O3 | P 1 21 1 | 6.2321; 9.9264; 12.812 90; 97.079; 90 | 786.54 | Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality Acta Crystallographica Section B, 2000, 56, 512-525 |
2102065 | CIF Paper | C8 H5 K O4 | C 1 2/c 1 | 18.825; 3.77; 11.179 90; 94.56; 90 | 790.9 | Kaduk, James A. Terephthalate salts: salts of monopositive cations Acta Crystallographica Section B, 2000, 56, 474-485 |
2102080 | CIF Paper | C18 H24 O4 | P 1 21 1 | 6.2246; 12.014; 10.915 90; 103.09; 90 | 795.04 | Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality Acta Crystallographica Section B, 2000, 56, 512-525 |
2102077 | CIF Paper | C18 H24 O4 | P 1 21 1 | 6.2214; 12.05; 10.888 90; 103.07; 90 | 795.1 | Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality Acta Crystallographica Section B, 2000, 56, 512-525 |
2102004 | CIF Paper | Cu6 O8 Pb | F m -3m | 9.314; 9.314; 9.314 90; 90; 90 | 807.99 | Winkler, Björn; Chall, Michael; Pickard, Chris J.; Milman, Victor; White, Jim Structure of Cu~6~PbO~8~ Acta Crystallographica Section B, 2000, 56, 22-26 |
9007697 | CIF | Cu6 O8 Pb | F m -3 m | 9.314; 9.314; 9.314 90; 90; 90 | 807.995 | Winkler, B.; Chall, M.; Pickard, C. J.; Milman, V.; White, J. Structure of Cu6PbO8 Note: these are model structure derived from quantum calculations This model appears to be the stable phase at ambient conditions Acta Crystallographica, Section B, 2000, 56, 22-26 |
2102066 | CIF Paper | C8 H9 N O4 | C 1 2/c 1 | 18.924; 3.7967; 11.481 90; 98.04; 90 | 816.8 | Kaduk, James A. Terephthalate salts: salts of monopositive cations Acta Crystallographica Section B, 2000, 56, 474-485 |
2101973 | CIF HKL Paper | C5 H12 Br N O2 | P 1 21/c 1 | 7.613; 9.236; 11.853 90; 98.08; 90 | 825.2 | Rudert, Rainer; Schulz, Burkhard; Reck, Günter; Vollhardt, Dieter; Kriwanek, Jörg <i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i>~=~1,..., 16 Acta Crystallographica Section B, 2000, 56, 124-131 |
2101964 | CIF Paper | C10 H9 N O2 | P 1 21/c 1 | 17.81; 5.175; 9.534 90; 106.7; 90 | 841.66 | Nigović, Biljana; Antolić, Snježana; Kojić-Prodić, Biserka; Kiralj, Rudolf; Magnus, Volker; Salopek, Branka Correlation of structural and physico-chemical parameters with the bioactivity of alkylated derivatives of indole-3-acetic acid, a phytohormone (auxin) Acta Crystallographica Section B, 2000, 56, 94-111 |
2102111 | CIF Paper | C18 H16 Cl2 N2 O2 | P -1 | 8.733; 18.578; 5.21 91.86; 93.04; 93.21 | 842.2 | Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides Acta Crystallographica Section B, 2000, 56, 682-689 |
2102205 | CIF HKL Paper | C20 H23 N O2 | P -1 | 7.5866; 8.9294; 13.4851 95.762; 106.263; 101.386 | 847.87 | Görbitz, Carl Henrik; Hersleth, Hans-Petter Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example Acta Crystallographica Section B, 2000, 56, 1094-1102 |
2101979 | CIF Paper | C32 H56 N4 O8 | P -1 | 8.0814; 10.1981; 10.78 79.789; 80.728; 80.28 | 853.89 | Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. <i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions Acta Crystallographica Section B, 2000, 56, 39-57 |
2102106 | CIF HKL Paper | C9 H8 Cl N O | P 1 21/c 1 | 11.037; 9.075; 9.042 90; 108.42; 90 | 859.3 | Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides Acta Crystallographica Section B, 2000, 56, 682-689 |
2102203 | CIF HKL Paper | Cr0.05 K0.87 O5 P Sr0.06 Ti0.95 | P n a 21 | 12.786; 6.3927; 10.5585 90; 90; 90 | 863.02 | Norberg, Stefan T.; Streltsov, Victor A.; Svensson, Göran; Albertsson, Jörgen Dopant positions in strontium/chromium- and barium-doped KTP, determined with synchrotron X-radiation Acta Crystallographica Section B, 2000, 56, 980-987 |
2102195 | CIF Paper | C30 H44 N8 O12 | P -1 | 8.7336; 10.9388; 11.0284 114.58; 91.966; 111.674 | 868.09 | Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Adducts of <i>meso</i> and racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane with trigonally trisubstituted benzene carboxylic acids: supramolecular structures in one and two dimensions Acta Crystallographica Section B, 2000, 56, 1054-1062 |
2102213 | CIF Paper | C19 H25.58 O3.79 | P -1 | 7.5712; 9.1543; 13.5964 73.691; 75.46; 80.517 | 870.95 | Görbitz, Carl Henrik; Hersleth, Hans-Petter Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example Acta Crystallographica Section B, 2000, 56, 1094-1102 |
2102107 | CIF Paper | C9 H8 Cl N O | P 1 21/c 1 | 11.398; 9.33; 8.698 90; 108.95; 90 | 874.8 | Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides Acta Crystallographica Section B, 2000, 56, 682-689 |
2102204 | CIF Paper | Ba0.06 K0.88 O5 P Ti | P n a 21 | 12.851; 6.418; 10.62 90; 90; 90 | 875.9 | Norberg, Stefan T.; Streltsov, Victor A.; Svensson, Göran; Albertsson, Jörgen Dopant positions in strontium/chromium- and barium-doped KTP, determined with synchrotron X-radiation Acta Crystallographica Section B, 2000, 56, 980-987 |
2102048 | CIF Paper | C18 H16 N2 O4 S2 | P 1 21/c 1 | 9.0603; 10.6109; 9.4613 90; 101.893; 90 | 890.1 | Nagel, Norbert; Bock, Hans; Eller, Peter Dimorphism and inclusion compounds of <i>N</i>,<i>N</i>'-di(benzenesulfonyl)-<i>p</i>-phenylenediamine Acta Crystallographica Section B, 2000, 56, 234-244 |
2102049 | CIF Paper | C18 H16 N2 O4 S2 | P 1 21/n 1 | 10.6449; 6.451; 13.1061 90; 96.195; 90 | 894.74 | Nagel, Norbert; Bock, Hans; Eller, Peter Dimorphism and inclusion compounds of <i>N</i>,<i>N</i>'-di(benzenesulfonyl)-<i>p</i>-phenylenediamine Acta Crystallographica Section B, 2000, 56, 234-244 |
2101976 | CIF Paper | C40 H56 N4 O4 | P -1 | 8.6323; 9.943; 12.582 98.783; 102.785; 115.746 | 909.8 | Gregson, Richard M.; Glidewell, Christopher; Ferguson, George; Lough, Alan J. <i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane as a building block in supramolecular chemistry; salts formed with 2,2'-biphenol, 4,4'-biphenol, 4,4'-thiodiphenol, 4,4'-sulfonyldiphenol, 3- and 4-hydroxybenzoic acids, 3,5-dihydroxybenzoic acid and phenylphosphonic acid; supramolecular structures in zero, one, two and three dimensions Acta Crystallographica Section B, 2000, 56, 39-57 |
2102046 | CIF Paper | C38 H34 As2 Cl4 Pt | P -1 | 9.3899; 9.5481; 11.931 109.7; 108.26; 98.77 | 915.6 | Johansson, Maria H.; Otto, Stefanus; Roodt, Andreas; Oskarsson, Åke Packing effects on the geometry of neutral platinum(II) complexes due to solvate molecules: the structure of <i>trans</i>-dichlorobis(triphenylarsine)platinum(II) Acta Crystallographica Section B, 2000, 56, 226-233 |
2102200 | CIF HKL Paper | Ca2 H8 O11 P2 | P 1 21/c 1 | 12.287; 7.511; 10.775 90; 112.542; 90 | 918.4 | Balić-Zunić, Tonci; Christoffersen, Margaret R.; Christoffersen, Jørgen Structure of the β form of calcium pyrophosphate tetrahydrate Acta Crystallographica Section B, 2000, 56, 953-958 |
2102206 | CIF Paper | C20 H26 O3 S | P -1 | 7.8841; 9.1401; 13.6505 90.975; 105.924; 100.892 | 926.41 | Görbitz, Carl Henrik; Hersleth, Hans-Petter Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example Acta Crystallographica Section B, 2000, 56, 1094-1102 |
2102134 | CIF Paper | C6 H14 N2 O5 | P 21 21 21 | 5.094; 11.243; 16.295 90; 90; 90 | 933.2 | Rychlewska, Urszula; Warżajtis, Beata Packing modes of (<i>R</i>,<i>R</i>)-tartaric acid esters and amides Acta Crystallographica Section B, 2000, 56, 833-848 |
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