Crystallography Open Database

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2102155 CIF
HKL
Paper
C9 H8 N2 O6 S2P -18.1655; 8.2415; 9.3887
72.1417; 83.3965; 80.332
591.48Glidewell, 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
2102156 CIF
HKL
Paper
C12 H8 N2 O4 S2P 1 21/c 17.1028; 22.925; 7.7769
90; 95.536; 90
1260.4Glidewell, 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
2102157 CIF
HKL
Paper
C14 H6 F6 N2 O4 S2P 1 21/c 114.1617; 5.3367; 22.6233
90; 91.7376; 90
1709.01Glidewell, 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
2102158 CIF
HKL
Paper
C12 H8 N2 O6 S2P -18.8211; 11.042; 21.258
101.06; 91.97; 91.07
2030.3Glidewell, 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
2102159 CIF
Paper
As O5 Rb TiP n a 2113.2352; 6.6666; 10.7483
90; 90; 90
948.36Streltsov, Victor A.; Nordborg, Jenni; Albertsson, Jörgen
Synchrotron X-ray analysis of RbTiOAsO~4~
Acta Crystallographica Section B, 2000, 56, 785-792
2102160 CIF
Paper
Ca1.74 Co O7 Si2 Sr0.26P -4 21 m7.8743; 7.8743; 5.0417
90; 90; 90
312.61Bagautdinov, B.; Hagiya, K.; Kusaka, K.; Ohmasa, M.; Iishi, K.
Two-dimensional incommensurately modulated structure of (Sr~0.13~Ca~0.87~)~2~CoSi~2~O~7~ crystals
Acta Crystallographica Section B, 2000, 56, 811-821
2102161 CIF
Paper
C4 H4 O12 Y2C 2 2 217.8177; 14.943; 9.4845
90; 90; 90
1108Bataille, Thierry; Louër, Daniel
Powder and single-crystal X-ray diffraction study of the structure of [Y(H~2~O)]~2~(C~2~O~4~)(CO~3~)~2~
Acta Crystallographica Section B, 2000, 56, 998-1002
2102162 CIF
Paper
C4 H4 O12 Y2C 2 2 217.8198; 14.949; 9.4908
90; 90; 90
1109.46Bataille, Thierry; Louër, Daniel
Powder and single-crystal X-ray diffraction study of the structure of [Y(H~2~O)]~2~(C~2~O~4~)(CO~3~)~2~
Acta Crystallographica Section B, 2000, 56, 998-1002
2102163 CIF
Paper
C78 H18 O6R -3 m :H16.212; 16.212; 13.873
90; 90; 120
3157.7Blanc, Eric; Restori, Renzo; Schwarzenbach, Dieter; Bürgi, Hans-Beat; Förtsch, Marcel; Venugopalan, Paloth; Ermer, Otto
Orientational disorder as a function of temperature in the clathrate structure of hydroquinone and C~60~
Acta Crystallographica Section B, 2000, 56, 1003-1010
2102164 CIF
Paper
C78 H18 O6R -3 m :H16.177; 16.177; 13.813
90; 90; 120
3130.5Blanc, Eric; Restori, Renzo; Schwarzenbach, Dieter; Bürgi, Hans-Beat; Förtsch, Marcel; Venugopalan, Paloth; Ermer, Otto
Orientational disorder as a function of temperature in the clathrate structure of hydroquinone and C~60~
Acta Crystallographica Section B, 2000, 56, 1003-1010
2102165 CIF
Paper
C78 H18 O6R -3 m :H16.152; 16.152; 13.75
90; 90; 120
3106.6Blanc, Eric; Restori, Renzo; Schwarzenbach, Dieter; Bürgi, Hans-Beat; Förtsch, Marcel; Venugopalan, Paloth; Ermer, Otto
Orientational disorder as a function of temperature in the clathrate structure of hydroquinone and C~60~
Acta Crystallographica Section B, 2000, 56, 1003-1010
2102166 CIF
Paper
C78 H18 O6R -3 m :H16.119; 16.119; 13.687
90; 90; 120
3079.7Blanc, Eric; Restori, Renzo; Schwarzenbach, Dieter; Bürgi, Hans-Beat; Förtsch, Marcel; Venugopalan, Paloth; Ermer, Otto
Orientational disorder as a function of temperature in the clathrate structure of hydroquinone and C~60~
Acta Crystallographica Section B, 2000, 56, 1003-1010
2102167 CIF
HKL
Paper
C11 H8 S5P 1 21/a 111.929; 11.7639; 9.0612
90; 103.95; 90
1234.07Chohan, Zahid H.; Harrison, William T. A.; Howie, R. Alan; Milne, Bruce F.; Wardell, James L.
Crystallographic and molecular mechanics investigation of an order‒disorder transition and dimorphism in 5<i>H</i>,10<i>H</i>-dithiolo[2,3-<i>b</i>]-2,5-benzodithiocine-2-thione
Acta Crystallographica Section B, 2000, 56, 1011-1017
2102168 CIF
HKL
Paper
C11 H8 S5C 1 2/m 112.075; 11.825; 9.063
90; 102.8; 90
1261.9Chohan, Zahid H.; Harrison, William T. A.; Howie, R. Alan; Milne, Bruce F.; Wardell, James L.
Crystallographic and molecular mechanics investigation of an order‒disorder transition and dimorphism in 5<i>H</i>,10<i>H</i>-dithiolo[2,3-<i>b</i>]-2,5-benzodithiocine-2-thione
Acta Crystallographica Section B, 2000, 56, 1011-1017
2102169 CIF
Paper
C11 H8 S5P 1 21/n 18.5683; 16.208; 17.898
90; 97.1103; 90
2466.47Chohan, Zahid H.; Harrison, William T. A.; Howie, R. Alan; Milne, Bruce F.; Wardell, James L.
Crystallographic and molecular mechanics investigation of an order‒disorder transition and dimorphism in 5<i>H</i>,10<i>H</i>-dithiolo[2,3-<i>b</i>]-2,5-benzodithiocine-2-thione
Acta Crystallographica Section B, 2000, 56, 1011-1017
2102170 CIF
Paper
Hf0.01 O24 Si Zr0.99I 41/a m d :26.618; 6.618; 6.019
90; 90; 90
263.6Ríos, Susana; Malcherek, Thomas; Salje, Ekhard K. H.; Domeneghetti, Chiara
Localized defects in radiation-damaged zircon
Acta Crystallographica Section B, 2000, 56, 947-952
2102171 CIF
HKL
Paper
C17 H16 N4 O4P 1 21/n 114.111; 7.567; 15.338
90; 99.967; 90
1613Chisholm, Greig; Kennedy, Alan R.; Wilson, Sharon; Teat, Simon J.
Comparison of the structural motifs of acetoacetanilides and related azo pigments
Acta Crystallographica Section B, 2000, 56, 1046-1053
2102172 CIF
HKL
Paper
C12 H15 N O2P 1 21/m 18.8636; 6.605; 9.2381
90; 97.804; 90
535.8Chisholm, Greig; Kennedy, Alan R.; Wilson, Sharon; Teat, Simon J.
Comparison of the structural motifs of acetoacetanilides and related azo pigments
Acta Crystallographica Section B, 2000, 56, 1046-1053
2102173 CIF
HKL
Paper
C11 H13 N O2P b c a26.766; 9.3754; 8.1729
90; 90; 90
2050.9Chisholm, Greig; Kennedy, Alan R.; Wilson, Sharon; Teat, Simon J.
Comparison of the structural motifs of acetoacetanilides and related azo pigments
Acta Crystallographica Section B, 2000, 56, 1046-1053
2102174 CIF
HKL
Paper
C11 H13 N O2P 1 21/c 17.3247; 12.108; 10.7479
90; 99.357; 90
940.5Chisholm, Greig; Kennedy, Alan R.; Wilson, Sharon; Teat, Simon J.
Comparison of the structural motifs of acetoacetanilides and related azo pigments
Acta Crystallographica Section B, 2000, 56, 1046-1053
2102175 CIF
Paper
C10 H4 F4 O2P -18.9002; 9.2388; 9.6721
93.73; 98.73; 114.46
708.3Madhavi, N. N. L.; Desiraju, Gautam R.; Bilton, Claire; Howard, Judith A. K.; Allen, Frank H.
Crystal engineering in the <i>gem</i>-alkynol family: interplay between strong and weak interactions in structures of 2,3,5,6-tetrahalo[F,Cl,Br]-<i>trans</i>-1,4-diethynylcyclohexa-2,5-diene-1,4-diols
Acta Crystallographica Section B, 2000, 56, 1063-1070
2102176 CIF
Paper
C10 H4 Cl4 O2I 41/a :216.758; 16.758; 8.865
90; 90; 90
2489.6Madhavi, N. N. L.; Desiraju, Gautam R.; Bilton, Claire; Howard, Judith A. K.; Allen, Frank H.
Crystal engineering in the <i>gem</i>-alkynol family: interplay between strong and weak interactions in structures of 2,3,5,6-tetrahalo[F,Cl,Br]-<i>trans</i>-1,4-diethynylcyclohexa-2,5-diene-1,4-diols
Acta Crystallographica Section B, 2000, 56, 1063-1070
2102177 CIF
Paper
C10 H4 Br4 O2P -18.9147; 12.6402; 12.6547
85.738; 69.625; 72.72
1275.75Madhavi, N. N. L.; Desiraju, Gautam R.; Bilton, Claire; Howard, Judith A. K.; Allen, Frank H.
Crystal engineering in the <i>gem</i>-alkynol family: interplay between strong and weak interactions in structures of 2,3,5,6-tetrahalo[F,Cl,Br]-<i>trans</i>-1,4-diethynylcyclohexa-2,5-diene-1,4-diols
Acta Crystallographica Section B, 2000, 56, 1063-1070
2102178 CIF
Paper
C17 H16 OP -16.8286; 8.2407; 12.658
106.73; 98.71; 101.39
652Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Nangia, Ashwini; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C.
Crystal engineering in the <i>gem</i>-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O—H···O hydrogen bonds
Acta Crystallographica Section B, 2000, 56, 1071-1079
2102179 CIF
Paper
C15 H10 Cl2 OP -15.7082; 11.3645; 11.5167
117.268; 99.257; 96.726
639.735Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Nangia, Ashwini; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C.
Crystal engineering in the <i>gem</i>-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O—H···O hydrogen bonds
Acta Crystallographica Section B, 2000, 56, 1071-1079
2102180 CIF
Paper
C15 H10 Cl2 OP -15.728; 11.362; 11.521
117.24; 99.25; 96.86
641.866Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Nangia, Ashwini; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C.
Crystal engineering in the <i>gem</i>-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O—H···O hydrogen bonds
Acta Crystallographica Section B, 2000, 56, 1071-1079
2102181 CIF
Paper
C15 H10 Br2 OP -15.7906; 11.325; 11.907
115.67; 99.43; 97.91
674.9Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Nangia, Ashwini; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C.
Crystal engineering in the <i>gem</i>-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O—H···O hydrogen bonds
Acta Crystallographica Section B, 2000, 56, 1071-1079
2102182 CIF
Paper
C27 H20 OP -15.6413; 10.2599; 17.3238
100.45; 97.79; 95.477
969.51Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Nangia, Ashwini; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C.
Crystal engineering in the <i>gem</i>-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O—H···O hydrogen bonds
Acta Crystallographica Section B, 2000, 56, 1071-1079
2102183 CIF
Paper
C27 H15 Br3 Cl3 N3 O3P 6315.25; 15.25; 6.8149
90; 90; 120
1372.6Broder, Charlotte K.; Howard, Judith A. K.; Keen, David A.; Wilson, Chick C.; Allen, Frank H.; Jetti, Ram K. R.; Nangia, Ashwini; Desiraju, Gautam R.
Halogen trimer synthons in crystal engineering: low-temperature X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene
Acta Crystallographica Section B, 2000, 56, 1080-1084
2102184 CIF
Paper
C27 H15 Br3 Cl3 N3 O3P 6315.166; 15.166; 6.743
90; 90; 120
1343.2Broder, Charlotte K.; Howard, Judith A. K.; Keen, David A.; Wilson, Chick C.; Allen, Frank H.; Jetti, Ram K. R.; Nangia, Ashwini; Desiraju, Gautam R.
Halogen trimer synthons in crystal engineering: low-temperature X-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene
Acta Crystallographica Section B, 2000, 56, 1080-1084
2102185 CIF
Paper
Dy2 O7 Si2P -16.6158; 6.6604; 12.0551
94.373; 90.836; 91.512
529.39Fleet, Michael E.; Liu, Xiaoyang
Structure and complex twinning of dysprosium disilicate (Dy~2~Si~2~O~7~), Type B
Acta Crystallographica Section B, 2000, 56, 940-946
2102186 CIF
Paper
C12 H52 Cu4 N24 O10 S14P -111.079; 11.262; 12.195
64.843; 76.119; 66.059
1254.6Piro, O. E.; Piatti, R. C. V.; Bolzán, A. E.; Salvarezza, R. C.; Arvia, A. J.
X-ray diffraction study of copper(I) thiourea complexes formed in sulfate-containing acid solutions
Acta Crystallographica Section B, 2000, 56, 993-997
2102187 CIF
HKL
Paper
C13 H10 N4C 1 c 111.5945; 12.2912; 7.8944
90; 90.018; 90
1125.03Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R.
Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction
Acta Crystallographica Section B, 2000, 56, 1085-1093
2102188 CIF
HKL
Paper
C13 H10 N4C 1 c 111.5972; 12.2873; 7.8877
90; 90.021; 90
1123.98Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R.
Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction
Acta Crystallographica Section B, 2000, 56, 1085-1093
2102189 CIF
HKL
Paper
C13 H10 N4C 1 c 111.7304; 12.3278; 7.8844
90; 90.173; 90
1140.16Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R.
Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction
Acta Crystallographica Section B, 2000, 56, 1085-1093
2102190 CIF
HKL
Paper
C13 H10 N4C 1 c 111.8751; 12.3735; 7.8876
90; 90.412; 90
1158.95Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R.
Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction
Acta Crystallographica Section B, 2000, 56, 1085-1093
2102191 CIF
HKL
Paper
C13 H10 N4C 1 c 111.571; 12.258; 7.868
90; 90.11; 90
1116Cole, Jacqueline M.; Wilson, Chick C.; Howard, Judith A. K.; Cruickshank, Frank R.
Quantitative analysis of hydrogen bonding and atomic thermal motion in the organic non-linear optical material DCNP using X-ray and neutron diffraction
Acta Crystallographica Section B, 2000, 56, 1085-1093
2102192 CIF
Paper
Cu7 P Se6P n a 2114.3179; 7.1112; 10.1023
90; 90; 90
1028.59Gaudin, E.; Petricek, V.; Boucher, F.; 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. III. α-Cu~7~PSe~6~
Acta Crystallographica Section B, 2000, 56, 972-979
2102193 CIF
Paper
Cd2 O12 S3 Tl2P 1 1 2110.356; 10.35; 10.353
90; 90; 90.04
1109.7Guelylah, A.; Madariaga, G.; Morgenroth, W.; Aroyo, M. I.; Breczewski, T.; Bocanegra, E. H.
X-ray structure determination of the monoclinic (121K) and orthorhombic (85K) phases of langbeinite-type dithallium dicadmium sulfate
Acta Crystallographica Section B, 2000, 56, 921-935
2102194 CIF
HKL
Paper
Cd2 O12 S3 Tl2P 21 21 2110.327; 10.345; 10.406
90; 90; 90
1111.7Guelylah, A.; Madariaga, G.; Morgenroth, W.; Aroyo, M. I.; Breczewski, T.; Bocanegra, E. H.
X-ray structure determination of the monoclinic (121K) and orthorhombic (85K) phases of langbeinite-type dithallium dicadmium sulfate
Acta Crystallographica Section B, 2000, 56, 921-935
2102195 CIF
Paper
C30 H44 N8 O12P -18.7336; 10.9388; 11.0284
114.58; 91.966; 111.674
868.09Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Adducts of <i>meso</i> and racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane with trigonally trisubstituted benzene carboxylic acids: supramolecular structures in one and two dimensions
Acta Crystallographica Section B, 2000, 56, 1054-1062
2102196 CIF
Paper
C24 H44 N4 O6P 21 21 2111.876; 13.8395; 15.8571
90; 90; 90
2606.2Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Adducts of <i>meso</i> and racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane with trigonally trisubstituted benzene carboxylic acids: supramolecular structures in one and two dimensions
Acta Crystallographica Section B, 2000, 56, 1054-1062
2102197 CIF
Paper
C24 H44 N4 O6P 1 21/c 116.0262; 11.6461; 15.7907
90; 118.652; 90
2586.33Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Adducts of <i>meso</i> and racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane with trigonally trisubstituted benzene carboxylic acids: supramolecular structures in one and two dimensions
Acta Crystallographica Section B, 2000, 56, 1054-1062
2102198 CIF
Paper
C35 H66 O6I b a 257.368; 22.783; 5.6945
90; 90; 90
7442.8Van Langevelde, Arjen; Van Malssen, Kees; Driessen, René; Goubitz, Kees; Hollander, Frank; Peschar, René; Zwart, Peter; Schenk, Henk
Structure of C~<i>n~</i>C~<i>n~+2</i>C~<i>n~</i>-type (<i>n</i> = even) β'-triacylglycerols
Acta Crystallographica Section B, 2000, 56, 1103-1111
2102199 CIF
Paper
C47 H90 O6I b a 276.21; 22.63; 5.673
90; 90; 90
9784Van Langevelde, Arjen; Van Malssen, Kees; Driessen, René; Goubitz, Kees; Hollander, Frank; Peschar, René; Zwart, Peter; Schenk, Henk
Structure of C~<i>n~</i>C~<i>n~+2</i>C~<i>n~</i>-type (<i>n</i> = even) β'-triacylglycerols
Acta Crystallographica Section B, 2000, 56, 1103-1111
2102200 CIF
HKL
Paper
Ca2 H8 O11 P2P 1 21/c 112.287; 7.511; 10.775
90; 112.542; 90
918.4Balić-Zunić, Tonci; Christoffersen, Margaret R.; Christoffersen, Jørgen
Structure of the β form of calcium pyrophosphate tetrahydrate
Acta Crystallographica Section B, 2000, 56, 953-958
2102201 CIF
HKL
Paper
C13 H14 O5 S SeP 1 21/c 15.8838; 16.0925; 14.929
90; 95.547; 90
1406.9Sørensen, Henning Osholm; Stuhr-Hansen, Nicolai; Henriksen, Lars; Larsen, Sine
Structural characterization of protonated benzeneseleninic acid, the dihydroxyselenonium ion
Acta Crystallographica Section B, 2000, 56, 1029-1034
2102202 CIF
HKL
Paper
C12 H12 O5 S SeF d d 240.641; 22.268; 5.7881
90; 90; 90
5238.2Sørensen, Henning Osholm; Stuhr-Hansen, Nicolai; Henriksen, Lars; Larsen, Sine
Structural characterization of protonated benzeneseleninic acid, the dihydroxyselenonium ion
Acta Crystallographica Section B, 2000, 56, 1029-1034
2102203 CIF
HKL
Paper
Cr0.05 K0.87 O5 P Sr0.06 Ti0.95P n a 2112.786; 6.3927; 10.5585
90; 90; 90
863.02Norberg, Stefan T.; Streltsov, Victor A.; Svensson, Göran; Albertsson, Jörgen
Dopant positions in strontium/chromium- and barium-doped KTP, determined with synchrotron X-radiation
Acta Crystallographica Section B, 2000, 56, 980-987
2102204 CIF
Paper
Ba0.06 K0.88 O5 P TiP n a 2112.851; 6.418; 10.62
90; 90; 90
875.9Norberg, Stefan T.; Streltsov, Victor A.; Svensson, Göran; Albertsson, Jörgen
Dopant positions in strontium/chromium- and barium-doped KTP, determined with synchrotron X-radiation
Acta Crystallographica Section B, 2000, 56, 980-987
2102205 CIF
HKL
Paper
C20 H23 N O2P -17.5866; 8.9294; 13.4851
95.762; 106.263; 101.386
847.87Görbitz, Carl Henrik; Hersleth, Hans-Petter
Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example
Acta Crystallographica Section B, 2000, 56, 1094-1102
2102206 CIF
Paper
C20 H26 O3 SP -17.8841; 9.1401; 13.6505
90.975; 105.924; 100.892
926.41Görbitz, Carl Henrik; Hersleth, Hans-Petter
Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example
Acta Crystallographica Section B, 2000, 56, 1094-1102
2102207 CIF
Paper
C21 H27 N O3P -17.6393; 9.9833; 13.3161
91.883; 104.036; 104.311
950Görbitz, Carl Henrik; Hersleth, Hans-Petter
Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example
Acta Crystallographica Section B, 2000, 56, 1094-1102
2102208 CIF
Paper
C21 H26 O3P -19.6266; 13.662; 15.365
69.979; 77.853; 83.927
1854.9Görbitz, Carl Henrik; Hersleth, Hans-Petter
Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example
Acta Crystallographica Section B, 2000, 56, 1094-1102
2102209 CIF
Paper
C21 H28 O3P 1 21/c 15.6981; 21.1274; 16.0891
90; 90.914; 90
1936.66Görbitz, Carl Henrik; Hersleth, Hans-Petter
Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example
Acta Crystallographica Section B, 2000, 56, 1094-1102
2102210 CIF
Paper
C34 H60 O6P -16.2717; 7.433; 20.364
85.14; 85.031; 82.626
935.32Görbitz, Carl Henrik; Hersleth, Hans-Petter
Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example
Acta Crystallographica Section B, 2000, 56, 1094-1102
2102211 CIF
Paper
C20 H30 O5P -17.7092; 8.932; 15.3466
93.797; 100.629; 98.866
1021.32Görbitz, Carl Henrik; Hersleth, Hans-Petter
Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example
Acta Crystallographica Section B, 2000, 56, 1094-1102
2102212 CIF
Paper
C21 H32 O5P -17.7102; 8.9295; 15.4299
94.337; 100.071; 98.291
1029.46Görbitz, Carl Henrik; Hersleth, Hans-Petter
Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example
Acta Crystallographica Section B, 2000, 56, 1094-1102
2102213 CIF
Paper
C19 H25.58 O3.79P -17.5712; 9.1543; 13.5964
73.691; 75.46; 80.517
870.95Görbitz, Carl Henrik; Hersleth, Hans-Petter
Selective solvent inclusion as a tool for mapping molecular properties in crystal structures: a diethylstilbestrol example
Acta Crystallographica Section B, 2000, 56, 1094-1102
2102214 CIF
Paper
D K SR -3 m :H4.988; 4.988; 9.997
90; 90; 120
215.4Haarmann, Frank; Jacobs, Herbert; Reehuis, Manfred; Loose, Anja
Anharmonicity of potentials of atoms in potassium hydrogensulfide (KDS) determined by neutron single-crystal diffraction
Acta Crystallographica Section B, 2000, 56, 988-992
2105357 CIFAg2 O3 SnP 21 21 2129.21999; 12.67; 5.62
90; 90; 90
2080.62Carlsson, A.; Linke, C.; Svensson, C.; Bovin, J.O.; Oku, T.; Wallenberg, L.R.; Jansen, M.
Modulated structure of Ag2 Sn O3 studied by high-resolution electron microscopy
Acta Crystallographica B (39,1983-), 2000, 56, 363-368
2106073 CIFBi0.868 O2 SrI 1 2/a 14.905; 5.112; 29.857
90; 93.45; 90
747.288Leligny, H.; Grebille, D.; Perez, O.; Masset, A.C.; Hervieu, M.; Raveau, B.
A five-dimensional structural investigation of the misfit layer compound (Bi0.87 Sr O2)2 (Co O2)1.82
Acta Crystallographica B (39,1983-), 2000, 56, 173-182
6000092 CIFCo O6 Pb2 WI2/m7.9602; 5.6779; 5.6967
90; 90.047; 90
257.47Baldinozzi, G.; Calvarin, G.; Sciau, P.; Grebille, D.; Suard, E.
Neutron Rietveld refinement of the incommensurate phase of the ordered perovskite Pb2CoWO6
Acta Crystallographica B, 2000, 56, 570-576
9007697 CIFCu6 O8 PbF m -3 m9.314; 9.314; 9.314
90; 90; 90
807.995Winkler, B.; Chall, M.; Pickard, C. J.; Milman, V.; White, J.
Structure of Cu6PbO8 Note: these are model structure derived from quantum calculations This model appears to be the stable phase at ambient conditions
Acta Crystallographica, Section B, 2000, 56, 22-26
9007698 CIFCu6 O8 PbF m -3 m8.623; 8.623; 8.623
90; 90; 90
641.173Winkler, B.; Chall, M.; Pickard, C. J.; Milman, V.; White, J.
Structure of Cu6PbO8 Note: these are model structure derived from quantum calculations This model appears to be the stable phase at high pressure
Acta Crystallographica, Section B, 2000, 56, 22-26
9011298 CIFH34 O40 U8P b c n14.6861; 13.9799; 16.7063
90; 90; 90
3429.97Weller, M. T.; Light, M. E.; Gelbrich, T.
Structure of uranium (VI) oxide dihydrate UO3*2H2O; synthetic meta-schoepite (UO2)4O(OH)6*5H2O Sample: T = 150 K
Acta Crystallographica, Section B, 2000, 56, 577-583
9011299 CIFAl3 H21.52 N2.38 Na0.26 O20.64 Si5P 1 21/m 110.0507; 14.2016; 8.7281
90; 125.123; 90
1018.97Gualtieri, A. F.
Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 1
Acta Crystallographica, Section B, 2000, 56, 584-593
9011300 CIFAl2.2 H20.08 N2.02 Na0.2 O20.74 Si5.8P 1 21/m 110.0122; 14.1943; 8.7284
90; 125.024; 90
1015.82Gualtieri, A. F.
Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 2
Acta Crystallographica, Section B, 2000, 56, 584-593
9011301 CIFAl1.9 H18.8 N1.7 Na0.2 O21.18 Si6.1P 1 21/m 19.9596; 14.2015; 8.7051
90; 124.99; 90
1008.71Gualtieri, A. F.
Study of NH4+ in the zeolite phillipsite by combined synchrotron powder diffraction and IR spectroscopy Sample: 3
Acta Crystallographica, Section B, 2000, 56, 584-593

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