Crystallography Open Database

Result: there are 269 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'Acta Crystallographica B' volume of publication is 56

Blue left arrow Blue left arrow First | Blue left arrow Previous 100 | of 3 | Next 100 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
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

Blue left arrow Blue left arrow First | Blue left arrow Previous 100 | of 3 | Next 100 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!