Crystallography Open Database

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1009025 CIFHf0.4 O3 Pb Ti0.6P 4 m m3.999; 3.999; 4.12
90; 90; 90
65.9Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M
Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3
Acta Crystallographica B (39,1983-), 1999, 55, 8-16
1009026 CIFHf0.4 O3 Pb Ti0.6P 4 m m4.012; 4.012; 4.1
90; 90; 90
66Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M
Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3
Acta Crystallographica B (39,1983-), 1999, 55, 8-16
1009027 CIFHf0.4 O3 Pb Ti0.6P m -3 m4.046; 4.046; 4.046
90; 90; 90
66.2Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M
Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3
Acta Crystallographica B (39,1983-), 1999, 55, 8-16
2002945 CIF
Paper
Na O3 TaP 4/m b m5.55465; 5.55465; 3.93426
90; 90; 90
121.388Darlington, C. N. W.; Knight, K. S.
High-temperature phases of NaNbO~3~ and NaTaO~3~
Acta Crystallographica Section B, 1999, 55, 24-30
2002944 CIF
Paper
Na Nb O3P 4/m b m5.56896; 5.56896; 3.94408
90; 90; 90
122.319Darlington, C. N. W.; Knight, K. S.
High-temperature phases of NaNbO~3~ and NaTaO~3~
Acta Crystallographica Section B, 1999, 55, 24-30
2105681 CIF
Paper
O1.879 Y0.242 Zr0.758F m -3 m5.15463; 5.15463; 5.15463
90; 90; 90
136.96Ishizawa, N.; Matsushima, Y.; Hayashi, M.; Ueki, M.
Synchrotron radiation study of yttria-stabilized zirconia, Zr~0.758~Y~0.242~O~1.879~
Acta Crystallographica Section B, 1999, 55, 726-735
2105682 CIF
Paper
O1.879 Y0.242 Zr0.758F m -3 m5.15463; 5.15463; 5.15463
90; 90; 90
136.96Ishizawa, N.; Matsushima, Y.; Hayashi, M.; Ueki, M.
Synchrotron radiation study of yttria-stabilized zirconia, Zr~0.758~Y~0.242~O~1.879~
Acta Crystallographica Section B, 1999, 55, 726-735
2107334 CIFO1.7096 Y0.242 Zr0.7576F m -3 m5.15463; 5.15463; 5.15463
90; 90; 90
136.96Ishizawa, N.; Hayashi, M.; Matsushima, Y.; Ueki, M.
Synchrotron radiation study of yttria-stabilized zirconia, Zr0.758 Y0.242 O1.879
Acta Crystallographica B (39,1983-), 1999, 55, 726-735
2003112 CIF
Paper
C H4 N2 OP -4 21 m5.589; 5.589; 4.6947
90; 90; 90
146.65Zavodnik, Valery; Stash, Adam; Tsirelson, Vladimir; de Vries, Roelof; Feil, Dirk
Electron density study of urea using TDS-corrected X-ray diffraction data: quantitative comparison of experimental and theoretical results
Acta Crystallographica Section B, 1999, 55, 45-54
2003125 CIF
HKL
Paper
Dy Fe O3P n m a5.5957; 7.629; 5.3009
90; 90; 90
226.29Streltsov, V. A.; Ishizawa, N.
Synchrotron X-ray study of the electron density in <i>R</i>FeO~3~ (<i>R</i> = Nd, Dy)
Acta Crystallographica Section B, 1999, 55, 1-7
2002929 CIF
Paper
C12 H8 O4P -13.7061; 7.4688; 8.535
86.62; 85.49; 87.99
235Kaduk, J.A.; Golab, J.T.
Structures of 2,6-disubstituted naphthalenes
Acta Crystallographica Section B, 1999, 55, 85-94
2003124 CIF
HKL
Paper
Fe Nd O3P n m a5.5887; 7.7619; 5.4489
90; 90; 90
236.37Streltsov, V. A.; Ishizawa, N.
Synchrotron X-ray study of the electron density in <i>R</i>FeO~3~ (<i>R</i> = Nd, Dy)
Acta Crystallographica Section B, 1999, 55, 1-7
2003131 CIF
Paper
Nb0.5 O3 Sr Yb0.5P 1 21/n 15.79095; 5.8221; 8.20358
90; 90.1262; 90
276.59Yang, Jae Ho; Choo, Woong Kil; Lee, Jin Ho; Lee, Chang Hee
The Crystal Structure of B-site Ordered Complex Perovskite SrYb~0.5~Nb~0.5~O~3~
Acta Crystallographica, Section B, 1999, 55, 348-354
2003132 CIF
Paper
Nb0.5 O3 Sr Yb0.5P 1 21/n 15.79095; 5.8221; 8.20358
90; 90.1262; 90
276.59Yang, Jae Ho; Choo, Woong Kil; Lee, Jin Ho; Lee, Chang Hee
The Crystal Structure of B-site Ordered Complex Perovskite SrYb~0.5~Nb~0.5~O~3~
Acta Crystallographica, Section B, 1999, 55, 348-354
2105556 CIF
Paper
Mo3 O8 Zn2P 63 m c5.77322; 5.77322; 9.91231
90; 90; 120
286.116Hibble, Simon J.; Cooper, Steven P.; Patat, Saban; Hannon, Alex. C.
Total neutron diffraction: a route to the correct local structure of disordered LaMo~2~O~5~ and its application to the model compound Zn~2~Mo~3~O~8~
Acta Crystallographica Section B, 1999, 55, 683-697
2105533 CIF
Paper
C6 H2 F4 O2P 1 21/n 16.5533; 4.8848; 10.148
90; 107.99; 90
308.97Thalladi, Venkat R.; Weiss, Hans-Christoph; Boese, Roland; Nangia, Ashwini; Desiraju, Gautam R.
A comparative study of the crystal structures of tetrahalogenated hydroquinones and γ-hydroquinone
Acta Crystallographica Section B, 1999, 55, 1005-1013
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
2003104 CIF
Paper
C12 H26 N2 O4P 15.1933; 5.4064; 13.6968
91.516; 98.603; 110.376
355.16Dalhus, Bjørn; Görbitz, Carl Henrik
Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series
Acta Crystallographica Section B, 1999, 55, 424-431
2105586 CIF
Paper
C7 H8 O2 SP -17.5941; 7.8219; 7.9811
63.112; 64.66; 89.636
371.7Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.
Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents
Acta Crystallographica Section B, 1999, 55, 963-974
2003130 CIF
HKL
Paper
Al Li O6 Si2C 1 2/c 19.456; 8.386; 5.216
90; 110.13; 90
388.35Kuntzinger, Sandrine; Ghermani, Nour Eddine
Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data
Acta Crystallographica Section B, 1999, 55, 273-284
2003129 CIF
HKL
Paper
Al Li O6 Si2C 1 2/c 19.462; 8.392; 5.221
90; 110.18; 90
389.12Kuntzinger, Sandrine; Ghermani, Nour Eddine
Electron density distribution and Madelung potential in α-spodumene, LiAl(SiO~3~)~2~, from two-wavelength high-resolution X-ray diffraction data
Acta Crystallographica Section B, 1999, 55, 273-284
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
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
2105677 CIF
Paper
C2 H2 Cl Li O2P 1 21/c 19.3882; 4.8452; 9.0119
90; 94.33; 90
408.76Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M.
Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction
Acta Crystallographica Section B, 1999, 55, 517-524
2105557 CIF
Paper
N O PI 1 2/a 18.5194; 4.7448; 10.397
90; 90.013; 90
420.276Haines, J.; Chateau, C.; Léger, J. M.; Le Sauze, A.; Diot, N.; Marchand, R.; Hull, S.
Crystal structure of moganite-type phosphorus oxynitride: relationship to other twinned-quartz-based structures
Acta Crystallographica Section B, 1999, 55, 677-682
2105678 CIF
Paper
C2 H2 Br Li O2P 1 21/c 19.7165; 4.861; 9.0228
90; 93.946; 90
425.15Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M.
Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction
Acta Crystallographica Section B, 1999, 55, 517-524
2105679 CIF
Paper
C2 H2 I Li O2P 1 21/c 110.1812; 4.8922; 9.0468
90; 93.251; 90
449.88Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M.
Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction
Acta Crystallographica Section B, 1999, 55, 517-524
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
2002925 CIF
HKL
Paper
Be F4 H8 N2P n m a7.531; 5.874; 10.399
90; 90; 90
460Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F.
Neutron structures of ammonium tetrafluoroberyllate
Acta Crystallographica Section B, 1999, 55, 17-23
2105534 CIF
Paper
C6 H2 Br4 O2P 1 21/n 18.8907; 4.7316; 11.0612
90; 92.167; 90
464.981Thalladi, Venkat R.; Weiss, Hans-Christoph; Boese, Roland; Nangia, Ashwini; Desiraju, Gautam R.
A comparative study of the crystal structures of tetrahalogenated hydroquinones and γ-hydroquinone
Acta Crystallographica Section B, 1999, 55, 1005-1013
2105559 CIF
Paper
Cs2 H3 O8 P SP 1 21/n 17.856; 7.732; 7.827
90; 99.92; 90
468.3Chisholm, Calum R. I.; Haile, Sossina M.
Structure and thermal behavior of the new superprotonic conductor Cs~2~(HSO~4~)(H~2~PO~4~)
Acta Crystallographica Section B, 1999, 55, 937-946
2002943 CIF
Paper
Na O3 TaC m c m7.83729; 7.84887; 7.85728
90; 90; 90
483.332Darlington, C. N. W.; Knight, K. S.
High-temperature phases of NaNbO~3~ and NaTaO~3~
Acta Crystallographica Section B, 1999, 55, 24-30
2107401 CIFCu8 Ge S6P m n 217.0445; 6.9661; 9.8699
90; 90; 90
484.343Onoda, M.; Sato, A.; Chen, X.-A.; Wada, H.; Kato, K.
Structure refinement of Cu8 GeS 6 using x-ray diffraction data from a multiple-twinned crystal
Acta Crystallographica B (39,1983-), 1999, 55, 721-725
2002942 CIF
Paper
Na Nb O3C m c m7.85758; 7.86793; 7.8765
90; 90; 90
486.948Darlington, C. N. W.; Knight, K. S.
High-temperature phases of NaNbO~3~ and NaTaO~3~
Acta Crystallographica Section B, 1999, 55, 24-30
2003056 CIF
Paper
C14 H27 Co N10 O2P 17.635; 8.202; 9.442
109.08; 103.46; 107.03
497.7Steve C.F. Au-Yeung
Crystal structures of [18]aneN~6~H~2~K[Co(CN)~6~].4H~2~O, [16]aneN~4~H~2~K[Co(CN)~6~] and [12]aneN~4~H~3~[Co(CN)~6~].2H~2~O. Insight into the electrostatic and hydrogen-bonding interaction in self-assembling supercomplexes
Acta Crystallographica Section B, 1999, 55, 389-395
2105634 CIF
Paper
O12 Re2 Tm5C 1 2/m 112.3717; 5.6744; 7.4805
90; 107.816; 90
499.96Ehrenberg, H.; Hartmann, T.; Wltschek, G.; Fuess, H.; Morgenroth, W.; Krane, H.-G.
The crystal structure of Tm~5~Re~2~O~12~
Acta Crystallographica Section B, 1999, 55, 849-852
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
2105585 CIF
Paper
C5 H6 O SP 21 21 216.641; 7.109; 11.594
90; 90; 90
547.4Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.
Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents
Acta Crystallographica Section B, 1999, 55, 963-974
2105584 CIF
Paper
C5 H6 O SP 1 21/a 16.848; 7.54; 11.111
90; 106.01; 90
551.5Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.
Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents
Acta Crystallographica Section B, 1999, 55, 963-974
2105587 CIF
Paper
C5 H3 N O SP 1 21/n 17.516; 8.332; 9.059
90; 100.19; 90
558.4Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.
Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents
Acta Crystallographica Section B, 1999, 55, 963-974
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
2003051 CIF
HKL
Paper
C6 H6 N2 OP 1 21/c 13.877; 15.6; 9.375
90; 98.45; 90
560.9Yoshihisa Miwa; Takashi Mizuno; Kazunori Tsuchida; Tooru Taga; Yutaka Iwata
Experimental charge density and electrostatic potential in nicotinamide
Acta Crystallographica Section B, 1999, 55, 78-84
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
2003052 CIFC6 H6 N2 OP 1 21/c 13.975; 15.632; 9.422
90; 99.03; 90
578.2Yoshihisa Miwa; Takashi Mizuno; Kazunori Tsuchida; Tooru Taga; Yutaka Iwata
Experimental Charge Density and Electrostatic Potential in Nicotinamide
Acta Crystallographica, Section B, 1999, 55, 78-84
2003053 CIFC6 H6 N2 OP 1 21/c 13.975; 15.632; 9.422
90; 99.03; 90
578.2Yoshihisa Miwa; Takashi Mizuno; Kazunori Tsuchida; Tooru Taga; Yutaka Iwata
Experimental Charge Density and Electrostatic Potential in Nicotinamide
Acta Crystallographica, Section B, 1999, 55, 78-84
2002930 CIF
Paper
C14 H12 O4P 1 21/c 113.41931; 6.14869; 7.15257
90; 100.4; 90
580.471Kaduk, J.A.; Golab, J.T.
Structures of 2,6-disubstituted naphthalenes
Acta Crystallographica Section B, 1999, 55, 85-94
2105637 CIF
Paper
Cl2 H8 Ni O4P 1 21/n 15.961; 9.273; 10.891
90; 100.02; 90
592.8Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.
Charge density in NiCl~2~.4H~2~O at 295 and 30K
Acta Crystallographica Section B, 1999, 55, 830-840
2105638 CIF
Paper
Cl2 H8 Ni O4P 1 21/n 15.968; 9.283; 10.897
90; 100.08; 90
594.4Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.
Charge density in NiCl~2~.4H~2~O at 295 and 30K
Acta Crystallographica Section B, 1999, 55, 830-840
2105623 CIF
Paper
C12 H11 N3 O2P -16.878; 8.241; 11.395
105.21; 96.62; 102.92
597Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Vaughan, Keith; Jollimore, Jason V.
Interplay of hydrogen bonding and other molecular interactions in determining the crystal packing of a series of <i>anti</i>-β-ketoarylhydrazones
Acta Crystallographica Section B, 1999, 55, 994-1004
2105635 CIF
Paper
Cl2 H8 Ni O4P 1 21/n 15.985; 9.291; 10.931
90; 100.32; 90
598Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.
Charge density in NiCl~2~.4H~2~O at 295 and 30K
Acta Crystallographica Section B, 1999, 55, 830-840
2003098 CIF
Paper
C9 H20 N2 O4P 1 21 19.8944; 4.7425; 12.9045
90; 93.374; 90
604.48Dalhus, Bjørn; Görbitz, Carl Henrik
Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series
Acta Crystallographica Section B, 1999, 55, 424-431
2105636 CIF
Paper
Cl2 H8 Ni O4P 1 21/n 16.006; 9.338; 10.986
90; 100.45; 90
605.9Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.
Charge density in NiCl~2~.4H~2~O at 295 and 30K
Acta Crystallographica Section B, 1999, 55, 830-840
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
2105588 CIF
Paper
C5 H6 O S2P n 21 a19.513; 8.083; 4.046
90; 90; 90
638.1Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.
Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents
Acta Crystallographica Section B, 1999, 55, 963-974
2003103 CIF
Paper
C11 H24 N2 O4P 1 21 15.2528; 23.9809; 5.42
90; 110.42; 90
639.84Dalhus, Bjørn; Görbitz, Carl Henrik
Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series
Acta Crystallographica Section B, 1999, 55, 424-431
2003085 CIF
Paper
C38 H18 O12 S2P -18.63; 8.968; 9.876
97.91; 102.37; 108.61
689.8Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal
The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions
Acta Crystallographica, Section B: Structural Science, 1999, 55, 410-423
2105645 CIF
Paper
C5 H10 N2 O4P 21 21 217.275; 9.097; 10.507
90; 90; 90
695.4Görbitz, Carl Henrik
What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal
Acta Crystallographica Section B, 1999, 55, 1090-1098
2105646 CIF
Paper
C5 H10 N2 O4P 21 21 217.275; 9.097; 10.507
90; 90; 90
695.4Görbitz, Carl Henrik
What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal
Acta Crystallographica Section B, 1999, 55, 1090-1098
2105647 CIF
Paper
C5 H10 N2 O4P 21 21 217.275; 9.097; 10.507
90; 90; 90
695.4Görbitz, Carl Henrik
What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal
Acta Crystallographica Section B, 1999, 55, 1090-1098
2105648 CIF
Paper
C5 H10 N2 O4P 21 21 217.275; 9.097; 10.507
90; 90; 90
695.4Görbitz, Carl Henrik
What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal
Acta Crystallographica Section B, 1999, 55, 1090-1098
2105649 CIF
Paper
C5 H10 N2 O4P 21 21 217.275; 9.097; 10.507
90; 90; 90
695.4Görbitz, Carl Henrik
What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal
Acta Crystallographica Section B, 1999, 55, 1090-1098
2105650 CIF
Paper
C5 H10 N2 O4P 21 21 217.275; 9.097; 10.507
90; 90; 90
695.4Görbitz, Carl Henrik
What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal
Acta Crystallographica Section B, 1999, 55, 1090-1098
2105651 CIF
Paper
C5 H10 N2 O4P 21 21 217.275; 9.097; 10.507
90; 90; 90
695.4Görbitz, Carl Henrik
What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal
Acta Crystallographica Section B, 1999, 55, 1090-1098
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
2003109 CIF
Paper
C10 H15 LiR 3 m :H14.7711; 14.7711; 3.82206
90; 90; 120
722.19Robert E. Dinnebier
Disorder determined by high-resolution powder diffraction: structure of pentamethylcyclopentadienyllithium
Acta Crystallographica Section B, 1999, 55, 35-44
2002932 CIF
HKL
Paper
C6 H2 Cl2 N2 O2C 1 2/c 111.397; 8.871; 7.222
90; 95.12; 90
727.3Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B, 1999, 55, 530-542
2002934 CIF
HKL
Paper
C6 H2 Cl2 N2 O2P 1 21/n 17.0679; 11.7502; 9.0114
90; 98.563; 90
740.05Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B, 1999, 55, 530-542
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
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
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
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
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
2002933 CIF
HKL
Paper
C6 H2 Cl2 N2 O2C 1 2/c 111.554; 8.926; 7.31
90; 96.1; 90
749.6Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B, 1999, 55, 530-542
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
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
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
2002936 CIF
HKL
Paper
C6 H2 Cl2 N2 O2C 1 2/c 17.2233; 9.0549; 11.57
90; 95.315; 90
753.5Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B, 1999, 55, 530-542
2002935 CIF
HKL
Paper
C6 H2 Cl2 N2 O2P 1 21/n 17.1739; 11.8351; 9.0639
90; 98.35; 90
761.4Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B, 1999, 55, 530-542
2002937 CIF
HKL
Paper
C6 H2 Cl2 N2 O2C 1 2/c 17.293; 9.061; 11.618
90; 96.12; 90
763.4Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B, 1999, 55, 530-542
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
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
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
2002906 CIF
Paper
C6 H17 I3 N2 O11P 1 21 18.36; 6.33; 14.75
90; 92.86; 90
779.6A. M. Petrosyan; R. P. Sukiasyan; S. S. Terzyan; V. M. Burbelo
Interaction of lysine with iodic acid
Acta Crystallographica Section B, 1999, 55, 221-225
2002938 CIF
HKL
Paper
C8 H2 Cl2 O3C 1 2/c 111.987; 8.994; 7.423
90; 92.91; 90
799.2Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B, 1999, 55, 530-542
2105675 CIF
HKL
Paper
C10 H10 O2P 1 21/c 18.006; 5.482; 19.444
90; 110.46; 90
799.5Herbstein, Frank H.; Iversen, Bo Brummerstedt; Kapon, Moshe; Larsen, Finn Krebs; Madsen, Georg Kent Hellerup; Reisner, George M.
X-ray and neutron diffraction study of benzoylacetone in the temperature range 8–300 K: comparison with other <i>cis</i>-enol molecules
Acta Crystallographica Section B, 1999, 55, 767-787
2105676 CIF
HKL
Paper
C10 H10 O2P 1 21/c 18.027; 5.483; 19.478
90; 110.42; 90
803.4Herbstein, Frank H.; Iversen, Bo Brummerstedt; Kapon, Moshe; Larsen, Finn Krebs; Madsen, Georg Kent Hellerup; Reisner, George M.
X-ray and neutron diffraction study of benzoylacetone in the temperature range 8–300 K: comparison with other <i>cis</i>-enol molecules
Acta Crystallographica Section B, 1999, 55, 767-787
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
2002939 CIF
Paper
C8 H2 Br2 O3C -112.923; 9.209; 7.628
105.08; 99.2; 81.29
859.5Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z.
Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide
Acta Crystallographica Section B, 1999, 55, 530-542
2002917 CIF
Paper
C7 H11 N5 O2P 1 21/n 17.4889; 17.273; 7.4073
90; 111.937; 90
888.8Chernyshev, Vladimir V.; Fitch, Andrew N.; Sonneveld, Eduard J.; Kurbakov, Alexander I.; Makarov, Vadim A.; Tafeenko, Victor A.
Crystal and molecular structures of 2-[1-(2-aminoethyl)-2-imidazolidinylidene]-2-nitroacetonitrile (C~7~H~11~N~5~O~2~) and 2,6-diamino-5-hydroxy-3-nitro-4<i>H</i>-pyrazolo[1,5-<i>a</i>]pyrimidin-7-one monohydrate (C~6~H~6~N~6~O~4~·H~2~O) from X-ray, synchrotron and neutron powder diffraction data
Acta Crystallographica Section B, 1999, 55, 554-562
2002918 CIF
Paper
C6 H8 N6 O5P 1 21/n 117.576; 10.9; 4.6738
90; 92.867; 90
894.3Chernyshev, Vladimir V.; Fitch, Andrew N.; Sonneveld, Eduard J.; Kurbakov, Alexander I.; Makarov, Vadim A.; Tafeenko, Victor A.
Crystal and molecular structures of 2-[1-(2-aminoethyl)-2-imidazolidinylidene]-2-nitroacetonitrile (C~7~H~11~N~5~O~2~) and 2,6-diamino-5-hydroxy-3-nitro-4<i>H</i>-pyrazolo[1,5-<i>a</i>]pyrimidin-7-one monohydrate (C~6~H~6~N~6~O~4~·H~2~O) from X-ray, synchrotron and neutron powder diffraction data
Acta Crystallographica Section B, 1999, 55, 554-562
2002928 CIF
Paper
C12 H12P b c a7.4544; 6.0826; 20.0946
90; 90; 90
911.13Kaduk, J.A.; Golab, J.T.
Structures of 2,6-disubstituted naphthalenes
Acta Crystallographica Section B, 1999, 55, 85-94
2002927 CIF
HKL
Paper
Be F4 H8 N2P n a 2114.997; 5.86; 10.402
90; 90; 90
914.2Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F.
Neutron structures of ammonium tetrafluoroberyllate
Acta Crystallographica Section B, 1999, 55, 17-23
2003135 CIF
Paper
C20 H20 Cl14 Hg3 N4P -19.907; 13.226; 7.282
84.41; 74.81; 87.34
916.2Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick
Polynuclear chloromercurate(II) systems in their chloropyridinium salts
Acta Crystallographica Section B, 1999, 55, 396-409
2002926 CIF
HKL
Paper
Be F4 H8 N2P n a 2115.017; 5.876; 10.418
90; 90; 90
919.3Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F.
Neutron structures of ammonium tetrafluoroberyllate
Acta Crystallographica Section B, 1999, 55, 17-23
2105553 CIF
Paper
C4 H16 N4 Ni O14 V6P 1 21/c 18.9311; 17.127; 6.627
90; 111.61; 90
942.4Zavalij, Peter Y.; Zhang, Fan; Whittingham, M. Stanley
Crystal structure of layered bis(ethylenediamine)nickel hexavanadate as a new representative of the V~6~O~14~ series
Acta Crystallographica Section B, 1999, 55, 953-962
2105643 CIF
Paper
As O5 Rb TiP n a 2113.218; 6.65; 10.761
90; 90; 90
945.89Almgren, Jenni; Streltsov, Victor A.; Sobolev, Alexander N.; Figgis, Brian N.; Albertsson, Jörgen
Structure of and electron density in RbTiOAsO~4~ at 9.6K
Acta Crystallographica Section B, 1999, 55, 712-720
2105644 CIF
Paper
As O5 Rb TiP n a 2113.261; 6.6791; 10.769
90; 90; 90
953.8Almgren, Jenni; Streltsov, Victor A.; Sobolev, Alexander N.; Figgis, Brian N.; Albertsson, Jörgen
Structure of and electron density in RbTiOAsO~4~ at 9.6K
Acta Crystallographica Section B, 1999, 55, 712-720
2105672 CIF
Paper
Cu8 Ge S6P m n 219.9073; 9.9073; 9.8703
90; 90; 90.642
968.75Onoda, Mitsuko; Chen, Xue-An; Kato, Katsuo; Sato, Akira; Wada, Hiroaki
Structure refinement of Cu~8~GeS~6~ using X-ray diffraction data from a multiple-twinned crystal
Acta Crystallographica Section B, 1999, 55, 721-725
2105674 CIF
Paper
Cl4 Cs2 HgP n m a9.7729; 7.5276; 13.3727
90; 90; 90
983.78Bagautdinov, Bagautdin; Pilz, Katrin; Ludecke, Jens; van Smaalen, Sander
Modulated structures of Cs~2~HgCl~4~: the 5<i>a</i> superstructure at 185 K and the 3<i>c</i> superstructure at 176 K
Acta Crystallographica Section B, 1999, 55, 886-895
2105673 CIF
Paper
Cl4 Cs2 HgP n m a9.789; 7.541; 13.418
90; 90; 90
990.5Bagautdinov, Bagautdin; Pilz, Katrin; Ludecke, Jens; van Smaalen, Sander
Modulated structures of Cs~2~HgCl~4~: the 5<i>a</i> superstructure at 185 K and the 3<i>c</i> superstructure at 176 K
Acta Crystallographica Section B, 1999, 55, 886-895
2003137 CIF
HKL
Paper
C10 H10 Cl8 Hg2 N2C 1 2/m 113.447; 7.534; 9.939
90; 97.48; 90
998.3Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick
Polynuclear chloromercurate(II) systems in their chloropyridinium salts
Acta Crystallographica Section B, 1999, 55, 396-409
2003057 CIF
Paper
C24 H21 O6 PP -18.507; 10.613; 12.457
80.05; 71.38; 76.69
1031.2Cho, Ching-Sheng; Dr Liau, Wen-Bin; Dr Chen, Leo-Wang
Single-crystal structure analysis of a novel aryl phosphinate diglycidyl ether
Acta Crystallographica Section B, 1999, 55, 525-529
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
2105669 CIF
Paper
Eu0.976 Mo7.1 O14 V1.13Cmca(00\g)s0011.306; 10.025; 9.254
90; 90; 90
1048.87Leligny, H.; Grebille, D.; Roussel, P.; Labbé, Ph.; Hervieu, M.; Raveau, B.; Tortelier, J.; Gougeon, P.
Cluster configurations in modulated EuV~<i>x~</i>Mo~8{±~<i>y</i>}O~14~ crystals
Acta Crystallographica Section B, 1999, 55, 467-483
2105670 CIF
Paper
Eu0.986 Mo7.3 O14 V1.1Cmca(00\g)s0011.325; 10.024; 9.24
90; 90; 90
1048.94Leligny, H.; Grebille, D.; Roussel, P.; Labbé, Ph.; Hervieu, M.; Raveau, B.; Tortelier, J.; Gougeon, P.
Cluster configurations in modulated EuV~<i>x~</i>Mo~8{±~<i>y</i>}O~14~ crystals
Acta Crystallographica Section B, 1999, 55, 467-483
2105671 CIF
Paper
Eu Mo7.96 O14Cmca(00\g)s0011.315; 10.035; 9.265
90; 90; 90
1052Leligny, H.; Grebille, D.; Roussel, P.; Labbé, Ph.; Hervieu, M.; Raveau, B.; Tortelier, J.; Gougeon, P.
Cluster configurations in modulated EuV~<i>x~</i>Mo~8{±~<i>y</i>}O~14~ crystals
Acta Crystallographica Section B, 1999, 55, 467-483
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
2105624 CIF
Paper
C10 H8 N4 O3P 1 21/n 17.184; 19.491; 8.084
90; 109.27; 90
1068.5Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Vaughan, Keith; Jollimore, Jason V.
Interplay of hydrogen bonding and other molecular interactions in determining the crystal packing of a series of <i>anti</i>-β-ketoarylhydrazones
Acta Crystallographica Section B, 1999, 55, 994-1004
2105620 CIF
Paper
C11 H11 N3 OP 1 21/n 17.052; 13.211; 11.996
90; 104.96; 90
1079.7Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Vaughan, Keith; Jollimore, Jason V.
Interplay of hydrogen bonding and other molecular interactions in determining the crystal packing of a series of <i>anti</i>-β-ketoarylhydrazones
Acta Crystallographica Section B, 1999, 55, 994-1004
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
2105590 CIF
Paper
C13 H8 Cl2 OI 1 2/c 124.527; 6.064; 7.457
90; 100.1; 90
1091.9Mitkevich, V. V.; Lirtsman, V. G.; Strzhemechny, M. A.; Avdeenko, A. A.; Eremenko, V. V.
Investigation of the structural phase transitions near 190K in 4,4'-dichlorobenzophenone
Acta Crystallographica Section B, 1999, 55, 799-806
2105619 CIF
Paper
C11 H8 N4 OP 1 21/n 17.196; 14.125; 10.862
90; 97.34; 90
1095Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Vaughan, Keith; Jollimore, Jason V.
Interplay of hydrogen bonding and other molecular interactions in determining the crystal packing of a series of <i>anti</i>-β-ketoarylhydrazones
Acta Crystallographica Section B, 1999, 55, 994-1004
2105621 CIF
Paper
C12 H11 N3 O2P 1 21/n 18.638; 10.841; 12.208
90; 94.69; 90
1139.4Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Vaughan, Keith; Jollimore, Jason V.
Interplay of hydrogen bonding and other molecular interactions in determining the crystal packing of a series of <i>anti</i>-β-ketoarylhydrazones
Acta Crystallographica Section B, 1999, 55, 994-1004
2105622 CIF
Paper
C11 H11 N3 O2P n m a15.236; 6.618; 11.379
90; 90; 90
1147.4Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Vaughan, Keith; Jollimore, Jason V.
Interplay of hydrogen bonding and other molecular interactions in determining the crystal packing of a series of <i>anti</i>-β-ketoarylhydrazones
Acta Crystallographica Section B, 1999, 55, 994-1004
2105555 CIF
Paper
La Mo2 O5P 63/m m c8.368; 8.368; 19.13687
90; 90; 120
1160.5Hibble, Simon J.; Cooper, Steven P.; Patat, Saban; Hannon, Alex C.
Total neutron diffraction: a route to the correct local structure of disordered LaMo~2~O~5~ and its application to the model compound Zn~2~Mo~3~O~8~
Acta Crystallographica Section B, 1999, 55, 683-697
2105583 CIF
Paper
C12 H10 N2 O2 S2P 1 21/c 19.162; 11.121; 12.033
90; 104.388; 90
1187.6Lynch, Daniel E.; Nicholls, Laura J.; Smith, Graham; Byriel, Karl A.; Kennard, Colin H. L.
Molecular co-crystals of 2-aminothiazole derivatives
Acta Crystallographica Section B, 1999, 55, 758-766
2105579 CIF
Paper
C12 H13 N3 O2 SP 1 21/c 18.771; 13.344; 11.036
90; 108.314; 90
1226.2Lynch, Daniel E.; Nicholls, Laura J.; Smith, Graham; Byriel, Karl A.; Kennard, Colin H. L.
Molecular co-crystals of 2-aminothiazole derivatives
Acta Crystallographica Section B, 1999, 55, 758-766
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
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
2107359 CIFK2.35 Nb5 O15 Pb3.65C m 2 m17.779; 18.015; 3.9209
90; 90; 90
1255.82Sciau, P.; Calvarin, G.; Ravez, J.
Structures des phases paraelectriques et ferroelectriques de Pb2 K Nb5 O15
Acta Crystallographica B (39,1983-), 1999, 55, 459-466
2105550 CIF
Paper
C5 H16 Cl4 Co N2P 1 21/c 17.1633; 15.94; 11.137
90; 98.44; 90
1257.9Criado, J. J.; Jiménez-Sánchez, A.; Cano, F. H.; Sáez-Puche, R.; Rodríguez-Fernández, E.
Preparation and characterization of tetrachlorocobaltates(II) of α,ω-alkylenediammonium. Magnetic and thermal properties. Crystal structure of [NH~3~(CH~2~)~5~NH~3~]CoCl~4~
Acta Crystallographica Section B, 1999, 55, 947-952
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
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
2003099 CIF
Paper
C10 H22 N2 O4C 1 2 126.9873; 4.7471; 9.9652
90; 94.546; 90
1272.64Dalhus, Bjørn; Görbitz, Carl Henrik
Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series
Acta Crystallographica Section B, 1999, 55, 424-431
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
2105639 CIF
Paper
C4 H16 Cl4 Co N2P 1 21/n 18.5313; 11.4382; 13.307
90; 90.038; 90
1298.53Mahmoudkhani, Amir H.; Langer, Vratislav
Structure of [(CH~3~)~2~NH~2~]~2~CoCl~4~ at elevated temperatures
Acta Crystallographica Section B, 1999, 55, 752-757
2105640 CIF
Paper
C4 H16 Cl4 Co N2P 1 21/n 18.5513; 11.4527; 13.3364
90; 90.01; 90
1306.11Mahmoudkhani, Amir H.; Langer, Vratislav
Structure of [(CH~3~)~2~NH~2~]~2~CoCl~4~ at elevated temperatures
Acta Crystallographica Section B, 1999, 55, 752-757
2105582 CIF
Paper
C13 H13 N3 O2 SP 1 21/c 15.5561; 19.701; 12.143
90; 100.263; 90
1307.9Lynch, Daniel E.; Nicholls, Laura J.; Smith, Graham; Byriel, Karl A.; Kennard, Colin H. L.
Molecular co-crystals of 2-aminothiazole derivatives
Acta Crystallographica Section B, 1999, 55, 758-766
2105641 CIF
Paper
C4 H16 Cl4 Co N2P 1 21/n 18.564; 11.4573; 13.359
90; 90.037; 90
1310.79Mahmoudkhani, Amir H.; Langer, Vratislav
Structure of [(CH~3~)~2~NH~2~]~2~CoCl~4~ at elevated temperatures
Acta Crystallographica Section B, 1999, 55, 752-757
2003106 CIF
Paper
Bi14 Mo O24I 4/m8.70839; 8.70839; 17.31634
90; 90; 90
1313.2Ling, C. D.; Withers, R. L.; Thompson, J. G.; Schmid, S.
Structures of Bi~14~WO~24~ and Bi~14~MoO~24~ from neutron powder diffraction data
Acta Crystallographica Section B, 1999, 55, 306-312
2003105 CIF
Paper
Bi14 O24 WI 4/m8.71083; 8.71083; 17.32202
90; 90; 90
1314.37Ling, C. D.; Withers, R. L.; Thompson, J. G.; Schmid, S.
Structures of Bi~14~WO~24~ and Bi~14~MoO~24~ from neutron powder diffraction data
Acta Crystallographica Section B, 1999, 55, 306-312
2105642 CIF
Paper
C4 H16 Cl4 Co N2P 1 21/n 18.5775; 11.4679; 13.3855
90; 90.021; 90
1316.68Mahmoudkhani, Amir H.; Langer, Vratislav
Structure of [(CH~3~)~2~NH~2~]~2~CoCl~4~ at elevated temperatures
Acta Crystallographica Section B, 1999, 55, 752-757
2002964 CIFCs3 H3.5 O12 P0.5 S2.5C 1 2/c 119.769; 7.685; 8.858
90; 100.6; 90
1322.8Haile, S. M.; Klooster, W. T.
Single-crystal neutron diffraction study of β-Cs~3~(HSO~4~)~2~[H~2-x~(S~x~P~1-x~)O~4~] (x ≃ 0.5) at 15 K
Acta Crystallographica, Section B: Structural Science, 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
1322.8Haile, S. M.; Klooster, W. T.
Single-crystal neutron diffraction study of β-Cs~3~(HSO~4~)~2~[H~2-x~(S~x~P~1-x~)O~4~] (x ≃ 0.5) at 15 K
Acta Crystallographica, Section B: Structural Science, 1999, 55, 285-296
2003100 CIF
Paper
C11 H24 N2 O4C 1 2 129.0557; 4.7551; 9.9398
90; 101.358; 90
1346.42Dalhus, Bjørn; Görbitz, Carl Henrik
Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series
Acta Crystallographica Section B, 1999, 55, 424-431
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
2002915 CIF
HKL
Paper
C13 H19 N O5P 21 21 217.235; 13.056; 14.415
90; 90; 90
1361.6Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte
Charge density study of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate derived from CCD area detector data
Acta Crystallographica Section B, 1999, 55, 226-230
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
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
2002916 CIF
HKL
Paper
C13 H19 N O5P 21 21 217.3827; 13.1421; 14.515
90; 90; 90
1408.31Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte
Charge density study of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate derived from CCD area detector data
Acta Crystallographica Section B, 1999, 55, 226-230
2003101 CIF
Paper
C12 H26 N2 O4P 1 21 110.012; 4.7227; 30.335
90; 98.38; 90
1419Dalhus, Bjørn; Görbitz, Carl Henrik
Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series
Acta Crystallographica Section B, 1999, 55, 424-431
2105581 CIF
Paper
C16 H13 N3 O2 SP 1 21/c 110.182; 11.923; 12.284
90; 107.23; 90
1424.4Lynch, Daniel E.; Nicholls, Laura J.; Smith, Graham; Byriel, Karl A.; Kennard, Colin H. L.
Molecular co-crystals of 2-aminothiazole derivatives
Acta Crystallographica Section B, 1999, 55, 758-766
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
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
2003102 CIF
Paper
C11 H24 N2 O4 SC 1 2 131.7681; 4.717; 10.0043
90; 105.914; 90
1441.69Dalhus, Bjørn; Görbitz, Carl Henrik
Molecular aggregation in crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. I. The <small>L</small>-isoleucine series
Acta Crystallographica Section B, 1999, 55, 424-431
2003054 CIF
Paper
C18 H40 Co K N12 O4P -110.125; 11.133; 15.014
73.78; 71.68; 68.87
1472Steve C.F. Au-Yeung
Crystal structures of [18]aneN~6~H~2~K[Co(CN)~6~].4H~2~O, [16]aneN~4~H~2~K[Co(CN)~6~] and [12]aneN~4~H~3~[Co(CN)~6~].2H~2~O. Insight into the electrostatic and hydrogen-bonding interaction in self-assembling supercomplexes
Acta Crystallographica Section B, 1999, 55, 389-395
2105626 CIF
Paper
C16 H23 N2 OP 1 21/c 112.5774; 11.6228; 10.8229
90; 110.853; 90
1478.5Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi
TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds
Acta Crystallographica Section B, 1999, 55, 1057-1067
2003060 CIF
HKL
Paper
C15 H22 N3 OP 1 21/c 17.977; 20.158; 11.383
90; 125.95; 90
1482Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi
TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds
Acta Crystallographica, Section B: Structural Science, 1999, 55, 231-245
2105628 CIF
Paper
C15 H22 N3 OP 1 21/c 112.425; 11.598; 11.038
90; 109.53; 90
1499.1Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi
TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds
Acta Crystallographica Section B, 1999, 55, 1057-1067
2105625 CIF
Paper
C16 H23 N2 OP 1 21/c 112.684; 11.74; 11.024
90; 111.4; 90
1528.4Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi
TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds
Acta Crystallographica Section B, 1999, 55, 1057-1067
6000198 CIF
Paper
C15 H25 N O2 SP 1 21/c 116.96; 8.1382; 11.781
90; 104.777; 90
1572.28Tremayne, Maryjane; MacLean, Elizabeth J.; Tang, Chiu C.; Glidewell, Christopher
2,4,6-Triisopropylbenzenesulfonamide: Monte Carlo structure solution from X-ray powder diffraction data for a molecular system containing four independent asymmetric rotors
Acta Crystallographica Section B, 1999, 55, 1068-1074
2105630 CIF
Paper
C17 H25 N2 OP 1 21/c 112.4422; 11.495; 11.094
90; 97.381; 90
1573.6Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi
TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds
Acta Crystallographica Section B, 1999, 55, 1057-1067
2003062 CIF
HKL
Paper
C16 H22 Cl N2 OP 1 21/c 15.8845; 24.417; 11.397
90; 104.09; 90
1588.3Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi
TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds
Acta Crystallographica, Section B: Structural Science, 1999, 55, 231-245
2003076 CIF
Paper
Bi7 O18 Ta3C 134.005; 7.6024; 6.6358
90.086; 109.127; 90.043
1620.8Ling, C. D.; Schmid, S.; Withers, R. L.; Thompson, J. G.; Ishizawa, N.; Kishimoto, S
Solution and refinement of the crystal structure of Bi~7~Ta~3~O~18~
Acta Crystallographica Section B, 1999, 55, 157-164
2003077 CIF
Paper
Bi7 O18 Ta3C 1 2/m 134.0084; 7.6069; 6.63644
90; 109.238; 90
1620.97Ling, C. D.; Schmid, S.; Withers, R. L.; Thompson, J. G.; Ishizawa, N.; Kishimoto, S
Solution and refinement of the crystal structure of Bi~7~Ta~3~O~18~
Acta Crystallographica Section B, 1999, 55, 157-164
2105629 CIF
Paper
C17 H25 N2 OP 1 21/c 112.49; 11.597; 11.28
90; 97.12; 90
1621.3Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi
TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds
Acta Crystallographica Section B, 1999, 55, 1057-1067
2003082 CIF
Paper
C19 H10 N2 O9P 1 21/n 16.496; 7.653; 33.039
90; 91.95; 90
1641.5Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal
The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions
Acta Crystallographica, Section B: Structural Science, 1999, 55, 410-423
2003097 CIF
Paper
Ca15 I O37 P9P 63/m9.567; 9.567; 20.754
90; 90; 120
1645.1Alberius Henning, Peter; Lidin, Sven; Petříček, Vačlav
Iodo-oxyapatite, the first example from a new class of modulated apatites
Acta Crystallographica Section B, 1999, 55, 165-169
2003064 CIF
HKL
Paper
C16 H22 I N2 OP 1 21/c 15.889; 25.851; 11.322
90; 105.27; 90
1662.8Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi
TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds
Acta Crystallographica, Section B: Structural Science, 1999, 55, 231-245
2003063 CIF
HKL
Paper
C16 H22 Br N2 OP 1 21/c 17.541; 20.848; 10.591
90; 91.56; 90
1664.4Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi
TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds
Acta Crystallographica, Section B: Structural Science, 1999, 55, 231-245
2105618 CIF
Paper
C8 H10 N4 OP b c n16.409; 7.619; 13.544
90; 90; 90
1693.3Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Fernàndez-Castaño, Cristina
Self-assembly of N<i>H</i>-pyrazoles <i>via</i> intermolecular N—H···N hydrogen bonds
Acta Crystallographica Section B, 1999, 55, 985-993
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
2002946 CIF
Paper
C5 H8 N2P -114.417; 12.02; 12.042
119.99; 105.991; 87.224
1727.4Infantes, 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
2105631 CIF
Paper
C20 H25 N2 OP n a 2120.0837; 5.6969; 15.106
90; 90; 90
1728.4Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi
TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds
Acta Crystallographica Section B, 1999, 55, 1057-1067
2003066 CIF
Paper
Al5 O12 Y3I a -3 d12.0062; 12.0062; 12.0062
90; 90; 90
1730.68Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.
Cation distribution and crystal chemistry of Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) garnet solid solutions
Acta Crystallographica Section B, 1999, 55, 266-272
2003067 CIF
Paper
Al4 Ga O12 Y3I a -3 d12.0432; 12.0432; 12.0432
90; 90; 90
1746.73Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.
Cation distribution and crystal chemistry of Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) garnet solid solutions
Acta Crystallographica Section B, 1999, 55, 266-272
2003110 CIF
Paper
C15 H28 N4 O4P 1 21/c 15.8907; 26.071; 11.8868
90; 106.118; 90
1753.8Marc Hostettler; Henrik Birkedal; Manual Gardon; Gervais Chapuis; Dieter Schwarzenbach; Michel Bonin
Phase-transition-induced twinning in the 1:1 adduct of hexamethylenetetramine and azelaic acid
Acta Crystallographica Section B, 1999, 55, 448-458
2003068 CIF
Paper
Al3 Ga2 O12 Y3I a -3 d12.0926; 12.0926; 12.0926
90; 90; 90
1768.3Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.
Cation distribution and crystal chemistry of Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) garnet solid solutions
Acta Crystallographica Section B, 1999, 55, 266-272
2105627 CIF
Paper
C17 H25 N2 O SP 1 21/c 113.5737; 11.8796; 11.1628
90; 98.76; 90
1779Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi
TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds
Acta Crystallographica Section B, 1999, 55, 1057-1067
2003069 CIF
Paper
Al2 Ga3 O12 Y3I a -3 d12.1552; 12.1552; 12.1552
90; 90; 90
1795.92Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.
Cation distribution and crystal chemistry of Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) garnet solid solutions
Acta Crystallographica Section B, 1999, 55, 266-272
2003070 CIF
Paper
Al Ga4 O12 Y3I a -3 d12.2123; 12.2123; 12.2123
90; 90; 90
1821.3Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.
Cation distribution and crystal chemistry of Y~3~Al~5{-~<i>x</i>}Ga~<i>x~</i>O~12~ (0 {łeq} <i>x</i> {łeq} 5) garnet solid solutions
Acta Crystallographica Section B, 1999, 55, 266-272
2105633 CIF
Paper
C17 H25 N2 O3 SP 1 21/c 111.1835; 15.487; 11.566
90; 114.539; 90
1822.3Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Takada, Kiwamu; Kan-nari, Eiji; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi
TEMPO radicals showing magnetic interactions. II. 4-(Benzylideneamino)-TEMPO and related compounds
Acta Crystallographica Section B, 1999, 55, 1057-1067
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
2003134 CIF
HKL
Paper
C20 H20 Cl14 Hg3 N4P 1 21/n 17.522; 28.046; 9.165
90; 105.78; 90
1860.6Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick
Polynuclear chloromercurate(II) systems in their chloropyridinium salts
Acta Crystallographica Section B, 1999, 55, 396-409
2105616 CIF
Paper
C23 H29 N OP 1 21/n 17.638; 13.188; 18.865
90; 97.94; 90
1882.1Kumaran, D.; Ponnuswamy, M. N.; Shanmugam, G.; Ponnuswamy, S.; Jeyaraman, R.; Shivakumar, K.; Fun, H.-K.
Molecular structures and conformations of three 3-azabicyclononanes
Acta Crystallographica Section B, 1999, 55, 793-798
2105554 CIF
Paper
C4 H16 N4 Ni O14 V6P 1 21/n 117.862; 17.127; 6.627
90; 111.61; 90
1884.9Zavalij, Peter Y.; Zhang, Fan; Whittingham, M. Stanley
Crystal structure of layered bis(ethylenediamine)nickel hexavanadate as a new representative of the V~6~O~14~ series
Acta Crystallographica Section B, 1999, 55, 953-962
2003065 CIF
HKL
Paper
C22 H27 N2 OP 1 21/c 15.955; 28.488; 11.796
90; 106.72; 90
1916.5Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi
TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds
Acta Crystallographica, Section B: Structural Science, 1999, 55, 231-245
2003136 CIF
HKL
Paper
C5 H5 Cl4 Hg NP 1 21/c 17.243; 22.145; 12.32
90; 99.52; 90
1948.9Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick
Polynuclear chloromercurate(II) systems in their chloropyridinium salts
Acta Crystallographica Section B, 1999, 55, 396-409
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
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
6000196 CIF
Paper
C13 H36 Si4P 21 312.609; 12.609; 12.609
90; 90; 90
2004.7Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander
Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~
Acta Crystallographica Section B, 1999, 55, 1014-1029
2003133 CIF
HKL
Paper
C5 H5 Cl4 Hg NP 1 21/n 19.094; 18.143; 12.902
90; 106.13; 90
2045Linden, Anthony; James, Bruce D.; Liesegang, John; Gonis, Nick
Polynuclear chloromercurate(II) systems in their chloropyridinium salts
Acta Crystallographica Section B, 1999, 55, 396-409
6000197 CIF
Paper
C13 H36 Si4P a -312.7876; 12.7876; 12.7876
90; 90; 90
2091.06Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander
Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~
Acta Crystallographica Section B, 1999, 55, 1014-1029
2105614 CIF
Paper
C25 H33 NP 1 21/c 113.667; 16.414; 9.409
90; 94.54; 90
2104.1Kumaran, D.; Ponnuswamy, M. N.; Shanmugam, G.; Ponnuswamy, S.; Jeyaraman, R.; Shivakumar, K.; Fun, H.-K.
Molecular structures and conformations of three 3-azabicyclononanes
Acta Crystallographica Section B, 1999, 55, 793-798
2105617 CIF
Paper
C24 H25 Cl N4P 1 21/c 18.19; 14.463; 18.115
90; 96.2; 90
2133.2Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone; Fernàndez-Castaño, Cristina
Self-assembly of N<i>H</i>-pyrazoles <i>via</i> intermolecular N—H···N hydrogen bonds
Acta Crystallographica Section B, 1999, 55, 985-993
6000193 CIF
Paper
C13 H36 Si4F m -3 m12.8902; 12.8902; 12.8902
90; 90; 90
2141.8Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander
Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~
Acta Crystallographica Section B, 1999, 55, 1014-1029
2002940 CIF
Paper
C12 H7 K O3 SP b c a10.76; 7.74; 27.145
90; 90; 90
2260.7Craven, B. M.; Ballas, F. L.
Thermal vibrations in potassium 3-benzoyl-2-thiophenecarboxylate
Acta Crystallographica Section B, 1999, 55, 375-379
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
2105580 CIF
Paper
C9 H13 N3 O2 SP b c a11.9723; 12.5938; 15.063
90; 90; 90
2271.2Lynch, Daniel E.; Nicholls, Laura J.; Smith, Graham; Byriel, Karl A.; Kennard, Colin H. L.
Molecular co-crystals of 2-aminothiazole derivatives
Acta Crystallographica Section B, 1999, 55, 758-766
6000195 CIF
Paper
C12 H36 Si5P 21 313.17158; 13.17158; 13.17158
90; 90; 90
2285.14Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander
Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~
Acta Crystallographica Section B, 1999, 55, 1014-1029
2003055 CIF
Paper
C18 H30 Co K N10P 1 21/c 110.675; 10.516; 21.051
90; 91.89; 90
2361.9Steve C.F. Au-Yeung
Crystal structures of [18]aneN~6~H~2~K[Co(CN)~6~].4H~2~O, [16]aneN~4~H~2~K[Co(CN)~6~] and [12]aneN~4~H~3~[Co(CN)~6~].2H~2~O. Insight into the electrostatic and hydrogen-bonding interaction in self-assembling supercomplexes
Acta Crystallographica Section B, 1999, 55, 389-395
2003081 CIF
Paper
C19 H9 F6 O3 PR -3 c :H12.946; 12.946; 16.806
90; 90; 120
2439.3Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal
The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions
Acta Crystallographica, Section B: Structural Science, 1999, 55, 410-423
2003088 CIF
Paper
C19 H9 F6 O3 PR -3 c :H12.964; 12.964; 16.813
90; 90; 120
2447.1Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal
The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions
Acta Crystallographica, Section B: Structural Science, 1999, 55, 410-423
2003089 CIF
Paper
C19 H9 F6 O3 PR -3 c :H12.997; 12.997; 16.843
90; 90; 120
2464Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal
The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions
Acta Crystallographica, Section B: Structural Science, 1999, 55, 410-423
6000194 CIF
Paper
C12 H36 Si5F m -3 m13.5218; 13.5218; 13.5218
90; 90; 90
2472.31Dinnebier, Robert E.; Dollase, Wayne A.; Helluy, Xavier; Kümmerlen, Jörg; Sebald, Angelika; Schmidt, Martin U.; Pagola, Silvina; Stephens, Peter W.; van Smaalen, Sander
Order‒disorder phenomena determined by high-resolution powder diffraction: the structures of tetrakis(trimethylsilyl)methane C[Si(CH~3~)~3~]~4~ and tetrakis(trimethylsilyl)silane Si[Si(CH~3~)~3~]~4~
Acta Crystallographica Section B, 1999, 55, 1014-1029
2003090 CIF
Paper
C19 H9 F6 O3 PR -3 c :H13.015; 13.015; 16.859
90; 90; 120
2473.2Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal
The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions
Acta Crystallographica, Section B: Structural Science, 1999, 55, 410-423

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