Crystallography Open Database

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2102876 CIF
Paper
C43 H59 O13.5P -111.2902; 14.1299; 14.7991
108.584; 109.266; 92.56
2082.65Shao-Liang Zheng; Marc Messerschmidt; Philip Coppens
Single-Crystal-to-Single-Crystal E->Z Isomerization of Tiglic acid in a Supramolecular Framework
Acta Crystallographica, Section B, 2007, 63, 650-655
2102877 CIF
Paper
C43 H59 O13.5P -111.2988; 14.1506; 14.8012
108.561; 109.475; 92.4244
2085.7Shao-Liang Zheng; Marc Messerschmidt; Philip Coppens
Single-Crystal-to-Single-Crystal E->Z Isomerization of Tiglic acid in a Supramolecular Framework
Acta Crystallographica, Section B, 2007, 63, 650-655
2102878 CIF
Paper
C43 H59 O13.5P -111.3096; 14.1748; 14.8116
108.57; 109.632; 92.276
2091.2Shao-Liang Zheng; Marc Messerschmidt; Philip Coppens
Single-Crystal-to-Single-Crystal E->Z Isomerization of Tiglic acid in a Supramolecular Framework
Acta Crystallographica, Section B, 2007, 63, 650-655
2102879 CIF
Paper
C12 H12 Cl2 N2 PtP 1 21/n 16.7739; 10.755; 17.312
90; 93.8; 90
1258.5Maheshwari, Vidhi; Carlone, Maria; Fronczek, Frank R.; Marzilli, Luigi G.
Ligand and coordination-plane distortions in platinum(II) complexes of isomers of dimethyl-2,2'-bipyridine
Acta Crystallographica Section B, 2007, 63, 603-611
2102880 CIF
Paper
C12 H12 Cl2 N2 PtC 1 2/c 113.162; 9.088; 12.125
90; 121.11; 90
1241.8Maheshwari, Vidhi; Carlone, Maria; Fronczek, Frank R.; Marzilli, Luigi G.
Ligand and coordination-plane distortions in platinum(II) complexes of isomers of dimethyl-2,2'-bipyridine
Acta Crystallographica Section B, 2007, 63, 603-611
2102881 CIF
Paper
C14 H15 Cl2 N3 PtP -18.1049; 8.7028; 12.005
73.863; 73.919; 77.132
771.78Maheshwari, Vidhi; Carlone, Maria; Fronczek, Frank R.; Marzilli, Luigi G.
Ligand and coordination-plane distortions in platinum(II) complexes of isomers of dimethyl-2,2'-bipyridine
Acta Crystallographica Section B, 2007, 63, 603-611
2102882 CIF
Paper
C36 H36 B2 F8 N6 PtP -17.3395; 10.58; 12.093
70.602; 87.384; 79.978
872.1Maheshwari, Vidhi; Carlone, Maria; Fronczek, Frank R.; Marzilli, Luigi G.
Ligand and coordination-plane distortions in platinum(II) complexes of isomers of dimethyl-2,2'-bipyridine
Acta Crystallographica Section B, 2007, 63, 603-611
2102883 CIF
HKL
Paper
C12 H9 Br2 N O2 SR -3 :H27.3197; 27.3197; 9.2582
90; 90; 120
5984.2Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102884 CIF
HKL
Paper
C13 H9 Br F3 N O2 SR -3 :H28.022; 28.022; 9.5386
90; 90; 120
6486.5Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102885 CIF
HKL
Paper
C12 H9 Br I N O2 SR -3 :H28.134; 28.134; 9.024
90; 90; 120
6185.8Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102886 CIF
HKL
Paper
C12 H9 Br Cl N O2 SR -3 :H27.045; 27.045; 9.1556
90; 90; 120
5799.5Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102887 CIF
HKL
Paper
C14 H10 Cl N O2 SR -3 :H27.3848; 27.3848; 9.2241
90; 90; 120
5990.6Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102888 CIF
HKL
Paper
C13 H9 Cl F3 N O2 SR -3 :H27.805; 27.805; 9.4583
90; 90; 120
6332.7Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102889 CIF
HKL
Paper
C12 H9 Cl1.8 F0.2 N O2 SR -3 :H26.4119; 26.4119; 9.3936
90; 90; 120
5674.9Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102890 CIF
HKL
Paper
C12 H9 Cl I N O2 SR -3 :H27.812; 27.812; 9.0055
90; 90; 120
6032.6Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102891 CIF
HKL
Paper
C13 H9 Br N2 O2 SR -3 :H27.0722; 27.0722; 9.4838
90; 90; 120
6019.5Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102892 CIF
HKL
Paper
C14 H9 F3 N2 O2 SR -3 :H27.6017; 27.6017; 9.4505
90; 90; 120
6235.3Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102893 CIF
HKL
Paper
C13 H9 Cl N2 O2 SR -3 :H26.8055; 26.8055; 9.5489
90; 90; 120
5942Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102894 CIF
HKL
Paper
C13 H9 I N2 O2 SR -3 :H27.4867; 27.4867; 9.3972
90; 90; 120
6148.6Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102895 CIF
HKL
Paper
C14 H12 N2 O2 SR -3 :H26.9964; 26.9964; 9.5869
90; 90; 120
6050.9Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102896 CIF
HKL
Paper
C12 H9 Br F N O2 SR -3 :H26.5333; 26.5333; 9.2014
90; 90; 120
5610.1Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102897 CIF
HKL
Paper
C13 H9 F4 N O2 SR -3 :H27.4403; 27.4403; 9.5034
90; 90; 120
6197.1Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102898 CIF
HKL
Paper
C12 H9 Cl F N O2 SR -3 :H25.9241; 25.9241; 9.3533
90; 90; 120
5443.8Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102899 CIF
HKL
Paper
C12 H9 F2 N O2 SR -3 :H24.9922; 24.9922; 9.5804
90; 90; 120
5182.3Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102900 CIF
HKL
Paper
C12 H9 F I N O2 SR -3 :H27.3131; 27.3131; 9.1331
90; 90; 120
5900.5Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102901 CIF
HKL
Paper
C13 H12 Br N O2 SR -3 :H27.1912; 27.1912; 9.4503
90; 90; 120
6051.1Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102902 CIF
HKL
Paper
C14 H12 F3 N O2 SR -3 :H27.7243; 27.7243; 9.8101
90; 90; 120
6530.2Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102903 CIF
HKL
Paper
C13 H12 Cl N O2 SR -3 :H26.7454; 26.7454; 9.5265
90; 90; 120
5901.5Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102904 CIF
HKL
Paper
C13 H12 I N O2 SR -3 :H27.7443; 27.7443; 9.3639
90; 90; 120
6242.2Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102905 CIF
HKL
Paper
C13 H12 I N O3 SR -3 :H27.3759; 27.3759; 9.9002
90; 90; 120
6425.6Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102906 CIF
HKL
Paper
C12 H9 Cl2 N O2 SR -3 :H26.5773; 26.5773; 9.3206
90; 90; 120
5701.6Gelbrich, Thomas; Hursthouse, Michael B.; Threlfall, Terence L.
Structural systematics of 4,4'-disubstituted benzenesulfonamidobenzenes. 1. Overview and dimer-based isostructures
Acta Crystallographica Section B, 2007, 63, 621-632
2102907 CIF
Paper
Ba7 Br Co6 O17P 63/m m c5.6611; 5.6611; 33.5672
90; 90; 120
931.64Kauffmann, Matthieu; Roussel, Pascal
New oxybromide cobaltites with layered perovskite-related structures: 18<i>R</i>-Ba~6~Co~5~BrO~14~ and 14<i>H</i>-Ba~7~Co~6~BrO~17~
Acta Crystallographica Section B, 2007, 63, 589-596
2102908 CIF
Paper
Ba6 Br Co5 O14R -3 m :H5.6578; 5.6578; 43.166
90; 90; 120
1196.65Kauffmann, Matthieu; Roussel, Pascal
New oxybromide cobaltites with layered perovskite-related structures: 18<i>R</i>-Ba~6~Co~5~BrO~14~ and 14<i>H</i>-Ba~7~Co~6~BrO~17~
Acta Crystallographica Section B, 2007, 63, 589-596
2102909 CIF
Paper
Bi Fe O3R 3 c :H5.57882; 5.57882; 13.86932
90; 90; 120
373.827Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 537-544
2102910 CIF
Paper
Bi Fe O3R 3 c :H5.58829; 5.58829; 13.904
90; 90; 120
376.035Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 537-544
2102911 CIF
Paper
Bi Fe O3R 3 c :H5.58986; 5.58986; 13.90943
90; 90; 120
376.393Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 537-544
2102912 CIF
Paper
Bi Fe O3R 3 c :H5.59227; 5.59227; 13.91782
90; 90; 120
376.945Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 537-544
2102913 CIF
Paper
Bi Fe O3R 3 c :H5.59771; 5.59771; 13.93538
90; 90; 120
378.155Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 537-544
2102914 CIF
Paper
Bi Fe O3R 3 c :H5.59922; 5.59922; 13.94046
90; 90; 120
378.497Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 537-544
2102915 CIF
Paper
Bi Fe O3R 3 c :H5.60065; 5.60065; 13.94476
90; 90; 120
378.807Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 537-544
2102916 CIF
Paper
Bi Fe O3R 3 c :H5.60456; 5.60456; 13.9557
90; 90; 120
379.634Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 537-544
2102917 CIF
Paper
Bi Fe O3R 3 c :H5.61135; 5.61135; 13.9708
90; 90; 120
380.966Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 537-544
2102918 CIF
Paper
Bi Fe O3R 3 c :H5.61853; 5.61853; 13.9824
90; 90; 120
382.259Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan
Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 537-544
2102919 CIF
HKL
Paper
Ge Na O5 TaP 1 21/c 16.838; 8.93; 7.414
90; 114.8; 90
410.97Malcherek, Thomas
A structural phase transition in NaTaOGeO~4~ and its relation to phase transitions in titanite
Acta Crystallographica Section B, 2007, 63, 545-550
2102920 CIF
HKL
Paper
Ge Na O5 TaC 1 2/c 16.854; 8.933; 7.418
90; 114.858; 90
412.1Malcherek, Thomas
A structural phase transition in NaTaOGeO~4~ and its relation to phase transitions in titanite
Acta Crystallographica Section B, 2007, 63, 545-550
2102921 CIF
Paper
B2 H8 MgP 6110.3414; 10.3414; 37.086
90; 90; 120
3434.8Jae-Hyuk Her; Peter W. Stephens; Yan Gao; Grigorii L. Soloveichik; Job Rijssenbeek; Matthew Andrus; Ji-Cheng Zhao
Structure of unsolvated magnesium borohydride Mg(BH~4~)~2~
Acta Crystallographica Section B, 2007, 63, 561-568
2102922 CIF
Paper
B2 H8 MgF d d d :137.072; 18.6476; 10.9123
90; 90; 90
7543.7Jae-Hyuk Her; Peter W. Stephens; Yan Gao; Grigorii L. Soloveichik; Job Rijssenbeek; Matthew Andrus; Ji-Cheng Zhao
Structure of unsolvated magnesium borohydride Mg(BH~4~)~2~
Acta Crystallographica Section B, 2007, 63, 561-568
2102923 CIF
Paper
Ge6 La10 O27P -19.9346; 9.9132; 7.3021
90.96; 88.079; 120.89
616.78Pramana, S.S; Klooster, W.T; White, T.J
Framework `interstitial' oxygen in La~10~(GeO~4~)~5~(GeO~5~)O~2~ apatite electrolyte
Acta Crystallographica Section B, 2007, 63, 597-602
2102924 CIF
Paper
Al11 Co6 Si6P n m a21.3536; 4.042; 7.2723
90; 90; 90
627.68Richter, Klaus W.; Prots, Yurii; Borrmann, Horst; Ramlau, Reiner; Grin, Yuri
Crystal structure and local order in Co~6~Al~11{-~<i>x</i>}Si~6+<i>x~</i>
Acta Crystallographica Section B, 2007, 63, 551-560
2102925 CIF
Paper
Al11 Co6 Si6C m c 218.0839; 14.5445; 21.3536
90; 90; 90
2510.7Richter, Klaus W.; Prots, Yurii; Borrmann, Horst; Ramlau, Reiner; Grin, Yuri
Crystal structure and local order in Co~6~Al~11{-~<i>x</i>}Si~6+<i>x~</i>
Acta Crystallographica Section B, 2007, 63, 551-560
2102926 CIF
Paper
Al11 Co6 Si6P 1 21/c 18.0839; 21.3536; 8.32
90; 119.07; 90
1255.28Richter, Klaus W.; Prots, Yurii; Borrmann, Horst; Ramlau, Reiner; Grin, Yuri
Crystal structure and local order in Co~6~Al~11{-~<i>x</i>}Si~6+<i>x~</i>
Acta Crystallographica Section B, 2007, 63, 551-560
2102927 CIF
Paper
C4 Br4 SP c a 2112.6516; 4.0373; 16.3456
90; 90; 90
834.9Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René
Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing
Acta Crystallographica Section B, 2007, 63, 783-790
2102928 CIF
Paper
C4 Br4 SP c a 2112.6511; 4.0371; 16.3449
90; 90; 90
834.79Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René
Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing
Acta Crystallographica Section B, 2007, 63, 783-790
2102929 CIF
Paper
C4 Br4 SP c a 2112.6482; 4.0362; 16.3411
90; 90; 90
834.22Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René
Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing
Acta Crystallographica Section B, 2007, 63, 783-790
2102930 CIF
Paper
C4 Br4 SeP 1 21/c 114.86453; 4.078983; 13.90429
90; 96.3502; 90
837.875Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René
Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing
Acta Crystallographica Section B, 2007, 63, 783-790
2102931 CIF
Paper
C4 Br4 SP 1 n 112.419; 4.0397; 8.824
90; 109.181; 90
418.1Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René
Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing
Acta Crystallographica Section B, 2007, 63, 783-790
2102932 CIF
Paper
C4 Br4 SP c a 2112.643; 4.034; 16.35
90; 90; 90
833.8Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René
Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing
Acta Crystallographica Section B, 2007, 63, 783-790
2102933 CIF
Paper
C4 Br4 SP c a 2112.5599; 3.9973; 16.3267
90; 90; 90
819.69Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René
Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing
Acta Crystallographica Section B, 2007, 63, 783-790
2102934 CIF
Paper
C4 Br4 SP 1 n 112.376; 4.004; 8.816
90; 109.452; 90
411.9Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René
Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing
Acta Crystallographica Section B, 2007, 63, 783-790
2102935 CIF
Paper
Ag18.56 Li33.44I -4 3 m9.6066; 9.6066; 9.6066
90; 90; 90
886.56Tatsuo, Noritake; Masakazu, Aoki; Shin-ich, Towata; Tsunehiro, Takeuchi; Uichiro, Mizutani
Structure determination of structurally complex Ag~36~Li~64~ gamma-brass
Acta Crystallographica Section B, 2007, 63, 726-734
2102936 CIF
Paper
Fe O2 RbP b c a5.7568; 11.5136; 16.2827
90; 90; 90
1079.2Nuss, Jürgen; Ali, Naveed Zafar; Jansen, Martin
Structure of RbFeO~2~, refined from a reticular pseudomerohedrally twinned crystal with six domains
Acta Crystallographica Section B, 2007, 63, 719-725
2102937 CIF
Paper
C8 H24 I4 N2 PbP b c a8.428; 8.986; 26.233
90; 90; 90
1986.7Billing, David G.; Lemmerer, Andreas
Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6
Acta Crystallographica Section B, 2007, 63, 735-747
2102938 CIF
Paper
C8 H24 I4 N2 PbP b c a8.8764; 8.6925; 27.6014
90; 90; 90
2129.67Billing, David G.; Lemmerer, Andreas
Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6
Acta Crystallographica Section B, 2007, 63, 735-747
2102939 CIF
Paper
C10 H28 I4 N2 PbP 1 21/a 18.4716; 9.007; 14.784
90; 100.881; 90
1107.8Billing, David G.; Lemmerer, Andreas
Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6
Acta Crystallographica Section B, 2007, 63, 735-747
2102940 CIF
Paper
C10 H28 I4 N2 PbP 1 21/a 18.6716; 8.9297; 14.8805
90; 100.212; 90
1134.01Billing, David G.; Lemmerer, Andreas
Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6
Acta Crystallographica Section B, 2007, 63, 735-747
2102941 CIF
Paper
C10 H28 I4 N2 PbP b c a9.0078; 8.731; 29.956
90; 90; 90
2356Billing, David G.; Lemmerer, Andreas
Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6
Acta Crystallographica Section B, 2007, 63, 735-747
2102942 CIF
Paper
C12 H32 I4 N2 PbP 1 21/a 18.643; 8.845; 16.052
90; 91.985; 90
1226.4Billing, David G.; Lemmerer, Andreas
Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6
Acta Crystallographica Section B, 2007, 63, 735-747
2102943 CIF
Paper
C12 H32 I4 N2 PbP b c a8.9413; 8.6874; 32.7027
90; 90; 90
2540.24Billing, David G.; Lemmerer, Andreas
Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6
Acta Crystallographica Section B, 2007, 63, 735-747
2102944 CIF
Paper
Fe0.91 S(000 ???6.892; 11.952; 5.744
90; 90; 90
473.15Izaola, Zunbeltz; González, Santiago; Elcoro, Luis; Perez-Mato, J. M.; Madariaga, Gotzon; García, Alberto
Revision of pyrrhotite structures within a common superspace model
Acta Crystallographica Section B, 2007, 63, 693-702
2102945 CIF
Paper
O3 Pb Ti0.35 Zr0.65R 3 c :H5.7779174; 5.7779174; 14.2692051
90; 90; 120
412.547Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A.
X-ray powder difraction structural characterization of Pb(1-x)Ba(x)Zr(0.65)Ti(0.35)O3 ceramic.
Acta Crystallographica, Section B, 2007, 63, 713-718
2102946 CIF
Paper
O3 Pb Ti0.35 Zr0.65P m -3 m4.09836; 4.09836; 4.09836
90; 90; 90
68.8383Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A.
X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic
Acta Crystallographica Section B, 2007, 63, 713-718
2102947 CIF
Paper
Ba0.1 O3 Pb0.9 Ti0.35 Zr0.65R 3 c :H5.78826; 5.78826; 14.27227
90; 90; 120
414.114Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A.
X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic
Acta Crystallographica Section B, 2007, 63, 713-718
2102948 CIF
Paper
Ba0.1 O3 Pb0.9 Ti0.35 Zr0.65P m -3 m4.10755; 4.10755; 4.10755
90; 90; 90
69.3024Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A.
X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic
Acta Crystallographica Section B, 2007, 63, 713-718
2102949 CIF
Paper
Ba0.2 O3 Pb0.8 Ti0.35 Zr0.65R 3 c :H5.79776; 5.79776; 14.26758
90; 90; 120
415.338Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A.
X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic
Acta Crystallographica Section B, 2007, 63, 713-718
2102950 CIF
Paper
Ba0.2 O3 Pb0.8 Ti0.35 Zr0.65P m -3 m4.11161; 4.11161; 4.11161
90; 90; 90
69.5082Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A.
X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic
Acta Crystallographica Section B, 2007, 63, 713-718
2102951 CIF
Paper
Ba0.3 O3 Pb0.7 Ti0.35 Zr0.65P m -3 m4.11241; 4.11241; 4.11241
90; 90; 90
69.5487Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A.
X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic
Acta Crystallographica Section B, 2007, 63, 713-718
2102952 CIF
Paper
Ba0.4 O3 Pb0.6 Ti0.35 Zr0.65P m -3 m4.11604; 4.11604; 4.11604
90; 90; 90
69.7331Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A.
X-ray powder diffraction structural characterization of Pb~1{-~<i>x</i>}Ba~<i>x~</i>Zr~0.65~Ti~0.35~O~3~ ceramic
Acta Crystallographica Section B, 2007, 63, 713-718
2102953 CIF
HKL
Paper
B6 CeP m -3 m4.14586; 4.14586; 4.14586
90; 90; 90
71.26Ryoko, Makita; k̄iyoaki, Tanaka; Ōnuki, Yoshichika; H̄iroshi, Tatewaki
Inversion of 4<i>f</i>-states in CeB~6~ thermally excited at 430K
Acta Crystallographica Section B, 2007, 63, 683-692
2102954 CIF
HKL
Paper
C11 H21 N3 O5P 21 21 216.825; 9.042; 21.728
90; 90; 90
1340.9Kalinowski, Roman; Dittrich, Birger; Hübschle, Christian; Luger, Peter; Paulmann, Carsten
Experimental charge density of <small>L</small>-alanyl-<small>L</small>-prolyl-<small>L</small>-alanine hydrate: classical multipole and invariom approach, analysis of intra- and intermolecular topological properties
Acta Crystallographica Section B, 2007, 63, 753-767
2102955 CIF
Paper
Al14 Ca12 O33I -4 3 d11.9794; 11.9794; 11.9794
90; 90; 90
1719.12Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A.
Structure and oxygen mobility in mayenite (Ca~12~Al~14~O~33~): a high-temperature neutron powder diffraction study
Acta Crystallographica Section B, 2007, 63, 675-682
2102956 CIF
Paper
Al14 Ca12 O33I -4 3 d12.0308; 12.0308; 12.0308
90; 90; 90
1741.34Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A.
Structure and oxygen mobility in mayenite (Ca~12~Al~14~O~33~): a high-temperature neutron powder diffraction study
Acta Crystallographica Section B, 2007, 63, 675-682
2102957 CIF
Paper
Al14 Ca12 O33I -4 3 d12.0449; 12.0449; 12.0449
90; 90; 90
1747.47Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A.
Structure and oxygen mobility in mayenite (Ca~12~Al~14~O~33~): a high-temperature neutron powder diffraction study
Acta Crystallographica Section B, 2007, 63, 675-682
2102958 CIF
Paper
Al14 Ca12 O33I -4 3 d12.0585; 12.0585; 12.0585
90; 90; 90
1753.4Boysen, H.; Lerch, M.; Stys, A.; Senyshyn, A.
Structure and oxygen mobility in mayenite (Ca~12~Al~14~O~33~): a high-temperature neutron powder diffraction study
Acta Crystallographica Section B, 2007, 63, 675-682
2102959 CIF
Paper
C2 H2 Cl2 O2P 1 21/n 14.914; 11.384; 8.418
90; 93.45; 90
470.1Roman Gajda; Andrzej Katrusiak
Compressed hydrogen-bond effects in the pressure-frozen chloroacetic acid
Acta Crystallographica Section B, 2007, 63, 896-902
2102960 CIF
HKL
Paper
C2 H2 Cl2 O2P 1 21/n 14.6404; 11.134; 8.299
90; 92.89; 90
428.2Roman Gajda; Andrzej Katrusiak
Compressed hydrogen-bond effects in the pressure-frozen chloroacetic acid
Acta Crystallographica Section B, 2007, 63, 896-902
2102961 CIF
Paper
C2 H2 Cl2 O2P 1 21/n 14.6589; 11.174; 8.2013
90; 92.88; 90
426.41Roman Gajda; Andrzej Katrusiak
Compressed hydrogen-bond effects in the pressure-frozen chloroacetic acid
Acta Crystallographica Section B, 2007, 63, 896-902
2102962 CIF
HKL
Paper
C2 H2 Cl2 O2P 1 21/n 14.563; 10.978; 8.087
90; 92.6; 90
404.7Roman Gajda; Andrzej Katrusiak
Compressed hydrogen-bond effects in the pressure-frozen chloroacetic acid
Acta Crystallographica Section B, 2007, 63, 896-902
2102963 CIF
Paper
C20 H12 N2 O2P 1 21/c 16.6661; 3.868; 27.386
90; 100.58; 90
694.13Buchsbaum, Christian; Schmidt, Martin U.
Rietveld refinement of a wrong crystal structure
Acta Crystallographica Section B, 2007, 63, 926-932
2102964 CIF
HKL
Paper
C H2 Br ClC 1 2/c 111.959; 4.4531; 14.873
90; 112.96; 90
729.3Podsiadło, Marcin; Katrusiak, Andrzej
Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl
Acta Crystallographica Section B, 2007, 63, 903-911
2102965 CIF
HKL
Paper
C H2 Br ClC 1 2/c 111.874; 4.4224; 14.582
90; 112.04; 90
709.8Podsiadło, Marcin; Katrusiak, Andrzej
Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl
Acta Crystallographica Section B, 2007, 63, 903-911
2102966 CIF
HKL
Paper
C H2 Br ClP b c n4.1126; 8.0685; 9.755
90; 90; 90
323.7Podsiadło, Marcin; Katrusiak, Andrzej
Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl
Acta Crystallographica Section B, 2007, 63, 903-911
2102967 CIF
HKL
Paper
C H2 Br ClP b c n3.9929; 7.9351; 9.6808
90; 90; 90
306.73Podsiadło, Marcin; Katrusiak, Andrzej
Isobaric and isochoric freezing of CH~2~BrCl and isostructural relations between CH~2~Cl~2~, CH~2~Br~2~ and CH~2~BrCl
Acta Crystallographica Section B, 2007, 63, 903-911
2102968 CIF
Paper
C24 H31 N O3P 21 21 216.7448; 11.849; 26.976
90; 90; 90
2155.9Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R.
Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes
Acta Crystallographica Section B, 2007, 63, 933-940
2102969 CIF
HKL
Paper
C24 H31 N O3P 21 21 216.7891; 11.852; 26.822
90; 90; 90
2158.2Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R.
Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes
Acta Crystallographica Section B, 2007, 63, 933-940
2102970 CIF
HKL
Paper
C24 H31 N O3P 21 21 216.832; 11.897; 26.609
90; 90; 90
2162.8Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R.
Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes
Acta Crystallographica Section B, 2007, 63, 933-940
2102971 CIF
HKL
Paper
C24 H31 N O3P 21 21 216.8632; 11.9445; 26.305
90; 90; 90
2156.4Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R.
Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes
Acta Crystallographica Section B, 2007, 63, 933-940
2102972 CIF
HKL
Paper
C24 H31 N O3P 21 21 216.8834; 12.0641; 25.924
90; 90; 90
2152.8Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R.
Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes
Acta Crystallographica Section B, 2007, 63, 933-940
2102973 CIF
Paper
C13 H11 N3 OP b c a7.1927; 21.2168; 28.6771
90; 90; 90
4376.3Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher
Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers
Acta Crystallographica Section B, 2007, 63, 879-895
2102974 CIF
Paper
C13 H10 F N3 OP -17.4815; 11.1344; 14.5365
90.663; 104.903; 109.268
1098.45Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher
Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers
Acta Crystallographica Section B, 2007, 63, 879-895
2102975 CIF
Paper
C13 H10 F N3 OP b c a13.191; 18.8057; 18.2843
90; 90; 90
4535.7Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher
Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers
Acta Crystallographica Section B, 2007, 63, 879-895

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