Crystallography Open Database

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2102087 CIF
Paper
K O3 TaP m -3 m3.9883; 3.9883; 3.9883
90; 90; 90
63.44Zhurova, 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 Ti0.2P m -3 m4.1072; 4.1072; 4.1072
90; 90; 90
69.285Christophe 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 O2I m 2 m3.5024; 5.5209; 5.3789
90; 90; 90
104.01Gohda, 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 TiP 4 b m5.5191; 5.5191; 3.9085
90; 90; 90
119.055Jones, 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 Ta2C 1 2 15.2252; 4.6991; 5.8534
90; 108.2; 90
136.533Zibrov, 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 :25.20713; 5.20713; 7.40141
90; 90; 90
200.683Zhao, 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 a5.19096; 5.21235; 7.41751
90; 90; 90
200.696Zhao, 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 a5.17349; 5.22109; 7.43197
90; 90; 90
200.747Zhao, 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 SP 635.202; 5.202; 8.647
90; 90; 120
202.65Pinheiro, 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 SR -3 m :H4.988; 4.988; 9.997
90; 90; 120
215.4Haarmann, 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 O3P 1 2/m 15.5267; 7.8824; 5.5245
90; 90.294; 90
240.664Bridges, 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 CIFCo O6 Pb2 WI2/m7.9602; 5.6779; 5.6967
90; 90.047; 90
257.47Baldinozzi, 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 Zr0.99I 41/a m d :26.618; 6.618; 6.019
90; 90; 90
263.6Ríos, 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 Yb0.963R -3 m :H3.458; 3.458; 25.647
90; 90; 120
265.59Nespolo, 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 O2R -3 c4.8232; 4.8232; 13.7125
90; 90; 120
276.26Carlson, 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 O2R -3 c4.8552; 4.8552; 13.7
90; 90; 120
279.68Carlson, 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 O2R -3 c4.9462; 4.9462; 13.6689
90; 90; 120
289.61Carlson, 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 PdP -16.7854; 7.1057; 6.6241
103.221; 102.514; 100.386
294.52Kirik, 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 ZrP n n m8.3127; 6.6389; 5.3407
90; 90; 90
294.74Krogh 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 O2R -3 c5.1232; 5.1232; 13.6017
90; 90; 120
309.18Carlson, 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 Sr0.26P -4 21 m7.8743; 7.8743; 5.0417
90; 90; 90
312.61Bagautdinov, 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 O2R -3 c5.2357; 5.2357; 13.5542
90; 90; 120
321.78Carlson, 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 O2R -3 c5.3067; 5.3067; 13.5495
90; 90; 120
330.45Carlson, 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 Ta2C 1 2/c 112.7853; 4.8537; 5.5276
90; 104.264; 90
332.446Zibrov, 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 ZrP n n m8.1935; 7.709; 5.408
90; 90; 90
341.59Krogh 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 O2P -15.2289; 5.4102; 13.1095
96.332; 90.622; 109.493
347.02Dalhus, 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 O2P 15.2438; 5.3978; 13.2562
93.042; 92.811; 109.897
351.42Dalhus, 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 O2P -15.2493; 5.4006; 13.2778
92.9433; 92.8659; 109.857
352.657Dalhus, 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 O2R -3 c5.52; 5.52; 13.52
90; 90; 120
356.768Carlson, 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 O4P 1 21/c 18.35918; 5.13212; 8.48489
90; 93.1555; 90
363.45Kaduk, James A.
Terephthalate salts: salts of monopositive cations
Acta Crystallographica Section B, 2000, 56, 474-485
2102115 CIF
Paper
?F d -3 m :27.37515; 7.375154; 7.375154
90; 90; 90
401.156Zhao, 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 Ti0.2R 3 c :H5.7827; 5.7827; 14.2702
90; 90; 120
413.259Christophe 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 Ti0.2R 3 c :H5.7871; 5.7871; 14.2735
90; 90; 120
413.984Christophe 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 Ti0.2R 3 c :H5.7943; 5.7943; 14.2742
90; 90; 120
415.035Christophe 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 Ti0.2R 3 c :H5.8025; 5.8025; 14.2648
90; 90; 120
415.94Christophe 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 SP m c n5.264; 9.148; 8.666
90; 90; 90
417.3Pinheiro, 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 SP m c n5.27; 9.193; 8.751
90; 90; 90
424Pinheiro, 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 O4P 1 21/c 110.561; 3.944; 11.535
90; 113.08; 90
442Kaduk, James A.
Terephthalate salts: salts of monopositive cations
Acta Crystallographica Section B, 2000, 56, 474-485
2102031 CIF
Paper
C4 H12 Cd Cl3 NP 63/m9.126; 9.126; 6.718
90; 90; 120
484.5Peral, 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 Si2P -16.6158; 6.6604; 12.0551
94.373; 90.836; 91.512
529.39Fleet, 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 O2P 1 21/m 18.8636; 6.605; 9.2381
90; 97.804; 90
535.8Chisholm, 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 O5P 21 21 215.9556; 8.0972; 11.896
90; 90; 90
573.67Rychlewska, 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 PdP b c a8.4315; 8.4206; 8.0916
90; 90; 90
574.49Kirik, 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 O6P 15.3893; 9.3851; 12.3681
107.054; 98.569; 97.303
581.65J.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 O5P 1 21 18.3686; 6.7077; 11.123
90; 111.265; 90
581.87Low, 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 S2P -18.1655; 8.2415; 9.3887
72.1417; 83.3965; 80.332
591.48Glidewell, 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 S2P -17.0434; 7.8315; 11.3709
82.576; 80.69; 83.189
610.71Glidewell, 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 O6P 1 21 19.854; 7.136; 9.7388
90; 115.887; 90
616.1J.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 O8P -17.3974; 9.6352; 10.1688
64.872; 72.375; 76.612
620.92Lough, 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 O2P -16.771; 7.599; 12.273
94.17; 92.04; 98.83
621.6Rudert, 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 O2P 1 21/n 16.625; 7.985; 11.916
90; 99.41; 90
621.9Boldyreva, 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 OP -15.7082; 11.3645; 11.5167
117.268; 99.257; 96.726
639.735Bilton, 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 CIFCu6 O8 PbF m -3 m8.623; 8.623; 8.623
90; 90; 90
641.173Winkler, 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 PbF m -3m8.623; 8.623; 8.623
90; 90; 90
641.2Winkler, 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 OP -15.728; 11.362; 11.521
117.24; 99.25; 96.86
641.866Bilton, 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 O2P 1 21/n 16.82; 8.374; 11.559
90; 99.32; 90
651.43Boldyreva, 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 OP -16.8286; 8.2407; 12.658
106.73; 98.71; 101.39
652Bilton, 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 Si2P -16.4358; 10.2497; 10.4056
76; 84.438; 86.372
662.32O'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 Si2P -16.4469; 10.2837; 10.6088
74.645; 81.968; 85.511
671O'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 O2P 1 21/n 16.885; 8.5819; 11.519
90; 99.12; 90
672.01Boldyreva, 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 PdP b c a8.8347; 8.841; 8.6081
90; 90; 90
672.36Kirik, 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 OP -15.7906; 11.325; 11.907
115.67; 99.43; 97.91
674.9Bilton, 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 S2P 1 21/a 19.0921; 12.2195; 6.3442
90; 106.277; 90
676.59Figgis, 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 S2P 1 21/a 19.0964; 12.2225; 6.3447
90; 106.295; 90
677.07Figgis, 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 O2P -16.739; 7.525; 13.67
85.61; 86.18; 79.81
679.3Rudert, 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 S2P 1 21 110.1301; 6.3474; 11.1133
90; 106.644; 90
684.64Glidewell, 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 O2P -18.9002; 9.2388; 9.6721
93.73; 98.73; 114.46
708.3Madhavi, 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 O2P 1 21 19.6706; 5.2583; 14.1018
90; 98.033; 90
710.053Dalhus, 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 O2P 1 21/n 16.98; 8.915; 11.566
90; 98.54; 90
711.7Boldyreva, 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 O2P -16.872; 7.519; 14.107
85.59; 87.2; 81.44
718.1Rudert, 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 SP -16.7468; 7.4303; 15.201
85.25; 79.56; 75.39
724.64Olivato, 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 O4P b c 213.54807; 10.81599; 18.9943
90; 90; 90
728.92Kaduk, James A.
Terephthalate salts: salts of monopositive cations
Acta Crystallographica Section B, 2000, 56, 474-485
2106073 CIFBi0.868 O2 SrI 1 2/a 14.905; 5.112; 29.857
90; 93.45; 90
747.288Leligny, 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 OP 1 21/a 116.047; 5.084; 9.584
90; 94.06; 90
779.9Hosomi, 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 OP 1 21/a 116.191; 5.079; 9.509
90; 93.37; 90
780.6Hosomi, 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 O3P 1 21 16.2321; 9.9264; 12.812
90; 97.079; 90
786.54Anthony, 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 O4C 1 2/c 118.825; 3.77; 11.179
90; 94.56; 90
790.9Kaduk, James A.
Terephthalate salts: salts of monopositive cations
Acta Crystallographica Section B, 2000, 56, 474-485
2102080 CIF
Paper
C18 H24 O4P 1 21 16.2246; 12.014; 10.915
90; 103.09; 90
795.04Anthony, 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 O4P 1 21 16.2214; 12.05; 10.888
90; 103.07; 90
795.1Anthony, 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 PbF m -3m9.314; 9.314; 9.314
90; 90; 90
807.99Winkler, 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 CIFCu6 O8 PbF m -3 m9.314; 9.314; 9.314
90; 90; 90
807.995Winkler, 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 O4C 1 2/c 118.924; 3.7967; 11.481
90; 98.04; 90
816.8Kaduk, James A.
Terephthalate salts: salts of monopositive cations
Acta Crystallographica Section B, 2000, 56, 474-485
2101973 CIF
HKL
Paper
C5 H12 Br N O2P 1 21/c 17.613; 9.236; 11.853
90; 98.08; 90
825.2Rudert, 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 O2P 1 21/c 117.81; 5.175; 9.534
90; 106.7; 90
841.66Nigović, 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 O2P -18.733; 18.578; 5.21
91.86; 93.04; 93.21
842.2Hosomi, 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 O2P -17.5866; 8.9294; 13.4851
95.762; 106.263; 101.386
847.87Görbitz, 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 O8P -18.0814; 10.1981; 10.78
79.789; 80.728; 80.28
853.89Gregson, 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 OP 1 21/c 111.037; 9.075; 9.042
90; 108.42; 90
859.3Hosomi, 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 Ti0.95P n a 2112.786; 6.3927; 10.5585
90; 90; 90
863.02Norberg, 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 O12P -18.7336; 10.9388; 11.0284
114.58; 91.966; 111.674
868.09Burchell, 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 O3.79P -17.5712; 9.1543; 13.5964
73.691; 75.46; 80.517
870.95Görbitz, 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 OP 1 21/c 111.398; 9.33; 8.698
90; 108.95; 90
874.8Hosomi, 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 TiP n a 2112.851; 6.418; 10.62
90; 90; 90
875.9Norberg, 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 S2P 1 21/c 19.0603; 10.6109; 9.4613
90; 101.893; 90
890.1Nagel, 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 S2P 1 21/n 110.6449; 6.451; 13.1061
90; 96.195; 90
894.74Nagel, 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 O4P -18.6323; 9.943; 12.582
98.783; 102.785; 115.746
909.8Gregson, 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 PtP -19.3899; 9.5481; 11.931
109.7; 108.26; 98.77
915.6Johansson, 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 P2P 1 21/c 112.287; 7.511; 10.775
90; 112.542; 90
918.4Balić-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 SP -17.8841; 9.1401; 13.6505
90.975; 105.924; 100.892
926.41Görbitz, 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 O5P 21 21 215.094; 11.243; 16.295
90; 90; 90
933.2Rychlewska, 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
2102210 CIF
Paper
C34 H60 O6P -16.2717; 7.433; 20.364
85.14; 85.031; 82.626
935.32Görbitz, 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
2102174 CIF
HKL
Paper
C11 H13 N O2P 1 21/c 17.3247; 12.108; 10.7479
90; 99.357; 90
940.5Chisholm, 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
2102159 CIF
Paper
As O5 Rb TiP n a 2113.2352; 6.6666; 10.7483
90; 90; 90
948.36Streltsov, Victor A.; Nordborg, Jenni; Albertsson, Jörgen
Synchrotron X-ray analysis of RbTiOAsO~4~
Acta Crystallographica Section B, 2000, 56, 785-792
2102207 CIF
Paper
C21 H27 N O3P -17.6393; 9.9833; 13.3161
91.883; 104.036; 104.311
950Görbitz, 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
2101961 CIF
Paper
C11 H11 N O2P 1 21/c 119.353; 5.074; 10.275
90; 109; 90
954Nigović, 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
2102063 CIF
Paper
C8 H16 N2 O4P b c 214.0053; 11.814; 20.186
90; 90; 90
955.17Kaduk, James A.
Terephthalate salts: salts of monopositive cations
Acta Crystallographica Section B, 2000, 56, 474-485
2102182 CIF
Paper
C27 H20 OP -15.6413; 10.2599; 17.3238
100.45; 97.79; 95.477
969.51Bilton, 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
2101959 CIF
Paper
C11 H11 N O2P 1 21/n 18.68; 7.624; 15.044
90; 101.87; 90
974.27Nigović, 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
2101958 CIF
Paper
C11 H11 N O2P 1 21/c 18.542; 13.408; 8.638
90; 99.7; 90
975.18Nigović, 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
2101998 CIF
Paper
Br4 Co Rb2P n a m9.691; 13.278; 7.63
90; 90; 90
981.8Friese, K.; Madariaga, G.; Breczewski, T.
Incommensurately modulated phase of Rb~2~CoBr~4~ at 295 and 200K
Acta Crystallographica Section B, 2000, 56, 17-21
2102029 CIF
HKL
Paper
C24 H24 B NI -4 2 m11.1208; 11.1208; 8.0033
90; 90; 90
989.79Steiner, Thomas; Mason, Sax A.
Short N^+^—H···Ph hydrogen bonds in ammonium tetraphenylborate characterized by neutron diffraction
Acta Crystallographica Section B, 2000, 56, 254-260
2101962 CIF
Paper
C12 H13 N O2P 1 21/n 19.288; 7.44; 14.776
90; 103.53; 90
992.72Nigović, 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
2101997 CIF
Paper
Br2 Co0.5 RbP n a m9.732; 13.328; 7.654
90; 90; 90
992.8Friese, K.; Madariaga, G.; Breczewski, T.
Incommensurately modulated phase of Rb~2~CoBr~4~ at 295 and 200K
Acta Crystallographica Section B, 2000, 56, 17-21
2102089 CIF
Paper
C6 H14 N2 O7P 21 21 219.659; 9.672; 10.739
90; 90; 90
1003.26Pichon-Pesme, Virginie; Lachekar, Hassane; Souhassou, Mohamed; Lecomte, Claude
Electron density and electrostatic properties of two peptide molecules: tyrosyl-glycyl-glycine monohydrate and glycyl-aspartic acid dihydrate
Acta Crystallographica Section B, 2000, 56, 728-737
2102101 CIF
Paper
Al0.96 H8 N0.85 Na0.1 O10.3 Si3P 1 21/m 19.9596; 14.2015; 8.7051
90; 124.99; 90
1008.71Gualtieri, A. F.
Study of NH~4~^+^ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy
Acta Crystallographica Section B, 2000, 56, 584-593
9011301 CIFAl1.9 H18.8 N1.7 Na0.2 O21.18 Si6.1P 1 21/m 19.9596; 14.2015; 8.7051
90; 124.99; 90
1008.71Gualtieri, A. F.
Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 3
Acta Crystallographica, Section B, 2000, 56, 584-593
2101955 CIF
Paper
C6 H16 N2 O6P 21 21 219.572; 10.039; 10.548
90; 90; 90
1013.6Benabicha, Farid; Pichon-Pesme, Virginie; Jelsch, Christian; Lecomte, Claude; Khmou, Ahmed
Experimental charge density and electrostatic potential of glycyl-<small>L</small>-threonine dihydrate
Acta Crystallographica Section B, 2000, 56, 155-165
2102100 CIF
Paper
Al1.2 H8.8 N Na0.1 O10.4 Si3P 1 21/m 110.0122; 14.1943; 8.7284
90; 125.024; 90
1015.8Gualtieri, A. F.
Study of NH~4~^+^ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy
Acta Crystallographica Section B, 2000, 56, 584-593
9011300 CIFAl2.2 H20.08 N2.02 Na0.2 O20.74 Si5.8P 1 21/m 110.0122; 14.1943; 8.7284
90; 125.024; 90
1015.82Gualtieri, A. F.
Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 2
Acta Crystallographica, Section B, 2000, 56, 584-593
2102030 CIF
HKL
Paper
C24 H24 B NI -4 2 m11.2255; 11.2255; 8.0745
90; 90; 90
1017.5Steiner, Thomas; Mason, Sax A.
Short N^+^—H···Ph hydrogen bonds in ammonium tetraphenylborate characterized by neutron diffraction
Acta Crystallographica Section B, 2000, 56, 254-260
2102099 CIF
Paper
Al1.5 H9.4 N1.19 Na0.13 O10.32 Si2.5P 1 21/m 110.0507; 14.2016; 8.7281
90; 125.123; 90
1018.97Gualtieri, A. F.
Study of NH~4~^+^ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy
Acta Crystallographica Section B, 2000, 56, 584-593
9011299 CIFAl3 H21.52 N2.38 Na0.26 O20.64 Si5P 1 21/m 110.0507; 14.2016; 8.7281
90; 125.123; 90
1018.97Gualtieri, A. F.
Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 1
Acta Crystallographica, Section B, 2000, 56, 584-593
2102211 CIF
Paper
C20 H30 O5P -17.7092; 8.932; 15.3466
93.797; 100.629; 98.866
1021.32Görbitz, 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
2102192 CIF
Paper
Cu7 P Se6P n a 2114.3179; 7.1112; 10.1023
90; 90; 90
1028.59Gaudin, E.; Petricek, V.; Boucher, F.; Taulelle, F.; Evain, M.
Structures and phase transitions of the <i>A</i>~7~PSe~6~ (<i>A</i> = Ag, Cu) argyrodite-type ionic conductors. III. α-Cu~7~PSe~6~
Acta Crystallographica Section B, 2000, 56, 972-979
2102212 CIF
Paper
C21 H32 O5P -17.7102; 8.9295; 15.4299
94.337; 100.071; 98.291
1029.46Görbitz, 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
2102082 CIF
Paper
Cu7 P Se6P 21 310.108; 10.108; 10.108
90; 90; 90
1032.75Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F.; Evain, M.
Structures and phase transitions of the <i>A</i>~7~PSe~6~ (<i>A</i>~=~Ag, Cu) argyrodite-type ionic conductors. II. β- and γ-Cu~7~PSe~6~
Acta Crystallographica Section B, 2000, 56, 402-408
2101963 CIF
Paper
C12 H13 N O2P 1 21/c 122.455; 5.286; 9.313
90; 110.89; 90
1032.8Nigović, 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
2102083 CIF
Paper
Cu7 P Se6F -4 3 m10.113; 10.113; 10.113
90; 90; 90
1034.28Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F.; Evain, M.
Structures and phase transitions of the <i>A</i>~7~PSe~6~ (<i>A</i>~=~Ag, Cu) argyrodite-type ionic conductors. II. β- and γ-Cu~7~PSe~6~
Acta Crystallographica Section B, 2000, 56, 402-408
2101969 CIF
HKL
Paper
C7 H16 Br N O2P 1 21/n 16.793; 13.85; 11.42
90; 102.71; 90
1048.1Rudert, 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
2101974 CIF
Paper
C18 H38 Br N O2P -16.778; 7.484; 21.348
87.34; 86.96; 79.04
1060.9Rudert, 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
2101986 CIF
HKL
Paper
C10 H8 N2 O4 SP 1 21/a 17.918; 13.132; 10.983
90; 110.7; 90
1068Low, John N.; Storey, Emily J.; McCarron, Mary; Wardell, James L.; Ferguson, George; Glidewell, Christopher
Conformational preferences in 2-nitrophenylthiolates: interplay between intra- and intermolecular forces; structures of (<i>E</i>)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, <i>S</i>-(2-nitrophenyl)benzenecarbothiolate and 1-(2-nitrophenylthio)-2,5-pyrrolidinedione
Acta Crystallographica Section B, 2000, 56, 58-67
2102161 CIF
Paper
C4 H4 O12 Y2C 2 2 217.8177; 14.943; 9.4845
90; 90; 90
1108Bataille, Thierry; Louër, Daniel
Powder and single-crystal X-ray diffraction study of the structure of [Y(H~2~O)]~2~(C~2~O~4~)(CO~3~)~2~
Acta Crystallographica Section B, 2000, 56, 998-1002
2102162 CIF
Paper
C4 H4 O12 Y2C 2 2 217.8198; 14.949; 9.4908
90; 90; 90
1109.46Bataille, Thierry; Louër, Daniel
Powder and single-crystal X-ray diffraction study of the structure of [Y(H~2~O)]~2~(C~2~O~4~)(CO~3~)~2~
Acta Crystallographica Section B, 2000, 56, 998-1002
2102193 CIF
Paper
Cd2 O12 S3 Tl2P 1 1 2110.356; 10.35; 10.353
90; 90; 90.04
1109.7Guelylah, A.; Madariaga, G.; Morgenroth, W.; Aroyo, M. I.; Breczewski, T.; Bocanegra, E. H.
X-ray structure determination of the monoclinic (121K) and orthorhombic (85K) phases of langbeinite-type dithallium dicadmium sulfate
Acta Crystallographica Section B, 2000, 56, 921-935
2102194 CIF
HKL
Paper
Cd2 O12 S3 Tl2P 21 21 2110.327; 10.345; 10.406
90; 90; 90
1111.7Guelylah, A.; Madariaga, G.; Morgenroth, W.; Aroyo, M. I.; Breczewski, T.; Bocanegra, E. H.
X-ray structure determination of the monoclinic (121K) and orthorhombic (85K) phases of langbeinite-type dithallium dicadmium sulfate
Acta Crystallographica Section B, 2000, 56, 921-935
2102191 CIF
HKL
Paper
C13 H10 N4C 1 c 111.571; 12.258; 7.868
90; 90.11; 90
1116Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R.
Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction
Acta Crystallographica Section B, 2000, 56, 1085-1093
2102147 CIF
Paper
C8 H13 N5 O6P 21 21 216.5574; 7.686; 22.222
90; 90; 90
1120Low, 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
2102188 CIF
HKL
Paper
C13 H10 N4C 1 c 111.5972; 12.2873; 7.8877
90; 90.021; 90
1123.98Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R.
Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction
Acta Crystallographica Section B, 2000, 56, 1085-1093
2102187 CIF
HKL
Paper
C13 H10 N4C 1 c 111.5945; 12.2912; 7.8944
90; 90.018; 90
1125.03Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R.
Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction
Acta Crystallographica Section B, 2000, 56, 1085-1093
2102081 CIF
Paper
O62 P4 W18P -15.2945; 6.542; 32.744
90; 90.2; 89.78
1134.1Pascal Roussel; Philippe Labbe; Daniel Groult
Symmetry and twins in the monophosphate tungsten bronze series (PO~2~)~4~(WO~3~)~2<i>m~</i> (2 {łeq} <i>m</i> {łeq} 14)
Acta Crystallographica Section B, 2000, 56, 377-391
2102189 CIF
HKL
Paper
C13 H10 N4C 1 c 111.7304; 12.3278; 7.8844
90; 90.173; 90
1140.16Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R.
Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction
Acta Crystallographica Section B, 2000, 56, 1085-1093
2101975 CIF
Paper
C20 H42 Br N O2P -16.762; 7.466; 23.4
86.9; 83.14; 78.87
1150.3Rudert, 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
2102190 CIF
HKL
Paper
C13 H10 N4C 1 c 111.8751; 12.3735; 7.8876
90; 90.412; 90
1158.95Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R.
Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction
Acta Crystallographica Section B, 2000, 56, 1085-1093
2102053 CIF
Paper
C20 H4 Co D27 N6 O4P 1 21 19.1579; 13.9694; 9.2757
90; 99.954; 90
1168.78Ohhara, Takashi; Harada, Jun; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo
Direct Observation of Deuterium Migration in Crystalline-State Reaction by Single Crystal Neutron Diffraction II. 3-1 Photoisomerization of a Cobaloxime Complex
Acta Crystallographica, Section B, 2000, 56, 245-253
2102054 CIF
Paper
C20 H4 Co D27 N6 O4P 1 21 19.1579; 13.9694; 9.2757
90; 99.954; 90
1168.78Ohhara, Takashi; Harada, Jun; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo
Direct Observation of Deuterium Migration in Crystalline-State Reaction by Single Crystal Neutron Diffraction II. 3-1 Photoisomerization of a Cobaloxime Complex
Acta Crystallographica, Section B, 2000, 56, 245-253
2102116 CIF
Paper
C5 H9 N O2P c a 219.8588; 4.8125; 25.0546
90; 90; 90
1188.73Dalhus, Bjørn; Görbitz, Carl Henrik
Non-centrosymmetric racemates: space-group frequencies and conformational similarities between crystallographically independent molecules
Acta Crystallographica Section B, 2000, 56, 715-719
2102052 CIF
Paper
C20 H4 Co D27 N6 O4P 1 21 19.6772; 13.8988; 8.9432
90; 96.322; 90
1195.56Ohhara, Takashi; Harada, Jun; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo
Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. II. 3‒1 Photoisomerization of a cobaloxime complex
Acta Crystallographica Section B, 2000, 56, 245-253
2102057 CIF
Paper
Br2 H6 N2 PdP b c a13.3202; 12.7223; 7.05854
90; 90; 90
1196.17Kirik, 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
2102023 CIF
HKL
Paper
C52 H48 N2 O6 Si4P -18.8365; 10.8028; 13.3231
108.74; 89.774; 94.792
1199.8O'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
2101985 CIF
Paper
C13 H9 N O3 SP 1 21/a 17.51; 21.16; 7.66
90; 92.043; 90
1216Low, John N.; Storey, Emily J.; McCarron, Mary; Wardell, James L.; Ferguson, George; Glidewell, Christopher
Conformational preferences in 2-nitrophenylthiolates: interplay between intra- and intermolecular forces; structures of (<i>E</i>)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, <i>S</i>-(2-nitrophenyl)benzenecarbothiolate and 1-(2-nitrophenylthio)-2,5-pyrrolidinedione
Acta Crystallographica Section B, 2000, 56, 58-67
2102073 CIF
Paper
Bi24 Br10 O31A 1 2/m 110.141; 4.005; 29.977
90; 90.197; 90
1217.5Eggenweiler, U.; Keller, E.; Krämer, V.
Redetermination of the crystal structures of the `Arppe compound' Bi~24~O~31~Cl~10~ and the isomorphous Bi~24~O~31~Br~10~
Acta Crystallographica Section B, 2000, 56, 431-437
2102167 CIF
HKL
Paper
C11 H8 S5P 1 21/a 111.929; 11.7639; 9.0612
90; 103.95; 90
1234.07Chohan, Zahid H.; Harrison, William T. A.; Howie, R. Alan; Milne, Bruce F.; Wardell, James L.
Crystallographic and molecular mechanics investigation of an order‒disorder transition and dimorphism in 5<i>H</i>,10<i>H</i>-dithiolo[2,3-<i>b</i>]-2,5-benzodithiocine-2-thione
Acta Crystallographica Section B, 2000, 56, 1011-1017
2102186 CIF
Paper
C12 H52 Cu4 N24 O10 S14P -111.079; 11.262; 12.195
64.843; 76.119; 66.059
1254.6Piro, O. E.; Piatti, R. C. V.; Bolzán, A. E.; Salvarezza, R. C.; Arvia, A. J.
X-ray diffraction study of copper(I) thiourea complexes formed in sulfate-containing acid solutions
Acta Crystallographica Section B, 2000, 56, 993-997
2102156 CIF
HKL
Paper
C12 H8 N2 O4 S2P 1 21/c 17.1028; 22.925; 7.7769
90; 95.536; 90
1260.4Glidewell, 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
2102168 CIF
HKL
Paper
C11 H8 S5C 1 2/m 112.075; 11.825; 9.063
90; 102.8; 90
1261.9Chohan, Zahid H.; Harrison, William T. A.; Howie, R. Alan; Milne, Bruce F.; Wardell, James L.
Crystallographic and molecular mechanics investigation of an order‒disorder transition and dimorphism in 5<i>H</i>,10<i>H</i>-dithiolo[2,3-<i>b</i>]-2,5-benzodithiocine-2-thione
Acta Crystallographica Section B, 2000, 56, 1011-1017
2102177 CIF
Paper
C10 H4 Br4 O2P -18.9147; 12.6402; 12.6547
85.738; 69.625; 72.72
1275.75Madhavi, 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
2102135 CIF
HKL
Paper
C7 H10 O2P c c n13.427; 13.689; 6.946
90; 90; 90
1276.7Katrusiak, A.
Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals
Acta Crystallographica Section B, 2000, 56, 872-881
2102136 CIF
HKL
Paper
C7 H10 O2P c c n13.426; 13.69; 6.987
90; 90; 90
1284.2Katrusiak, A.
Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals
Acta Crystallographica Section B, 2000, 56, 872-881
2102152 CIF
HKL
Paper
C13 H11 N O2 S2P 1 21/c 16.6384; 24.4389; 7.9478
90; 93.6346; 90
1286.82Glidewell, 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
2102137 CIF
HKL
Paper
C7 H10 O2P c c n13.466; 13.691; 7.053
90; 90; 90
1300.3Katrusiak, A.
Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals
Acta Crystallographica Section B, 2000, 56, 872-881
2102138 CIF
Paper
C7 H10 O2P c c n13.466; 13.691; 7.053
90; 90; 90
1300.3Katrusiak, A.
Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals
Acta Crystallographica Section B, 2000, 56, 872-881
2102139 CIF
HKL
Paper
C7 H10 O2P c c n13.472; 13.692; 7.062
90; 90; 90
1302.6Katrusiak, A.
Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals
Acta Crystallographica Section B, 2000, 56, 872-881
2102140 CIF
HKL
Paper
C7 H10 O2P c c n13.472; 13.692; 7.09
90; 90; 90
1307.8Katrusiak, A.
Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals
Acta Crystallographica Section B, 2000, 56, 872-881
2102051 CIF
Paper
C22 H28 N2 O6 S4P -18.4277; 13.0779; 13.401
116.532; 97.1; 90.425
1308.1Nagel, 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
2102146 CIF
Paper
C10 H15 N5 O4P 21 21 218.9136; 11.2501; 13.0585
90; 90; 90
1309.49Low, 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
2102141 CIF
HKL
Paper
C7 H10 O2P c c n13.492; 13.692; 7.091
90; 90; 90
1309.9Katrusiak, A.
Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals
Acta Crystallographica Section B, 2000, 56, 872-881
2102142 CIF
HKL
Paper
C7 H10 O2P c c n13.498; 13.691; 7.095
90; 90; 90
1311.2Katrusiak, A.
Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals
Acta Crystallographica Section B, 2000, 56, 872-881
2102143 CIF
HKL
Paper
C7 H10 O2I b a m13.51; 13.69; 7.111
90; 90; 90
1315.2Katrusiak, A.
Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals
Acta Crystallographica Section B, 2000, 56, 872-881
2102144 CIF
HKL
Paper
C7 H10 O2I b a m13.558; 13.696; 7.174
90; 90; 90
1332.1Katrusiak, A.
Conformational transformation coupled with the order‒disorder phase transition in 2-methyl-1,3-cyclohexanedione crystals
Acta Crystallographica Section B, 2000, 56, 872-881
2102184 CIF
Paper
C27 H15 Br3 Cl3 N3 O3P 6315.166; 15.166; 6.743
90; 90; 120
1343.2Broder, Charlotte K.; Howard, Judith A. K.; Keen, David A.; Wilson, Chick C.; Allen, Frank H.; Jetti, Ram K. R.; Nangia, Ashwini; Desiraju, Gautam R.
Halogen trimer synthons in crystal engineering: low-temperature X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene
Acta Crystallographica Section B, 2000, 56, 1080-1084
2102183 CIF
Paper
C27 H15 Br3 Cl3 N3 O3P 6315.25; 15.25; 6.8149
90; 90; 120
1372.6Broder, Charlotte K.; Howard, Judith A. K.; Keen, David A.; Wilson, Chick C.; Allen, Frank H.; Jetti, Ram K. R.; Nangia, Ashwini; Desiraju, Gautam R.
Halogen trimer synthons in crystal engineering: low-temperature X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene
Acta Crystallographica Section B, 2000, 56, 1080-1084
2102088 CIF
Paper
C13 H19 N3 O6P 21 21 217.984; 9.535; 18.352
90; 90; 90
1397.1Pichon-Pesme, Virginie; Lachekar, Hassane; Souhassou, Mohamed; Lecomte, Claude
Electron density and electrostatic properties of two peptide molecules: tyrosyl-glycyl-glycine monohydrate and glycyl-aspartic acid dihydrate
Acta Crystallographica Section B, 2000, 56, 728-737
2102201 CIF
HKL
Paper
C13 H14 O5 S SeP 1 21/c 15.8838; 16.0925; 14.929
90; 95.547; 90
1406.9Sørensen, Henning Osholm; Stuhr-Hansen, Nicolai; Henriksen, Lars; Larsen, Sine
Structural characterization of protonated benzeneseleninic acid, the dihydroxyselenonium ion
Acta Crystallographica Section B, 2000, 56, 1029-1034
2102125 CIF
HKL
Paper
C7 H3 Cl2 NC 1 2/m 118.0525; 20.7374; 3.8334
90; 101.143; 90
1408.02Britton, Doyle; Noland, Wayland E.; Pinnow, Matthew J.
Isomorphism and pseudosymmetry in 2,6-dichloro- and 2,6-dibromobenzonitrile
Acta Crystallographica Section B, 2000, 56, 822-827
2102060 CIF
Paper
H6 I2 N2 PdP b c a13.906; 13.5035; 7.505
90; 90; 90
1409.29Kirik, 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
2101990 CIF
HKL
Paper
C15 H13 N O5 SP 21 21 215.5704; 8.619; 30.356
90; 90; 90
1457.4Olivato, 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
2102108 CIF
HKL
Paper
C7 H7 N O SP b c a20.243; 9.087; 8.137
90; 90; 90
1496.8Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru
Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides
Acta Crystallographica Section B, 2000, 56, 682-689
2101965 CIF
HKL
Paper
C46 H104 N14 O12P -18.39; 9.894; 18.908
105.06; 94.91; 93.82
1503.6Feng Xue; Thomas C. W. Mak
Channel- and layer-type anionic host structures in inclusion compounds of urea, tetraalkylammonium terephthalate/trimesate and water
Acta Crystallographica Section B, 2000, 56, 142-154
2102126 CIF
HKL
Paper
C7 H3 Br2 NC 1 2/m 118.2269; 21.349; 3.9663
90; 101.446; 90
1512.7Britton, Doyle; Noland, Wayland E.; Pinnow, Matthew J.
Isomorphism and pseudosymmetry in 2,6-dichloro- and 2,6-dibromobenzonitrile
Acta Crystallographica Section B, 2000, 56, 822-827
2101982 CIF
Paper
C30 H48 N4 O8P 1 21/c 18.9162; 11.8903; 14.5229
90; 100.419; 90
1514.3Gregson, 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
2102022 CIF
HKL
Paper
C34 H30 N2 O3 Si2P -18.9245; 10.19; 17.366
99.57; 100.519; 93.8
1523.5O'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
2101957 CIF
HKL
Paper
C24 H54 N4 O10P 1 21/c 18.1772; 12.3974; 16.8804
90; 116.231; 90
1535.04Lough, Alan J.; Gregson, Richard M.; Ferguson, George; Glidewell, Christopher
Two different three-dimensional hydrogen-bonded framework structures in two hydrated adducts <i>meso</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane‒terephthalic acid‒water (1/1/4) and (1/1/6)
Acta Crystallographica Section B, 2000, 56, 85-93
2102133 CIF
Paper
C5 H10 N2 O4P 41 21 210.594; 10.594; 13.771
90; 90; 90
1545.6Rychlewska, 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
2102076 CIF
Paper
C18 H26 O3P 21 21 2114.241; 9.4401; 11.648
90; 90; 90
1565.9Anthony, 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
2102075 CIF
Paper
C18 H26 O3P 21 21 216.318; 6.4489; 38.841
90; 90; 90
1582.5Anthony, 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
2102102 CIF
HKL
Paper
C29 H44 O10 SiP 1 21 17.537; 10.183; 20.843
90; 94.93; 90
1593.8Dillen, Jan L.M.; Bredenkamp, Martin W.; Prinsloo, Mare-Loe
Single crystal structure and molecular dynamics analysis of a <i>myo</i>-inositol derivative
Acta Crystallographica Section B, 2000, 56, 738-743
2102079 CIF
Paper
C18 H26 O4P 21 21 219.3361; 9.6261; 17.764
90; 90; 90
1596.5Anthony, 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
2102171 CIF
HKL
Paper
C17 H16 N4 O4P 1 21/n 114.111; 7.567; 15.338
90; 99.967; 90
1613Chisholm, 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
2102131 CIF
Paper
K3 Nd O17 Si7P -316.131; 16.131; 7.175
90; 90; 120
1616.9Haile, S. M.; Wuensch, B. J.
X-ray diffraction study of K~3~NdSi~7~O~17~: a new framework silicate with a linear Si—O—Si bond
Acta Crystallographica Section B, 2000, 56, 773-779
2101980 CIF
Paper
C31 H52 N4 O7P -19.4481; 9.8905; 18.0942
88.704; 78.675; 77.525
1618.43Gregson, 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
2102103 CIF
HKL
Paper
C29 H44 O10 SiP 1 21 17.5722; 10.2402; 21.1352
90; 96.188; 90
1629.29Dillen, Jan L.M.; Bredenkamp, Martin W.; Prinsloo, Mare-Loe
Single crystal structure and molecular dynamics analysis of a <i>myo</i>-inositol derivative
Acta Crystallographica Section B, 2000, 56, 738-743
2102078 CIF
Paper
C18 H26 O4P 21 21 216.335; 9.482; 27.245
90; 90; 90
1636.6Anthony, 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
2102044 CIF
Paper
C36 H30 As2 Cl2 PtP 1 21/n 19.2706; 19.726; 9.83
90; 111.83; 90
1668.7Johansson, 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
2102027 CIF
Paper
C22 H30 N8 O8P -19.7029; 10.9369; 16.7647
84.271; 79.399; 75.264
1688.55Lough, 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
2101966 CIF
HKL
Paper
C25 H58 N4 O10P -19.432; 12.601; 14.804
79.98; 79.2; 84.18
1697.7Feng Xue; Thomas C. W. Mak
Channel- and layer-type anionic host structures in inclusion compounds of urea, tetraalkylammonium terephthalate/trimesate and water
Acta Crystallographica Section B, 2000, 56, 142-154
2102157 CIF
HKL
Paper
C14 H6 F6 N2 O4 S2P 1 21/c 114.1617; 5.3367; 22.6233
90; 91.7376; 90
1709.01Glidewell, 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
2102069 CIF
Paper
H4 K3 Nd O17 Si6P b a m16.008; 15.004; 7.2794
90; 90; 90
1748.4Haile, S. M.; Wuensch, B. J.
Structure, phase transitions and ionic conductivity of K~3~NdSi~6~O~15~·<i>x</i>H~2~O. I. α-K~3~NdSi~6~O~15~·2H~2~O and its polymorphs
Acta Crystallographica Section B, 2000, 56, 335-348
2102104 CIF
HKL
Paper
C10 H11 N OC 1 2/c 123.599; 9.148; 8.208
90; 87.69; 90
1770.5Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru
Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides
Acta Crystallographica Section B, 2000, 56, 682-689
2102034 CIF
Paper
Al H24 K O20 S2P a -312.135; 12.135; 12.135
90; 90; 90
1786.98Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.
Structure of the alums. I. On the sulfate group disorder in the α-alums
Acta Crystallographica Section B, 2000, 56, 204-209
2102035 CIF
Paper
Al H24 K O20 S2P a -312.164; 12.164; 12.164
90; 90; 90
1799.82Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.
Structure of the alums. I. On the sulfate group disorder in the α-alums
Acta Crystallographica Section B, 2000, 56, 204-209

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