Crystallography Open Database

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2102055 CIF
Paper
C13 H10 OC 1 2/c 116.2219; 8.1468; 16.334
90; 112.911; 90
1988.35Kutzke, Hartmut; Klapper, Helmut; Hammond, Robert B.; Roberts, Kevin J.
Metastable β-phase of benzophenone: independent structure determinations via X-ray powder diffraction and single crystal studies
Acta Crystallographica, Section B: Structural Science, 2000, 56, 486-496
2102056 CIF
Paper
C13 H10 OC 1 2/c 116.2; 8.104; 16.248
90; 112.82; 90
1966.2Kutzke, Hartmut; Klapper, Helmut; Hammond, Robert B.; Roberts, Kevin J.
Metastable β-phase of benzophenone: independent structure determinations via X-ray powder diffraction and single crystal studies
Acta Crystallographica, Section B: Structural Science, 2000, 56, 486-496
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
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
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
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
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
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
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
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
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
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
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
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
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
2102070 CIF
Paper
K3 Nd O15 Si6B b 21 m14.37; 15.518; 14.265
90; 90; 90
3181Haile, S. M.; Wuensch, B. J.
Structure, phase transitions and ionic conductivity of K~3~NdSi~6~O~15~·<i>x</i>H~2~O. II. Structure of β-K~3~NdSi~6~O~15~
Acta Crystallographica Section B, 2000, 56, 349-362
2102071 CIF
HKL
Paper
C252 N12 S18I 2 318.8492; 18.8492; 18.8492
90; 90; 90
6697Penicaud, Alain; Boubekeur, Kamal; Kotov, Alexander I.; Yagubskii, Eduard B.
Novel infinite three-dimensional network of neutral fullerene molecules in (C~60~)~8~(twin-TDAS)~6~
Acta Crystallographica Section B, 2000, 56, 497-500
2102072 CIF
HKL
Paper
Bi24 Cl10 O31P 1 2/c 110.033; 7.9745; 29.552
90; 88.742; 90
2363.8Eggenweiler, 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
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
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
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
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
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
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
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
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
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
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
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
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
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
2102086 CIF
Paper
Al477.44 Cr63.42 Fe51.42P 63/m40.68; 40.68; 12.546
90; 90; 120
17980Mo, Z.M.; Zhou, H.Y.; Kuo, K.H.
Structure of ν-Al~80.61~Cr~10.71~Fe~8.68~, a giant hexagonal approximant of a quasicrystal determined by a combination of electron microscopy and X-ray diffraction
Acta Crystallographica Section B, 2000, 56, 392-401
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
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
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
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
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
2102093 CIF
Paper
C76 H134 Cu2 N2 O12P -110.231; 12.878; 16.804
92.39; 104.31; 106.17
2045.9Rusjan, Marcia; Chaia, Zulema D.; Piro, Oscar E.; Guillon, Daniel; Cukiernik, Fabio D.
Synthesis, structure and magnetic properties of tetrakis-μ-carboxylato-bis(dodecylnicotinato)dicopper(II) complexes; crystal and molecular structure of the decyl carboxylate derivative
Acta Crystallographica Section B, 2000, 56, 666-672
2102094 CIF
Paper
C5 H6 N2I -413.799; 13.799; 10.876
90; 90; 90
2070.9Boese, Roland; Gehrke, Annette; Kapon, Moshe; Herbstein, Frank H.
Determining the crystal structure of twinned 2-methylpyrazine
Acta Crystallographica Section B, 2000, 56, 677-681
2102095 CIF
Paper
C5 H6 N2I -413.725; 13.725; 10.859
90; 90; 90
2045.6Boese, Roland; Gehrke, Annette; Kapon, Moshe; Herbstein, Frank H.
Determining the crystal structure of twinned 2-methylpyrazine
Acta Crystallographica Section B, 2000, 56, 677-681
2102096 CIF
HKL
Paper
H16 O20 U4P b c n14.6861; 13.9799; 16.7063
90; 90; 90
3429.97Weller, Mark T.; Light, Mark E.; Gelbrich, Thomas
Structure of uranium(VI) oxide dihydrate, UO~3~·2H~2~O; synthetic <i>meta</i>-schoepite (UO~2~)~4~O(OH)~6~·5H~2~O
Acta Crystallographica Section B, 2000, 56, 577-583
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
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
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
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
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
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
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
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
2102105 CIF
Paper
C10 H11 N OC 1 2/c 122.444; 9.557; 8.632
90; 94.5; 90
1845.8Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru
Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides
Acta Crystallographica Section B, 2000, 56, 682-689
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
2102127 CIF
Paper
Al96 Ca48 O384 Si96F m -3 c24.47; 24.47; 24.47
90; 90; 90
14652Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude
Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data
Acta Crystallographica Section B, 2000, 56, 766-772
2102128 CIF
Paper
Al96 Ca48 O384 Si96F m -3 c24.47; 24.47; 24.47
90; 90; 90
14652Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude
Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data
Acta Crystallographica Section B, 2000, 56, 766-772
2102129 CIF
Paper
Al96 Ca48 O384 Si96F m -3 c24.47; 24.47; 24.47
90; 90; 90
14652Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude
Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data
Acta Crystallographica Section B, 2000, 56, 766-772
2102130 CIF
Paper
Al96 Ca48 O384 Si96F -4 3 c24.47; 24.47; 24.47
90; 90; 90
14652Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude
Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data
Acta Crystallographica Section B, 2000, 56, 766-772
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
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
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
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
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
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
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
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
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
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
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
2102149 CIF
Paper
C5 H16 N O4 PP 1 21/n 19.149; 27.081; 7.29
90; 90.82; 90
1806Fábry, Jan; Petrícek, Václav; Kroupa, Jan; Císarová, Ivana
Ferroelastic structures of <i>n</i>-pentyl-, <i>n</i>- hexyl- and <i>n</i>-nonylammonium dihydrogenphosphate crystals
Acta Crystallographica Section B, 2000, 56, 906-914
2102150 CIF
Paper
C6 H18 N O4 PP 1 21/n 19.143; 29.637; 7.299
90; 90.86; 90
1977.6Fábry, Jan; Petrícek, Václav; Kroupa, Jan; Císarová, Ivana
Ferroelastic structures of <i>n</i>-pentyl-, <i>n</i>- hexyl- and <i>n</i>-nonylammonium dihydrogenphosphate crystals
Acta Crystallographica Section B, 2000, 56, 906-914
2102151 CIF
Paper
C9 H24 N O4 PP 1 21/n 19.138; 36.984; 7.383
90; 90.88; 90
2494.9Fábry, Jan; Petrícek, Václav; Kroupa, Jan; Císarová, Ivana
Ferroelastic structures of <i>n</i>-pentyl-, <i>n</i>- hexyl- and <i>n</i>-nonylammonium dihydrogenphosphate crystals
Acta Crystallographica Section B, 2000, 56, 906-914
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
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
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

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