Crystallography Open Database

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2100577 CIF
Paper
C9 H15 N3 O6P 21/n10.4105; 13.1294; 8.6735
90; 98.222; 90
1173.34Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.
Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives
Acta Crystallographica, Section B, 2006, 62, 864-874
2100578 CIF
Paper
C12 H15 N3 O6P 63/m10.983; 10.983; 6.7555
90; 90; 120
705.72Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.
Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives
Acta Crystallographica, Section B, 2006, 62, 864-874
2100579 CIF
Paper
C15 H18 O6P 6111.3588; 11.3588; 20.2725
90; 90; 120
2265.18Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.
Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives
Acta Crystallographica, Section B, 2006, 62, 864-874
2100580 CIF
Paper
C9 H10 N2 O2P 1 21/n 14.8591; 14.395; 12.25
90; 92.151; 90
856.2Broder, Charlotte K.; Barnett, Sarah A.; Gutmann, Matthias J.; Shankland, Kenneth; Wilson, Chick C.
Accurate molecular structures and hydrogen bonding in two polymorphs of <i>ortho</i>-acetamidobenzamide by single-crystal neutron diffraction
Acta Crystallographica Section B, 2006, 62, 926-930
2100581 CIF
Paper
C9 H10 N2 O2P 1 21/c 17.788; 8.972; 12.547
90; 101.12; 90
860.2Broder, Charlotte K.; Barnett, Sarah A.; Gutmann, Matthias J.; Shankland, Kenneth; Wilson, Chick C.
Accurate molecular structures and hydrogen bonding in two polymorphs of <i>ortho</i>-acetamidobenzamide by single-crystal neutron diffraction
Acta Crystallographica Section B, 2006, 62, 926-930
2100582 CIF
Paper
C13 H9 I N2 O3P 1 21/c 113.1804; 7.5099; 13.8849
90; 111.163; 90
1281.68Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100583 CIF
Paper
C13 H9 I N2 O3P 1 c 110.0528; 4.8703; 13.5719
90; 109.945; 90
624.63Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100584 CIF
Paper
C13 H9 I N2 O3P 1 21 111.0552; 8.9521; 12.8921
90; 96.3899; 90
1267.97Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100585 CIF
Paper
C13 H9 I N2 O3C 1 c 113.8494; 10.0495; 9.4203
90; 105.235; 90
1265.03Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100586 CIF
Paper
C13 H9 I N2 O3P 1 21/n 17.4798; 14.0889; 11.8138
90; 93.259; 90
1242.95Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100587 CIF
Paper
C13 H9 I N2 O3P -15.1047; 15.3015; 16.4806
95.356; 95.498; 91.15
1275.23Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher
Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures
Acta Crystallographica, Section B, 2006, 62, 931-943
2100588 CIF
Paper
C11 H11 N O5 ZnP -17.9853; 8.959; 9.055
103.228; 100.715; 99.844
604S. M. Hawxwell; H. Adams; L. Brammer
Two-dimensional metal-organic frameworks containing linear dicarboxylates
Acta Crystallographica Section B, 2006, 62, 808-814
2100589 CIF
Paper
C28 H24 O14 Zn3C 1 2/c 119.236; 10.588; 16.247
90; 109.109; 90
3126.7S. M. Hawxwell; H. Adams; L. Brammer
Two-dimensional metal-organic frameworks containing linear dicarboxylates
Acta Crystallographica Section B, 2006, 62, 808-814
2100590 CIF
Paper
C36 H44 N4 O18 Zn3P 1 21/c 112.968; 9.761; 18.336
90; 108.69; 90
2198.6S. M. Hawxwell; H. Adams; L. Brammer
Two-dimensional metal-organic frameworks containing linear dicarboxylates
Acta Crystallographica Section B, 2006, 62, 808-814
2100591 CIF
HKL
Paper
C60 H66 N6 O18 Zn3P 1 21/n 111.777; 14.727; 19.487
90; 101.748; 90
3309S. M. Hawxwell; H. Adams; L. Brammer
Two-dimensional metal-organic frameworks containing linear dicarboxylates
Acta Crystallographica Section B, 2006, 62, 808-814
2100592 CIF
Paper
C3 D7 N O3P 21 21 218.3096; 8.595; 5.4647
90; 90; 90
390.29S. A. Moggach; W. G. Marshall; S. Parsons
High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa
Acta Crystallographica, Section B, 2006, 62, 815-825
2100593 CIF
Paper
C3 D7 N O3P 21 21 216.87; 9.6396; 5.6058
90; 90; 90
371.24S. A. Moggach; W. G. Marshall; S. Parsons
High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa
Acta Crystallographica, Section B, 2006, 62, 815-825
2100594 CIF
Paper
C3 D7 N O3P 21 21 216.6874; 9.5815; 5.5619
90; 90; 90
356.38S. A. Moggach; W. G. Marshall; S. Parsons
High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa
Acta Crystallographica, Section B, 2006, 62, 815-825
2100595 CIF
Paper
C3 D7 N O3P 21 21 216.5477; 9.5405; 5.6092
90; 90; 90
350.4S. A. Moggach; W. G. Marshall; S. Parsons
High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa
Acta Crystallographica, Section B, 2006, 62, 815-825
2100596 CIF
Paper
C3 H4 K N3 O4C 1 2/m 111.037; 16.419; 7.1497
90; 103.68; 90
1258.9G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
Acta Crystallographica Section B, 2006, 62, 798-807
2100597 CIF
Paper
C3 H K2 N3 O3C m c m13.062; 6.62; 6.817
90; 90; 90
589.5G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
Acta Crystallographica Section B, 2006, 62, 798-807
2100598 CIF
Paper
C12 D17 K3 N12 O16C 1 2/m 112.8143; 16.3214; 11.8498
90; 97.52; 90
2457G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
Acta Crystallographica Section B, 2006, 62, 798-807
2100599 CIF
Paper
C12 D17 K3 N12 O16I 1 2/a 112.824; 16.332; 23.713
90; 97.514; 90
4923.8G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
Acta Crystallographica Section B, 2006, 62, 798-807
2100600 CIF
Paper
C12 H16 N12 O16 Rb3C 1 2/m 113.1499; 16.6185; 11.8444
90; 99.584; 90
2552.2G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke
Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system
Acta Crystallographica Section B, 2006, 62, 798-807
2100601 CIF
Paper
C6 H10 O5P 21 21 216.6614; 13.3104; 7.4914
90; 90; 90
664.232L. Smrcok; M. Sládkovicová; V. Langer; C. C. Wilson; M. Koós
On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study
Acta Crystallographica, Section B, 2006, 62, 912-918
2100602 CIF
Paper
C6 H10 O5P 21 21 216.656; 13.314; 7.468
90; 90; 90
661.799L. Smrcok; M. Sládkovicová; V. Langer; C. C. Wilson; M. Koós
On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study
Acta Crystallographica, Section B, 2006, 62, 912-918
2100603 CIF
HKL
Paper
C10 H8P 1 21/a 18.0348; 5.8899; 8.565
90; 123.59; 90
337.65F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100604 CIF
HKL
Paper
C10 H8P 1 21/a 17.9948; 5.8726; 8.542
90; 123.677; 90
333.74F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100605 CIF
HKL
Paper
C10 H8P 1 21/a 17.8523; 5.8106; 8.474
90; 124.027; 90
320.44F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100606 CIF
HKL
Paper
C10 H8P 1 21/a 17.6778; 5.721; 8.395
90; 124.55; 90
303.71F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100607 CIF
HKL
Paper
C16 H10P 1 21/a 115.35; 3.852; 8.65
90; 103.3; 90
498F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100608 CIF
HKL
Paper
C16 H10P 1 21/a 115.309; 3.8375; 8.3341
90; 102.606; 90
477.81F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham
Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene
Acta Crystallographica Section B, 2006, 62, 826-842
2100609 CIF
Paper
Al Ca SiP -6 m 24.1772; 4.1772; 26.3246
90; 90; 120
397.8K. M. Sparta; R. Müller; M. Merz; G. Roth; P. Adelmann; T. Wolf
Modulated corrugations in the crystal structure of the superconductor CaAlSi
Acta Crystallographica, Section B, 2006, 62, 710-718
2100610 CIF
Paper
Al Ca SiP -6 m 24.1772; 4.1772; 21.9372
90; 90; 120
331.5K. M. Sparta; R. Müller; M. Merz; G. Roth; P. Adelmann; T. Wolf
Modulated corrugations in the crystal structure of the superconductor CaAlSi
Acta Crystallographica, Section B, 2006, 62, 710-718
2100611 CIF
Paper
Ga0.444 O3.556 Ti1.444P2/m(\a1/2\g)004.0904; 2.9755; 4.7359
90; 90.2935; 90
57.6416Michiue, Yuichi; Yamamoto, Akiji; Tanaka, Masahiko
Superspace description of the homologous series Ga~4~Ti~m-4~O~2m-2~ with the crystallographic shear structure based on rutile
Acta Crystallographica, Section B, 2006, 62, 737-744
2100612 CIF
Paper
Cu0.299 Pb0.951 S3.357 Sb0.406 Sn0.851C -13.6733; 6.312; 11.9039
92.484; 90.687; 89.941
275.72M. Evain; V. Petricek; Y. Moëlo; C. Maurel
First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals
Acta Crystallographica Section B, 2006, 62, 775-789
2100613 CIF
Paper
C15 H12 O3C 1 2/c 127.299; 5.4343; 17.576
90; 116.215; 90
2339.2V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2100614 CIF
Paper
C15 H11 Cl O3P 1 21/n 113.932; 5.3108; 17.878
90; 105.137; 90
1276.9V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2100615 CIF
Paper
C16 H14 O3P c a 2117.602; 6.8423; 21.662
90; 90; 90
2609V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2100616 CIF
Paper
C16 H13 Cl O3P 1 21/n 114.147; 5.33; 18.618
90; 104.777; 90
1357.4V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2100617 CIF
Paper
C14 H14 Cl N O6P -15.6849; 9.028; 14.8742
74.923; 83.543; 71.815
699.89V. Bertolasi; L. Pretto; G. Gilli; P. Gilli
π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)
Acta Crystallographica, Section B, 2006, 62, 850-863
2100618 CIF
Paper
C45 H67 N9 O11 SP 21 21 2111.359; 18.383; 23.325
90; 90; 90
4871Altamura, Maria R.; Dapporto Paolo; Fedi, Valentina; Giolitti, Alessandro; Guerri, Annalisa; Guidi, Antonio; Paoli, Paola; Rossi, Patrizia
New monocyclic and acyclic hNK-2 antagonists retaining the β-turn feature. X-ray and molecular modelling studies
Acta Crystallographica, Section B, 2006, 62, 889-896
2100619 CIF
Paper
C37 H48 N4 O4 SP 1 21 114.0346; 9.8834; 25.617
90; 98.152; 90
3517.4Altamura, Maria R.; Dapporto Paolo; Fedi, Valentina; Giolitti, Alessandro; Guerri, Annalisa; Guidi, Antonio; Paoli, Paola; Rossi, Patrizia
New monocyclic and acyclic hNK-2 antagonists retaining the β-turn feature. X-ray and molecular modelling studies
Acta Crystallographica, Section B, 2006, 62, 889-896
2100620 CIF
Paper
C6 H31 N5 O15 P2P 1 21 17.851; 21.976; 11.332
90; 90; 90
1955.2Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
Acta Crystallographica, Section B, 2006, 62, 919-925
2100621 CIF
Paper
C6 H31 N5 O15 P2P 21 21 217.851; 21.976; 5.666
90; 90; 90
977.6Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
Acta Crystallographica, Section B, 2006, 62, 919-925
2100622 CIF
Paper
C6 H31 N5 O15 P2P 1 21 17.851; 22.048; 11.325
90; 90.04; 90
1960.3Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
Acta Crystallographica, Section B, 2006, 62, 919-925
2100623 CIF
Paper
C6 H31 N5 O15 P2P 1 21 17.855; 22.105; 11.317
90; 90.05; 90
1965Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
Acta Crystallographica, Section B, 2006, 62, 919-925
2100624 CIF
Paper
C6 H31 N5 O15 P2P 1 21 17.861; 22.163; 11.315
90; 90.06; 90
1971.3Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz
Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate
Acta Crystallographica, Section B, 2006, 62, 919-925
2100625 CIF
Paper
H2 O4 P TlP 1 21/a 114.331; 4.535; 6.514
90; 91.67; 90
423.2Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.
Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature
Acta Crystallographica, Section B, 2006, 62, 719-728
2100626 CIF
Paper
H2 O4 P TlP 1 21/a 114.26; 4.517; 6.497
90; 92.19; 90
418.2Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.
Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature
Acta Crystallographica, Section B, 2006, 62, 719-728
2100627 CIF
Paper
H8 O16 P4 Tl4C -128.483; 9.016; 6.502
90.09; 92.21; 90.49
1668.4Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.
Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature
Acta Crystallographica, Section B, 2006, 62, 719-728
2100628 CIF
Paper
Ag14.585 As0.337 Cu1.415 S8.341 Sb1.663 Se2.659P -3 m 17.595; 7.595; 12.0731
90; 90; 120
603.12M. Evain; L. Bindi; S. Menchetti
Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2]
Acta Crystallographica, Section B, 2006, 62, 768-774
2100629 CIF
Paper
Ag14.691 Cu1.309 S8.369 Sb2 Se2.631P 1 21/c 113.1426; 7.5879; 23.729
90; 90; 90
2366.4M. Evain; L. Bindi; S. Menchetti
Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2]
Acta Crystallographica, Section B, 2006, 62, 768-774
2100630 CIF
Paper
C21 H18 O5P 1 21/c 18.367; 8.4724; 23.6852
90; 92.514; 90
1677.39R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida
Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone
Acta Crystallographica, Section B, 2006, 62, 843-849
2100631 CIF
Paper
C22 H20 O5P 1 21/n 19.0604; 19.0147; 10.5963
90; 101.333; 90
1789.9R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida
Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone
Acta Crystallographica, Section B, 2006, 62, 843-849
2100632 CIF
Paper
C52 H52 O10P n a 2111.9602; 18.6249; 19.9648
90; 90; 90
4447.3R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida
Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone
Acta Crystallographica, Section B, 2006, 62, 843-849
2100633 CIF
Paper
C12 H36 Mo8 N4 O30P -112.3378; 14.417; 16.1439
100.927; 106.487; 104.11
2565M. Evain; V. Petricek; V. Coué; R. Dessapt; M. Bujoli-Doeuff; S. Jobic
Commensurate (C6H14N2)2[Mo8O26]·4H2O and incommensurate (C6H14N2)2[Mo8O26]·4.66H2O: a structural versatility linked to solvent content
Acta Crystallographica, Section B, 2006, 62, 790-797
2100634 CIF
Paper
C12 H37.32 Mo8 N4 O30.66P-1(\a\b\g)07.8907; 10.0855; 12.4131
113.685; 92.857; 101.244
878.2M. Evain; V. Petricek; V. Coué; R. Dessapt; M. Bujoli-Doeuff; S. Jobic
Commensurate (C6H14N2)2[Mo8O26]·4H2O and incommensurate (C6H14N2)2[Mo8O26]·4.66H2O: a structural versatility linked to solvent content
Acta Crystallographica, Section B, 2006, 62, 790-797
2100635 CIF
Paper
F3 FeR -3 c :H5.1979; 5.1979; 13.339
90; 90; 120
312.11Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100636 CIF
Paper
C WP -6 m 22.9034; 2.9034; 2.8397
90; 90; 120
20.731Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100637 CIF
Paper
NiF m -3 m3.5451; 3.5451; 3.5451
90; 90; 90
44.56Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100638 CIF
Paper
F3 FeR -3 c :H5.0094; 5.0094; 13.3971
90; 90; 120
291.15Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100639 CIF
Paper
C WP -6 m 22.9039; 2.9039; 2.8293
90; 90; 120
20.662Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100640 CIF
Paper
NiF m -3 m3.5359; 3.5359; 3.5359
90; 90; 90
44.21Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100641 CIF
Paper
F3 FeR -3 c :H4.919; 4.919; 13.4307
90; 90; 120
281.44Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100642 CIF
Paper
C WP -6 m 22.896; 2.896; 2.8389
90; 90; 120
20.62Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100643 CIF
Paper
NiF m -3 m3.5315; 3.5315; 3.5315
90; 90; 90
44.04Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100644 CIF
Paper
F3 FeR -3 c :H4.7683; 4.7683; 13.4386
90; 90; 120
264.61Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100645 CIF
Paper
C WP -6 m 22.8934; 2.8934; 2.8315
90; 90; 120
20.528Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100646 CIF
Paper
NiF m -3 m3.5251; 3.5251; 3.5251
90; 90; 90
43.8Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100647 CIF
Paper
F3 FeR -3 c :H4.6866; 4.6866; 13.3677
90; 90; 120
254.27Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100648 CIF
Paper
C WP -6 m 22.89; 2.89; 2.8212
90; 90; 120
20.406Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100649 CIF
Paper
NiF m -3 m3.5194; 3.5194; 3.5194
90; 90; 90
43.59Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100650 CIF
Paper
F3 FeR -3 c :H5.1145; 5.1145; 13.347
90; 90; 120
302.36Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100651 CIF
Paper
C WP -6 m 22.9036; 2.9036; 2.828
90; 90; 120
20.646Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100652 CIF
Paper
NiF m -3 m3.54; 3.5398; 3.5398
90; 90; 90
44.36Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100653 CIF
Paper
F3 FeR -3 c :H4.9636; 4.9636; 13.419
90; 90; 120
286.32Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100654 CIF
Paper
C WP -6 m 22.9017; 2.9017; 2.834
90; 90; 120
20.668Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100655 CIF
Paper
NiF m -3 m3.533; 3.5327; 3.5327
90; 90; 90
44.09Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100656 CIF
Paper
F3 FeR -3 c :H4.84; 4.84; 13.4413
90; 90; 120
272.69Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100657 CIF
Paper
C WP -6 m 22.8991; 2.8991; 2.834
90; 90; 120
20.624Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100658 CIF
Paper
NiF m -3 m3.532; 3.5316; 3.5316
90; 90; 90
44.04Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100659 CIF
Paper
F3 FeR -3 c :H4.7202; 4.7202; 13.411
90; 90; 120
258.77Jørgensen, Jens-Erik; Smith, R. I.
On the compression mechanism of FeF~3~
Acta Crystallographica Section B, 2006, 62, 987-992
2100660 CIF
Paper
C WP -6 m 22.889; 2.889; 2.827
90; 90; 120
20.434Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100661 CIF
Paper
NiF m -3 m3.521; 3.5206; 3.5206
90; 90; 90
43.64Jørgensen, Jens-Erik; Smith, R. I.
On the Compression Mechanism of FeF3
Acta Crystallographica, Section B, 2006, 62, 987-992
2100662 CIF
HKL
Paper
C3 H5 Cl3P 1 21/n 15.1404; 11.363; 9.885
90; 96.21; 90
574Marcin Podsiad{λ}o; Andrzej Katrusiak
Pressure-frozen 1,2,3-trichloropropane
Acta Crystallographica Section B, 2006, 62, 1071-1077
2100663 CIF
HKL
Paper
C3 H5 Cl3P 1 21/n 15.1285; 11.377; 9.859
90; 96.13; 90
571.95Marcin Podsiad{λ}o; Andrzej Katrusiak
Pressure-frozen 1,2,3-trichloropropane
Acta Crystallographica Section B, 2006, 62, 1071-1077
2100664 CIF
HKL
Paper
C2 H8 N2P 1 21/c 15.065; 7.181; 5.508
90; 115.07; 90
181.46Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej
Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure
Acta Crystallographica Section B, 2006, 62, 1078-1089
2100665 CIF
HKL
Paper
C2 H8 N2P 1 21/c 15.07; 7.185; 5.501
90; 115.11; 90
181.45Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej
Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure
Acta Crystallographica Section B, 2006, 62, 1078-1089
2100666 CIF
HKL
Paper
C2 H8 N2P 1 21/c 15.102; 7.197; 5.535
90; 115.18; 90
183.93Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej
Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure
Acta Crystallographica Section B, 2006, 62, 1078-1089
2100667 CIF
HKL
Paper
C2 H8 N2P 1 21/c 15.078; 7.204; 5.528
90; 115.24; 90
182.9Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej
Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure
Acta Crystallographica Section B, 2006, 62, 1078-1089
2100668 CIF
Paper
C2 H8 N2P 1 21/c 14.949; 7.704; 4.96
90; 116.7; 90
168.9Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej
Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure
Acta Crystallographica Section B, 2006, 62, 1078-1089
2100669 CIF
Paper
C2 H8 N2P 1 21/c 14.82; 7.563; 4.873
90; 114.5; 90
162Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej
Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure
Acta Crystallographica Section B, 2006, 62, 1078-1089
2100670 CIF
Paper
C2 H8 N2P 1 21/c 19.69; 7.488; 4.849
90; 114; 90
321Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej
Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure
Acta Crystallographica Section B, 2006, 62, 1078-1089
2100671 CIF
Paper
C2 H8 N2P 1 21/c 15.1; 5.212; 7.262
90; 111.6; 90
179.5Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej
Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure
Acta Crystallographica Section B, 2006, 62, 1078-1089
2100672 CIF
Paper
C2 H8 N2P 1 21/c 15.031; 5.132; 7.167
90; 110.6; 90
173.2Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej
Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure
Acta Crystallographica Section B, 2006, 62, 1078-1089
2100673 CIF
HKL
Paper
C2 H8 N2P 1 21/c 14.9921; 5.137; 7.2
90; 110.87; 90
172.53Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej
Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure
Acta Crystallographica Section B, 2006, 62, 1078-1089
2100674 CIF
Paper
As Ga O4P 38.2033195; 8.2033195; 4.3941092
90; 90; 120
256.083Santamaría-Pérez, David; Haines, Julien; Amador, Ulises; Morán, Emilio; Vegas, Angel
Structural characterization of a new high-pressure phase of GaAsO~4~
Acta Crystallographica Section B, 2006, 62, 1019-1024
2100675 CIF
Paper
As2 O3F d -3 m :211.0771; 11.0771; 11.0771
90; 90; 90
1359.18Santamaría-Pérez, David; Haines, Julien; Amador, Ulises; Morán, Emilio; Vegas, Angel
Structural characterization of a new high-pressure phase of GaAsO~4~
Acta Crystallographica Section B, 2006, 62, 1019-1024
2100676 CIF
Paper
C H2 Br2C 1 2/c 112.031; 4.3385; 14.795
90; 109.51; 90
727.9Marcin Podsiad{λ}o; Kamil F. Dziubek; Marek Szafranski; Andrzej Katrusiak
Molecular interactions in crystalline dibromomethane and diiodomethane, and the stabilities of their high-pressure and low-temperature phases
Acta Crystallographica Section B, 2006, 62, 1090-1098

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