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Neutron diffraction analysis of positional oxygen and hydrogen disorder in Ba[Fe(CN)5NO] · 3H2O

Published/Copyright: August 25, 2010
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Zeitschrift für Kristallographie
From the journal Zeitschrift für Kristallographie Volume 198 Issue 1-2

Abstract

Ba[Fe(CN)5NO] · 3H2O, Mr = 730.591, Pbcm, a = 7.610(1) Å, b = 19.389(6) Å, c = 8.628(1) Å, V = 1273.1 Å3, Z = 4, D = 2.13 g cm−3, λ = 0.87013 Å, μ = 0.031 cm−1, F(000) = 418.4 fm, T = 297 K, R = 0.037, wR = 0.033, S2 = 1.17(0.03), two crystals: 2615 and 1098 measured, 1102 and 968 unique intensities, 143 parameters, refinement on |F|2 including weak and negative intensities. The intensities are shown to be normally and independently distributed and their variances to be properly determined. Two water molecules occupy split positions forming enantiomorphous chains parallel c. Left- and right-handed forms of the chains are statistically distributed over the crystal.

Published Online: 2010-08-25
Published in Print: 1992

Articles in the same Issue

  1. Zur kristallchemischen Einordnung von NaSbCl6, NaNbCl6 und NaTaCl6
  2. The symmetry operations for n-dimensional periodic and quasi-periodic structures *
  3. Crystal growth, crystal structure, optical, electro-optic and electrostrictive properties of the complex silver thiocyanates Cs3Sr[Ag2(SCN)7] and Cs3Ba[Ag2(SCN)7]
  4. Beiträge zum thermischen Verhalten wasserfreier Phosphate
  5. Reaction of heptamethyldisilazane with oxo ligands. Crystal structure of Re(NMe)Cl3(PPh3)2 · 0.5 C7H8 and ReO(OSiMe3)Cl2py2
  6. Crystal structure and bonding of bis-(1H-indole-3-ethylene-3′-methoxy-salicylaldimine)copper(II) monohydrate
  7. The superstructure of K3HGe7O16 · 4H2O
  8. The crystal structure of (Mg,Ga)8(Ga,Ge)2O12
  9. On the density of the p31m packing of ellipses
  10. Verfeinerung der Kristallstrukturen von Ta5As4 und monoklinem Nb4.7Te4
  11. Neutron diffraction analysis of positional oxygen and hydrogen disorder in Ba[Fe(CN)5NO] · 3H2O
  12. Crystal structure of hexacarbonyl tungsten, W(CO)6
  13. Crystal structure of indium antimony trisulfide, InSbS3
  14. Crystal structure of N-(2-hydroxyphenyl)-salicylaldiminato-ammine-nickel, NH3NiO(C6H4)CHN(C6H4)O
  15. Crystal structure of methylamin-(N,N′-1,3-propyldisalicylaldiminato)-Ni(II)-bis(N-methylsalicylaldiminato)-Ni(II), CH3NH2O(C6H4)CHNCH2CH2CH2NCH(C6H4)ONi2O(C6H4)CHNCH3O(C6H4)CHNCH3
  16. Crystal structure of N-(2-hydroxyphenyl)salicylaldiminato-diethylamine-nickel, (CH3CH2)2NHNiO(C6H4)NCH(C6H4)O
  17. Crystal structure of N-benzylsalicylaldimine, OH(C6H4)CHNCH2(C6H5)
  18. Crystal structure of benzhydrazide, NH2NHCO(C6H5)
  19. Crystal structure of triphenylphosphine(O-ethyldithiocarbonato)gold(I), (C6H5)3PAu(S2COC2H5)
  20. Crystal structure of (Z)-1-methoxycarbonyl-2-phenyl-1-phthalimidocyclopropane, C19H15NO4
  21. Crystal structure of meso-bis(1,4-dimethylpiperazine-2,5-dione-3-yl), C12H18N4O4
  22. Crystal structure of dichloro(N-methyl-2,2′-bipyridylium)platinum(II), C11H10Cl2N2Pt
  23. Crystal structure of [3′R*, IR*, 4S*, 6S*]-1-(3′-hydroxybut-1′-ynyl)-2,2,6-trimethylcyclohexane-1,4-diol, C13H22O3
  24. Crystal structure of methyl-2-phthalimido-3-methylbut-2-enoate, C14H13N1O4
  25. Crystal structure of chloro(η-cyclopentadienyl)bis(triphenylphosphine)ruthenium, C42H37Cl3P2Ru
  26. Crystal structure of 7H+,16H+-1,4,10,13-tetrathia-7,16-diazacyclooctadecane bis(tetraphenylboronate), (C12H28N2S4)((C6H5)4B)2
  27. Crystal structure of cobalt sulfanilate tetrahydrate, (Co(NH2C6H4SO3)2)(H2O)4
  28. Crystal structure of zinc sulfanilate tetrahydrate, (Zn(NH2C6H4SO3)2)(H2O)4
  29. Crystal structure of hexaaquamagnesium sulfanilate, (Mg(NH2C6H4SO3)2)(H2O)6
  30. Crystal structure of tetragadolinium hexanickel icosatresaluminium, Gd4Ni6Al23 with Y4Ni6Al23 type
  31. Crystal structure of europium dirhodium digermanium, EuRh2Ge2 with ThCr2Si2 type
  32. Crystal structure of ytterbium rhodium germanium, YbRhGe with TiNiSi type
https://doi.org/10.1524/zkri.1992.198.1-2.111

Articles in the same Issue

  1. Zur kristallchemischen Einordnung von NaSbCl6, NaNbCl6 und NaTaCl6
  2. The symmetry operations for n-dimensional periodic and quasi-periodic structures *
  3. Crystal growth, crystal structure, optical, electro-optic and electrostrictive properties of the complex silver thiocyanates Cs3Sr[Ag2(SCN)7] and Cs3Ba[Ag2(SCN)7]
  4. Beiträge zum thermischen Verhalten wasserfreier Phosphate
  5. Reaction of heptamethyldisilazane with oxo ligands. Crystal structure of Re(NMe)Cl3(PPh3)2 · 0.5 C7H8 and ReO(OSiMe3)Cl2py2
  6. Crystal structure and bonding of bis-(1H-indole-3-ethylene-3′-methoxy-salicylaldimine)copper(II) monohydrate
  7. The superstructure of K3HGe7O16 · 4H2O
  8. The crystal structure of (Mg,Ga)8(Ga,Ge)2O12
  9. On the density of the p31m packing of ellipses
  10. Verfeinerung der Kristallstrukturen von Ta5As4 und monoklinem Nb4.7Te4
  11. Neutron diffraction analysis of positional oxygen and hydrogen disorder in Ba[Fe(CN)5NO] · 3H2O
  12. Crystal structure of hexacarbonyl tungsten, W(CO)6
  13. Crystal structure of indium antimony trisulfide, InSbS3
  14. Crystal structure of N-(2-hydroxyphenyl)-salicylaldiminato-ammine-nickel, NH3NiO(C6H4)CHN(C6H4)O
  15. Crystal structure of methylamin-(N,N′-1,3-propyldisalicylaldiminato)-Ni(II)-bis(N-methylsalicylaldiminato)-Ni(II), CH3NH2O(C6H4)CHNCH2CH2CH2NCH(C6H4)ONi2O(C6H4)CHNCH3O(C6H4)CHNCH3
  16. Crystal structure of N-(2-hydroxyphenyl)salicylaldiminato-diethylamine-nickel, (CH3CH2)2NHNiO(C6H4)NCH(C6H4)O
  17. Crystal structure of N-benzylsalicylaldimine, OH(C6H4)CHNCH2(C6H5)
  18. Crystal structure of benzhydrazide, NH2NHCO(C6H5)
  19. Crystal structure of triphenylphosphine(O-ethyldithiocarbonato)gold(I), (C6H5)3PAu(S2COC2H5)
  20. Crystal structure of (Z)-1-methoxycarbonyl-2-phenyl-1-phthalimidocyclopropane, C19H15NO4
  21. Crystal structure of meso-bis(1,4-dimethylpiperazine-2,5-dione-3-yl), C12H18N4O4
  22. Crystal structure of dichloro(N-methyl-2,2′-bipyridylium)platinum(II), C11H10Cl2N2Pt
  23. Crystal structure of [3′R*, IR*, 4S*, 6S*]-1-(3′-hydroxybut-1′-ynyl)-2,2,6-trimethylcyclohexane-1,4-diol, C13H22O3
  24. Crystal structure of methyl-2-phthalimido-3-methylbut-2-enoate, C14H13N1O4
  25. Crystal structure of chloro(η-cyclopentadienyl)bis(triphenylphosphine)ruthenium, C42H37Cl3P2Ru
  26. Crystal structure of 7H+,16H+-1,4,10,13-tetrathia-7,16-diazacyclooctadecane bis(tetraphenylboronate), (C12H28N2S4)((C6H5)4B)2
  27. Crystal structure of cobalt sulfanilate tetrahydrate, (Co(NH2C6H4SO3)2)(H2O)4
  28. Crystal structure of zinc sulfanilate tetrahydrate, (Zn(NH2C6H4SO3)2)(H2O)4
  29. Crystal structure of hexaaquamagnesium sulfanilate, (Mg(NH2C6H4SO3)2)(H2O)6
  30. Crystal structure of tetragadolinium hexanickel icosatresaluminium, Gd4Ni6Al23 with Y4Ni6Al23 type
  31. Crystal structure of europium dirhodium digermanium, EuRh2Ge2 with ThCr2Si2 type
  32. Crystal structure of ytterbium rhodium germanium, YbRhGe with TiNiSi type
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