Crystallography Open Database

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2103848 CIF
HKL
Paper
C14 H26 N2 O4P 21 21 219.1277; 7.5743; 10.692
90; 90; 90
1549Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
(1<i>R</i>,3<i>S</i>)-Camphoric acid as a building block in supramolecular chemistry: adducts with organic polyamines
Acta Crystallographica Section B, 2003, 59, 118-131
2103849 CIF
HKL
Paper
C36 H66 N2 O14P 21 21 213.573; 22.05; 6.8417
90; 90; 90
2047.62Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
(1<i>R</i>,3<i>S</i>)-Camphoric acid as a building block in supramolecular chemistry: adducts with organic polyamines
Acta Crystallographica Section B, 2003, 59, 118-131
2103850 CIF
Paper
C13 H36 Si4P 1 1 21/n17.317; 15.598; 16.385
90; 90; 109.477
4172.5Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan; Bernatowicz, Piotr; van Smaalen, Sander
Influence of the molecular structures on the high-pressure and low-temperature phase transitions of plastic crystals
Acta Crystallographica Section B, 2003, 59, 60-71
2103851 CIF
Paper
C14 H36 Si3P 1 1 21/n17.0089; 15.3159; 15.9325
90; 90; 110.343
3891.6Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan; Bernatowicz, Piotr; van Smaalen, Sander
Influence of the molecular structures on the high-pressure and low-temperature phase transitions of plastic crystals
Acta Crystallographica Section B, 2003, 59, 60-71
2103852 CIF
Paper
C13 H36 Si4F m -3 m13.2645; 13.2645; 13.2645
90; 90; 90
2333.85Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan; Bernatowicz, Piotr; van Smaalen, Sander
Influence of the molecular structures on the high-pressure and low-temperature phase transitions of plastic crystals
Acta Crystallographica Section B, 2003, 59, 60-71
2103853 CIF
Paper
C11 H10 O3P 21 21 225.51; 5.2248; 7.6494
90; 90; 90
1019.5Sørensen, Henning Osholm; Larsen, Sine
Hydrogen bonding in enantiomeric <i>versus</i> racemic mono-carboxylic acids; a case study of 2-phenoxypropionic acid
Acta Crystallographica Section B, 2003, 59, 132-140
2103854 CIF
Paper
C9 H10 O3P 1 21 18.5312; 4.8321; 10.125
90; 92.031; 90
417.13Sørensen, Henning Osholm; Larsen, Sine
Hydrogen bonding in enantiomeric <i>versus</i> racemic mono-carboxylic acids; a case study of 2-phenoxypropionic acid
Acta Crystallographica Section B, 2003, 59, 132-140
2103855 CIF
Paper
C9 H10 O3C 1 2/c 128.781; 5.2554; 10.9534
90; 97.816; 90
1641.4Sørensen, Henning Osholm; Larsen, Sine
Hydrogen bonding in enantiomeric <i>versus</i> racemic mono-carboxylic acids; a case study of 2-phenoxypropionic acid
Acta Crystallographica Section B, 2003, 59, 132-140
2103856 CIF
Paper
Ba0.39 Nb2 O6 Sr0.61X4bm12.4566; 12.4566; 7.8698
90; 90; 90
1221.13Woike, Theo; Petříček, Václav; Dušek, Michal; Hansen, Niels K.; Fertey, Pierre; Lecomte, Claude; Arakcheeva, Alla; Chapuis, Gervais; Imlau, Mirco; Pankrath, Rainer
The modulated structure of Ba~0.39~Sr~0.61~Nb~2~O~6~. I. Harmonic solution
Acta Crystallographica Section B, 2003, 59, 28-35
2103857 CIF
Paper
In K3 O8 P215.6537; 9.7357; 11.1975
90; 90; 90.124
1706.49Arakcheeva, Alla; Chapuis, Gervais; Petříček, Vaclav; Dušek, Michal; Schönleber, Andreas
The incommensurate structure of K~3~In(PO~4~)~2~
Acta Crystallographica Section B, 2003, 59, 17-27
2103858 CIF
HKL
Paper
C30 H34 N4 O10 P2P 1 21/c 110.16; 10.4061; 14.5441
90; 96.288; 90
1528.44Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Phosphonopropionic acid as a building block in supramolecular chemistry: salts with organic diamines
Acta Crystallographica Section B, 2003, 59, 248-262
2103859 CIF
HKL
Paper
C13 H18 N3 O6 PF m m 218.7267; 22.6805; 7.0893
90; 90; 90
3011Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Phosphonopropionic acid as a building block in supramolecular chemistry: salts with organic diamines
Acta Crystallographica Section B, 2003, 59, 248-262
2103860 CIF
HKL
Paper
C7 H17 N2 O5 PP 1 21/n 110.6065; 7.9214; 12.8892
90; 94.054; 90
1080.22Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Phosphonopropionic acid as a building block in supramolecular chemistry: salts with organic diamines
Acta Crystallographica Section B, 2003, 59, 248-262
2103861 CIF
HKL
Paper
C12 H32 N2 O12 P2P 1 21/c 16.927; 20.6027; 8.0115
90; 111.409; 90
1064.47Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Phosphonopropionic acid as a building block in supramolecular chemistry: salts with organic diamines
Acta Crystallographica Section B, 2003, 59, 248-262
2103862 CIF
HKL
Paper
C52 H60 N8 O20 P4P 1 21/n 111.3482; 6.7178; 17.7354
90; 97.498; 90
1340.5Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Phosphonopropionic acid as a building block in supramolecular chemistry: salts with organic diamines
Acta Crystallographica Section B, 2003, 59, 248-262
2103863 CIF
HKL
Paper
C18 H26 N2 O10 P2P -17.5651; 8.6472; 9.0077
72.634; 73.176; 87.386
537.79Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Phosphonopropionic acid as a building block in supramolecular chemistry: salts with organic diamines
Acta Crystallographica Section B, 2003, 59, 248-262
2103864 CIF
HKL
Paper
C12.34 H28 N2 O10.34 P2P c a 2120.2229; 8.6162; 11.8812
90; 90; 90
2070.2Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Phosphonopropionic acid as a building block in supramolecular chemistry: salts with organic diamines
Acta Crystallographica Section B, 2003, 59, 248-262
2103865 CIF
Paper
C10 Mn2 O10I 1 2/a 114.1257; 6.8799; 14.3121
90; 105.078; 90
1343.01Farrugia, Louis J.; Mallinson, Paul R.; Stewart, Brian
Experimental charge density in the transition metal complex Mn~2~(CO)~10~: a comparative study
Acta Crystallographica Section B, 2003, 59, 234-247
2103866 CIF
HKL
Paper
C10 Mn2 O10I 1 2/a 114.1257; 6.8799; 14.3121
90; 105.078; 90
1343.01Farrugia, Louis J.; Mallinson, Paul R.; Stewart, Brian
Experimental charge density in the transition metal complex Mn~2~(CO)~10~: a comparative study
Acta Crystallographica Section B, 2003, 59, 234-247
2103867 CIF
HKL
Paper
Cu0.5 O3 Pt0.332 Ru0.168 Sr1.5R 1 2/c 19.595; 9.595; 11.193
90; 90; 120
892.4Friese, Karen; Kienle, Lorenz; Duppel, Viola; Luo, Hongmei; Lin, Chengtian
Single-crystal X-ray diffraction and electron-microscopy study of multiple-twinned Sr~3~(Ru~0.336~,Pt~0.664~)CuO~6~
Acta Crystallographica Section B, 2003, 59, 182-189
2103868 CIF
HKL
Paper
C12 H13 N5 O2P 21 21 217.1122; 7.3873; 23.3867
90; 90; 90
1228.74Melguizo, Manuel; Quesada, Antonio; Low, John N.; Glidewell, Christopher
Supramolecular structures of <i>N</i>^4^-substituted 2,4-diamino-6-benzyloxy-5-nitrosopyrimidines
Acta Crystallographica Section B, 2003, 59, 263-276
2103869 CIF
HKL
Paper
C15 H19 N5 O2P 1 21/c 17.6146; 13.7686; 16.1215
90; 116.618; 90
1511.08Melguizo, Manuel; Quesada, Antonio; Low, John N.; Glidewell, Christopher
Supramolecular structures of <i>N</i>^4^-substituted 2,4-diamino-6-benzyloxy-5-nitrosopyrimidines
Acta Crystallographica Section B, 2003, 59, 263-276
2103870 CIF
Paper
C23 H35 N5 O2P -17.3567; 7.7784; 21.4725
92; 99.84; 108.76
1141.01Melguizo, Manuel; Quesada, Antonio; Low, John N.; Glidewell, Christopher
Supramolecular structures of <i>N</i>^4^-substituted 2,4-diamino-6-benzyloxy-5-nitrosopyrimidines
Acta Crystallographica Section B, 2003, 59, 263-276
2103871 CIF
HKL
Paper
C17 H21 N5 O2P -18.2656; 10.6077; 10.6743
64.841; 71.021; 87.275
796.56Melguizo, Manuel; Quesada, Antonio; Low, John N.; Glidewell, Christopher
Supramolecular structures of <i>N</i>^4^-substituted 2,4-diamino-6-benzyloxy-5-nitrosopyrimidines
Acta Crystallographica Section B, 2003, 59, 263-276
2103872 CIF
HKL
Paper
C17 H15 N5 O2P 14.7622; 5.8123; 13.5635
79.851; 87.346; 89.692
369.16Melguizo, Manuel; Quesada, Antonio; Low, John N.; Glidewell, Christopher
Supramolecular structures of <i>N</i>^4^-substituted 2,4-diamino-6-benzyloxy-5-nitrosopyrimidines
Acta Crystallographica Section B, 2003, 59, 263-276
2103873 CIF
HKL
Paper
C14 H18 N6 O2C 1 2/c 128.3925; 8.1627; 15.154
90; 121.97; 90
2979.39Melguizo, Manuel; Quesada, Antonio; Low, John N.; Glidewell, Christopher
Supramolecular structures of <i>N</i>^4^-substituted 2,4-diamino-6-benzyloxy-5-nitrosopyrimidines
Acta Crystallographica Section B, 2003, 59, 263-276
2103874 CIF
HKL
Paper
C16 H21 N5 O3P 1 21/c 17.2557; 11.4692; 20.4417
90; 106.113; 90
1634.27Melguizo, Manuel; Quesada, Antonio; Low, John N.; Glidewell, Christopher
Supramolecular structures of <i>N</i>^4^-substituted 2,4-diamino-6-benzyloxy-5-nitrosopyrimidines
Acta Crystallographica Section B, 2003, 59, 263-276
2103875 CIF
HKL
Paper
C16 H20 N4 OP -16.5025; 11.8006; 20.7673
76.195; 82.3623; 77.33
1504.36Melguizo, Manuel; Quesada, Antonio; Low, John N.; Glidewell, Christopher
Supramolecular structures of <i>N</i>^4^-substituted 2,4-diamino-6-benzyloxy-5-nitrosopyrimidines
Acta Crystallographica Section B, 2003, 59, 263-276
2103876 CIF
HKL
Paper
C28 H24 N2 O SiP -18.9849; 9.3118; 15.2451
83.2841; 89.1384; 64.693
1144.3Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
The 1:1 adduct of triphenylsilanol and 4,4'-bipyridyl, and three pairwise-concomitant triclinic polymorphs of the 4:1 adduct having <i>Z</i>' = 0.5, 1 and 4
Acta Crystallographica Section B, 2003, 59, 277-286
2103877 CIF
HKL
Paper
C82 H72 N2 O4 Si4P -19.2128; 10.244; 19.036
99.65; 93.21; 99.57
1740Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
The 1:1 adduct of triphenylsilanol and 4,4'-bipyridyl, and three pairwise-concomitant triclinic polymorphs of the 4:1 adduct having <i>Z</i>' = 0.5, 1 and 4
Acta Crystallographica Section B, 2003, 59, 277-286
2103878 CIF
HKL
Paper
C82 H72 N2 O4 Si4P -110.1595; 18.37; 20.49
66.75; 77.35; 80.95
3417.5Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
The 1:1 adduct of triphenylsilanol and 4,4'-bipyridyl, and three pairwise-concomitant triclinic polymorphs of the 4:1 adduct having <i>Z</i>' = 0.5, 1 and 4
Acta Crystallographica Section B, 2003, 59, 277-286
2103879 CIF
HKL
Paper
C82 H72 N2 O4 Si4P -120.787; 24.404; 29.456
83.68; 89.65; 67.11
13671Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
The 1:1 adduct of triphenylsilanol and 4,4'-bipyridyl, and three pairwise-concomitant triclinic polymorphs of the 4:1 adduct having <i>Z</i>' = 0.5, 1 and 4
Acta Crystallographica Section B, 2003, 59, 277-286
2103880 CIF
HKL
Paper
C112 H127 N4 O88.08C 1 2 119.319; 24.19; 33.315
90; 103.924; 90
15112Giastas, Petros; Yannakopoulou, Konstantina; Mavridis, Irene M.
Molecular structures of the inclusion complexes β-cyclodextrin‒1,2-bis(4-aminophenyl)ethane and β-cyclodextrin‒4,4'-diaminobiphenyl; packing of dimeric β-cyclodextrin inclusion complexes
Acta Crystallographica Section B, 2003, 59, 287-299
2103881 CIF
HKL
Paper
C108 H112 N4 O94.72P 1 21 115.394; 31.995; 15.621
90; 103.738; 90
7474Giastas, Petros; Yannakopoulou, Konstantina; Mavridis, Irene M.
Molecular structures of the inclusion complexes β-cyclodextrin‒1,2-bis(4-aminophenyl)ethane and β-cyclodextrin‒4,4'-diaminobiphenyl; packing of dimeric β-cyclodextrin inclusion complexes
Acta Crystallographica Section B, 2003, 59, 287-299
2103882 CIF
Paper
Ba2 Ge2 O8 Ti12.3014; 12.2837; 10.7367
90; 90; 90
1622.39Höche, Thomas; Esmaeilzadeh, Saeid; Uecker, Reinhard; Lidin, Sven; Neumann, Wolfgang
(3+1)-Dimensional structure refinement of the fresnoite framework-structure type compound Ba~2~TiGe~2~O~8~
Acta Crystallographica Section B, 2003, 59, 209-216
2103883 CIF
Paper
C32 H16 Cu N8P -112.886; 3.769; 12.061
96.22; 90.62; 90.32
582.3Hoshino, Akitaka; Takenaka, Yoshiko; Miyaji, Hideki
Redetermination of the crystal structure of α-copper phthalocyanine grown on KCl
Acta Crystallographica Section B, 2003, 59, 393-403
2103884 CIF
HKL
Paper
C64 H32 I1.74 N16 U0.96P 4/m c c13.997; 13.997; 6.523
90; 90; 90
1278Krawczyk, J.; Pietraszko, A.; Kubiak, R.; Łukaszewicz, K.
Diffuse scattering and short-range order in uranium iodine phthalocyanine [U~1{-~<i>x</i>}Pc~2~]I~2{-~<i>y</i>} and the X-ray structure analysis of crystals with diffuse superstructure reflections
Acta Crystallographica Section B, 2003, 59, 384-392
2103885 CIF
HKL
Paper
C64 H32 I1.86 N16 U0.97P 4/m c c13.995; 13.993; 6.513
90; 90; 90
1275.5Krawczyk, J.; Pietraszko, A.; Kubiak, R.; Łukaszewicz, K.
Diffuse scattering and short-range order in uranium iodine phthalocyanine [U~1{-~<i>x</i>}Pc~2~]I~2{-~<i>y</i>} and the X-ray structure analysis of crystals with diffuse superstructure reflections
Acta Crystallographica Section B, 2003, 59, 384-392
2103886 CIF
HKL
Paper
C9 H18 N2 O2P -18.7038; 12.204; 4.9747
93.021; 90.616; 90.319
527.64Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103887 CIF
HKL
Paper
C9 H18 N2 O2P -18.8173; 12.4339; 5.0963
92.912; 89.876; 90.152
558Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103888 CIF
HKL
Paper
C9 H18 N2 O2P -18.7817; 12.381; 5.1113
92.491; 90.164; 89.589
555.19Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103889 CIF
HKL
Paper
C9 H18 N2 O2P -18.74; 12.357; 5.1473
91.509; 90.236; 89.525
555.7Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103890 CIF
HKL
Paper
C9 H18 N2 O2P -18.7514; 12.46; 5.1254
91.51; 90.273; 89.642
558.68Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103891 CIF
HKL
Paper
C9 H18 N2 O2P -18.7503; 12.4205; 5.0998
90.921; 89.723; 89.714
554.18Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103892 CIF
HKL
Paper
C9 H18 N2 O2P -18.727; 12.601; 5.1459
91.317; 90.331; 89.001
565.65Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103893 CIF
HKL
Paper
C9 H18 N2 O2P -18.726; 12.46; 5.1382
91.423; 90.143; 89.297
558.4Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103894 CIF
HKL
Paper
C9 H18 N2 O2P -18.7438; 12.5269; 5.1573
90.802; 90.388; 89.224
564.77Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103895 CIF
HKL
Paper
C9 H18 N2 O2P -18.7564; 12.5792; 5.1472
90.683; 90.707; 89.216
566.82Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103896 CIF
HKL
Paper
C9 H18 N2 O2P -18.67; 12.5515; 5.149
90.036; 91.078; 88.834
560.11Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103897 CIF
HKL
Paper
C9 H18 N2 O2P -18.7109; 12.6454; 5.1787
90.134; 90.557; 88.953
570.32Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103898 CIF
HKL
Paper
C9 H18 N2 O2P -18.7157; 12.6307; 5.1642
89.78; 90.522; 88.757
568.34Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103899 CIF
HKL
Paper
C9 H18 N2 O2P -18.6912; 12.7757; 5.1587
88.386; 91.168; 88.463
572.24Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103900 CIF
HKL
Paper
C9 H18 N2 O2P -18.605; 12.855; 5.1699
87.263; 92.266; 88.06
570.42Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103901 CIF
HKL
Paper
C9 H18 N2 O2P -18.6137; 12.994; 5.1906
86.197; 91.616; 88.099
579.1Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103902 CIF
HKL
Paper
C9 H18 N2 O2P -18.6337; 13.1782; 5.2242
85.948; 91.71; 88.03
592.2Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103903 CIF
HKL
Paper
C10 H20 N2 O2P -19.5437; 13.205; 4.8457
92.029; 98.767; 78.875
592.2Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103904 CIF
HKL
Paper
C10 H20 N2 O2P -19.547; 13.688; 5.1166
90.902; 97.109; 80.47
654.3Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103905 CIF
HKL
Paper
C10 H20 N2 O2P -19.405; 13.36; 5.1686
93.609; 98.144; 79.387
631.44Hashizume, Daisuke; Miki, Naoko; Yamazaki, Toshiyuki; Aoyagi, Yosuke; Arisato, Tomokuni; Uchiyama, Hiroki; Endo, Tadashi; Yasui, Masanori; Iwasaki, Fujiko
Mechanism of the first-order phase transition of an acylurea derivative: observation of intermediate stages of transformation with a detailed temperature-resolved single-crystal diffraction method
Acta Crystallographica Section B, 2003, 59, 404-415
2103906 CIF
HKL
Paper
C17 H32 N4 O4B m m b9.3593; 29.257; 7.2982
90; 90; 90
1998.4Pinheiro, Carlos Basílio; Gardon, Manuel; Chapuis, Gervais
Structural changes of hexamethylenetetramine and undecanedioic acid co-crystal (HMT-C11) as a function of the temperature
Acta Crystallographica Section B, 2003, 59, 416-427
2103907 CIF
HKL
Paper
C17 H32 N4 O4P 1 21/c 15.8933; 27.6701; 23.4703
90; 102.916; 90
3730.4Pinheiro, Carlos Basílio; Gardon, Manuel; Chapuis, Gervais
Structural changes of hexamethylenetetramine and undecanedioic acid co-crystal (HMT-C11) as a function of the temperature
Acta Crystallographica Section B, 2003, 59, 416-427
2103908 CIF
HKL
Paper
C17 H32 N4 O4P 1 21/c 15.897; 27.7416; 23.4968
90; 102.981; 90
3745.7Pinheiro, Carlos Basílio; Gardon, Manuel; Chapuis, Gervais
Structural changes of hexamethylenetetramine and undecanedioic acid co-crystal (HMT-C11) as a function of the temperature
Acta Crystallographica Section B, 2003, 59, 416-427
2103909 CIF
HKL
Paper
C17 H32 N4 O4P 1 21/c 15.9008; 27.8378; 23.53
90; 103.046; 90
3765.4Pinheiro, Carlos Basílio; Gardon, Manuel; Chapuis, Gervais
Structural changes of hexamethylenetetramine and undecanedioic acid co-crystal (HMT-C11) as a function of the temperature
Acta Crystallographica Section B, 2003, 59, 416-427
2103910 CIF
HKL
Paper
C17 H32 N4 O4P 1 21/c 15.906; 27.94; 23.5635
90; 103.114; 90
3786.9Pinheiro, Carlos Basílio; Gardon, Manuel; Chapuis, Gervais
Structural changes of hexamethylenetetramine and undecanedioic acid co-crystal (HMT-C11) as a function of the temperature
Acta Crystallographica Section B, 2003, 59, 416-427
2103911 CIF
HKL
Paper
C17 H32 N4 O4P 1 21/c 15.9085; 28.0422; 23.5878
90; 103.174; 90
3805.3Pinheiro, Carlos Basílio; Gardon, Manuel; Chapuis, Gervais
Structural changes of hexamethylenetetramine and undecanedioic acid co-crystal (HMT-C11) as a function of the temperature
Acta Crystallographica Section B, 2003, 59, 416-427
2103912 CIF
HKL
Paper
C17 H32 N4 O4P 1 21/c 15.9124; 28.1691; 23.6231
90; 103.27; 90
3829.3Pinheiro, Carlos Basílio; Gardon, Manuel; Chapuis, Gervais
Structural changes of hexamethylenetetramine and undecanedioic acid co-crystal (HMT-C11) as a function of the temperature
Acta Crystallographica Section B, 2003, 59, 416-427
2103913 CIF
HKL
Paper
C17 H32 N4 O4P 1 21/c 15.9167; 28.329; 23.6603
90; 103.362; 90
3858.4Pinheiro, Carlos Basílio; Gardon, Manuel; Chapuis, Gervais
Structural changes of hexamethylenetetramine and undecanedioic acid co-crystal (HMT-C11) as a function of the temperature
Acta Crystallographica Section B, 2003, 59, 416-427
2103914 CIF
HKL
Paper
C17 H32 N4 O4P 1 21/c 15.9189; 28.455; 23.6861
90; 103.445; 90
3879.9Pinheiro, Carlos Basílio; Gardon, Manuel; Chapuis, Gervais
Structural changes of hexamethylenetetramine and undecanedioic acid co-crystal (HMT-C11) as a function of the temperature
Acta Crystallographica Section B, 2003, 59, 416-427
2103915 CIF
HKL
Paper
K1.886 Na0.114 O10 P2 Ti2P n a 2112.7919; 6.3798; 10.588
90; 90; 90
864.08Norberg, Stefan T.; Sobolev, Alexander N.; Streltsov, Victor A.
Cation movement and phase transitions in KTP isostructures; X-ray study of sodium-doped KTP at 10.5K
Acta Crystallographica Section B, 2003, 59, 353-360
2103916 CIF
HKL
Paper
K1.886 Na0.114 O10 P2 Ti2P n a 2112.806; 6.3889; 10.588
90; 90; 90
866.27Norberg, Stefan T.; Sobolev, Alexander N.; Streltsov, Victor A.
Cation movement and phase transitions in KTP isostructures; X-ray study of sodium-doped KTP at 10.5K
Acta Crystallographica Section B, 2003, 59, 353-360
2103917 CIF
HKL
Paper
TaP -4 21 m10.201; 10.201; 5.3075
90; 90; 90
552.3Arakcheeva, Alla; Chapuis, Gervais; Birkedal, Henrik; Pattison, Phil; Grinevitch, Vladimir
The commensurate composite σ-structure of β-tantalum
Acta Crystallographica Section B, 2003, 59, 324-336
2103918 CIF
Paper
TaP -410.1815; 10.1815; 5.295
90; 90; 90
548.9Arakcheeva, Alla; Chapuis, Gervais; Birkedal, Henrik; Pattison, Phil; Grinevitch, Vladimir
The commensurate composite σ-structure of β-tantalum
Acta Crystallographica Section B, 2003, 59, 324-336
2103919 CIF
Paper
C Na2 O38.898; 5.237; 5.996
90; 101.87; 90
273.4Dusek, Michal; Chapuis, Gervais; Meyer, Mathias; Petricek, Vaclav
Sodium carbonate revisited
Acta Crystallographica Section B, 2003, 59, 337-352
2103920 CIF
Paper
C Na2 O38.9195; 5.2454; 6.05
90; 101.354; 90
277.518Dusek, Michal; Chapuis, Gervais; Meyer, Mathias; Petricek, Vaclav
Sodium carbonate revisited
Acta Crystallographica Section B, 2003, 59, 337-352
2103921 CIF
Paper
C14 H12 Li O3.5P 1 21/a 134.1916; 5.5346; 14.0289
90; 113.998; 90
2425.3Mora, Asiloé J.; Fitch, Andrew N.; Ramirez, Belkis M.; Delgado, Gerzon E.; Brunelli, Michela; Wright, Jonathan
Structure of lithium benzilate hemihydrate solved by simulated annealing and difference Fourier synthesis from powder data
Acta Crystallographica Section B, 2003, 59, 378-383
2103922 CIF
HKL
Paper
C9 H15 N5 O2P 1 21/c 18.844; 16.436; 8.926
90; 114.81; 90
1177.7Tafeenko, V. A.; Chernyshev, V. V.; Yatsenko, A. V.; Makarov, V. A.; Sonneveld, E. J.; Peschar, R.; Schenk, H.
Intermolecular —CH~3~···O~2~N— contacts in two polymorphic modifications of (1<i>E</i>)-<i>N</i>'-[(<i>E</i>)-2-cyano-1-(dimethylamino)-2-nitrovinyl]-<i>N</i>,<i>N</i>-dimethylethanimidamide
Acta Crystallographica Section B, 2003, 59, 492-497
2103923 CIF
HKL
Paper
O8 V4 Y9.109; 10.687; 2.887
90; 90; 90
281.04Onoda, Mitsuko; Dhaussy, Anne-Claire; Kanke, Yasushi
Structural characterization of YV~4~O~8~: simultaneous analysis of coexisting polytypes and simulation of diffuse scattering for a stacking disorder model
Acta Crystallographica Section B, 2003, 59, 429-438
2103924 CIF
Paper
Ce Mo5 O8P 1 21/c 17.5643; 9.0693; 9.915
90; 109.211; 90
642.319Gougeon, P.; Gall, P.; Halet, J.-F.; Gautier, R.
Structural trends and the electronic structure of the rare-earth oxomolybdates <i>R</i>Mo~5~O~8~ (<i>R</i> = La, Ce, Pr, Nd, Sm, Eu and Gd) containing chains of bioctahedral Mo~10~ clusters
Acta Crystallographica Section B, 2003, 59, 472-478
2103925 CIF
Paper
Mo5 O8 PrP 1 21/c 17.5662; 9.0569; 9.9175
90; 109.329; 90
641.301Gougeon, P.; Gall, P.; Halet, J.-F.; Gautier, R.
Structural trends and the electronic structure of the rare-earth oxomolybdates <i>R</i>Mo~5~O~8~ (<i>R</i> = La, Ce, Pr, Nd, Sm, Eu and Gd) containing chains of bioctahedral Mo~10~ clusters
Acta Crystallographica Section B, 2003, 59, 472-478
2103926 CIF
Paper
Mo5 Nd O8P 1 21/c 17.5606; 9.0392; 9.9082
90; 109.451; 90
638.496Gougeon, P.; Gall, P.; Halet, J.-F.; Gautier, R.
Structural trends and the electronic structure of the rare-earth oxomolybdates <i>R</i>Mo~5~O~8~ (<i>R</i> = La, Ce, Pr, Nd, Sm, Eu and Gd) containing chains of bioctahedral Mo~10~ clusters
Acta Crystallographica Section B, 2003, 59, 472-478
2103927 CIF
Paper
Mo5 O8 SmP 1 21/c 17.562; 9.0197; 9.9226
90; 109.664; 90
637.32Gougeon, P.; Gall, P.; Halet, J.-F.; Gautier, R.
Structural trends and the electronic structure of the rare-earth oxomolybdates <i>R</i>Mo~5~O~8~ (<i>R</i> = La, Ce, Pr, Nd, Sm, Eu and Gd) containing chains of bioctahedral Mo~10~ clusters
Acta Crystallographica Section B, 2003, 59, 472-478
2103928 CIF
Paper
Eu Mo5 O8P 1 21/c 17.5554; 9.1622; 9.9685
90; 109.356; 90
651.06Gougeon, P.; Gall, P.; Halet, J.-F.; Gautier, R.
Structural trends and the electronic structure of the rare-earth oxomolybdates <i>R</i>Mo~5~O~8~ (<i>R</i> = La, Ce, Pr, Nd, Sm, Eu and Gd) containing chains of bioctahedral Mo~10~ clusters
Acta Crystallographica Section B, 2003, 59, 472-478
2103929 CIF
Paper
C38 H28 Fe N6 S2P 1 21/c 117.57; 12.602; 17.358
90; 115.684; 90
3464Marchivie, Mathieu; Guionneau, Philippe; Létard, Jean-François; Chasseau, Daniel
Towards direct correlations between spin-crossover and structural features in iron(II) complexes
Acta Crystallographica Section B, 2003, 59, 479-486
2103930 CIF
Paper
C38 H28 Fe N6 S2P 1 21/c 117.362; 12.362; 17.05
90; 115.833; 90
3293.7Marchivie, Mathieu; Guionneau, Philippe; Létard, Jean-François; Chasseau, Daniel
Towards direct correlations between spin-crossover and structural features in iron(II) complexes
Acta Crystallographica Section B, 2003, 59, 479-486
2103931 CIF
HKL
Paper
C13 H24 N4 O4B m m b9.3962; 22.981; 7.3338
90; 90; 90
1583.6Gardon, Manuel; Pinheiro, Carlos B.; Chapuis, Gervais
Structural phases of hexamethylenetetramine‒pimelic acid (1/1): a unified description based on a stacking model
Acta Crystallographica Section B, 2003, 59, 527-536
2103932 CIF
HKL
Paper
C13 H24 N4 O4P 1 21/c 15.9088; 22.2973; 11.856
90; 106.281; 90
1499.4Gardon, Manuel; Pinheiro, Carlos B.; Chapuis, Gervais
Structural phases of hexamethylenetetramine–pimelic acid (1/1): a unified description based on a stacking model
Acta Crystallographica Section B, 2003, 59, 527-536
2103933 CIF
HKL
Paper
C13 H24 N4 O4P c c n9.5005; 22.6599; 14.4004
90; 90; 90
3100.1Gardon, Manuel; Pinheiro, Carlos B.; Chapuis, Gervais
Structural phases of hexamethylenetetramine–pimelic acid (1/1): a unified description based on a stacking model
Acta Crystallographica Section B, 2003, 59, 527-536
2103934 CIF
HKL
Paper
C9 H14 N4 O3P 1 21/m 18.589; 6.675; 10.657
90; 112.23; 90
565.6Kubicki, Maciej; Borowiak, Teresa; Dutkiewicz, Grzegorz; Sobiak, Stanisław; Weidlich, Iwona
1,2-Dimethyl-4-nitro-5-morpholinoimidazole and its hydrate: a case of a centrosymmetric‒noncentrosymmetric ambiguity
Acta Crystallographica Section B, 2003, 59, 487-491
2103935 CIF
HKL
Paper
C9 H16 N4 O4P -110.1972; 10.2908; 11.1812
95.319; 92.235; 90.777
1167.2Kubicki, Maciej; Borowiak, Teresa; Dutkiewicz, Grzegorz; Sobiak, Stanisław; Weidlich, Iwona
1,2-Dimethyl-4-nitro-5-morpholinoimidazole and its hydrate: a case of a centrosymmetric‒noncentrosymmetric ambiguity
Acta Crystallographica Section B, 2003, 59, 487-491
2103936 CIF
HKL
Paper
C9 H16 N4 O4P -110.1087; 10.2497; 10.9623
95.888; 92.119; 90.188
1129.02Kubicki, Maciej; Borowiak, Teresa; Dutkiewicz, Grzegorz; Sobiak, Stanisław; Weidlich, Iwona
1,2-Dimethyl-4-nitro-5-morpholinoimidazole and its hydrate: a case of a centrosymmetric‒noncentrosymmetric ambiguity
Acta Crystallographica Section B, 2003, 59, 487-491
2103937 CIF
HKL
Paper
C24 H11 N5 O8 S4P 1 21/n 16.7816; 30.572; 12.4381
90; 94.304; 90
2571.5Salmerón-Valverde, Amparo; Bernès, Sylvain; Robles-Martínez, Juan Gerardo
Structure and degree of charge transfer of two polymorphs of a 1:1 molecular complex: [2,2'-bis-1,3-dithiole][9-dicyanomethylene-4,5,7-trinitrofluorene-2-carboxylic acid methyl ester] (TTF-MeDC2TNF)
Acta Crystallographica Section B, 2003, 59, 505-511
2103938 CIF
HKL
Paper
C24 H11 N5 O8 S4C 1 2/c 115.2489; 12.692; 13.795
90; 104.35; 90
2586.6Salmerón-Valverde, Amparo; Bernès, Sylvain; Robles-Martínez, Juan Gerardo
Structure and degree of charge transfer of two polymorphs of a 1:1 molecular complex: [2,2'-bis-1,3-dithiole][9-dicyanomethylene-4,5,7-trinitrofluorene-2-carboxylic acid methyl ester] (TTF-MeDC2TNF)
Acta Crystallographica Section B, 2003, 59, 505-511
2103939 CIF
HKL
Paper
C19 H17 Cl OP 1 21/c 117.128; 10.563; 8.79
90; 103.99; 90
1543.1Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 5. A topotactic [2 + 2]-photodimerization reaction
Acta Crystallographica Section B, 2003, 59, 670-675
2103940 CIF
HKL
Paper
C19 H17 Cl OP 1 21/c 117.121; 10.565; 8.8
90; 104.32; 90
1542.3Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 5. A topotactic [2 + 2]-photodimerization reaction
Acta Crystallographica Section B, 2003, 59, 670-675
2103941 CIF
HKL
Paper
C19 H17 Cl OP 1 21/c 117.089; 10.564; 8.812
90; 104.96; 90
1536.9Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 5. A topotactic [2 + 2]-photodimerization reaction
Acta Crystallographica Section B, 2003, 59, 670-675
2103942 CIF
HKL
Paper
C19 H17 Cl OP 1 21/c 116.961; 10.581; 8.803
90; 104.56; 90
1529.1Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 5. A topotactic [2 + 2]-photodimerization reaction
Acta Crystallographica Section B, 2003, 59, 670-675
2103943 CIF
HKL
Paper
C19 H17 Cl OP 1 21/c 116.951; 10.59; 8.803
90; 104.59; 90
1529.3Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 5. A topotactic [2 + 2]-photodimerization reaction
Acta Crystallographica Section B, 2003, 59, 670-675
2103944 CIF
HKL
Paper
C19 H17 Cl OP 1 21/c 116.781; 10.627; 8.735
90; 104.07; 90
1511Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 5. A topotactic [2 + 2]-photodimerization reaction
Acta Crystallographica Section B, 2003, 59, 670-675
2103945 CIF
HKL
Paper
C19 H17 Cl OP 1 21/c 116.716; 10.664; 8.691
90; 103.72; 90
1505Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 5. A topotactic [2 + 2]-photodimerization reaction
Acta Crystallographica Section B, 2003, 59, 670-675
2103946 CIF
HKL
Paper
C19 H17 Cl OP 1 21/c 116.695; 10.687; 8.67
90; 103.69; 90
1502.9Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 5. A topotactic [2 + 2]-photodimerization reaction
Acta Crystallographica Section B, 2003, 59, 670-675
2103947 CIF
HKL
Paper
C19 H17 Cl OP 1 21/c 116.686; 10.688; 8.664
90; 103.74; 90
1500.9Turowska-Tyrk, Ilona
Monitoring structural transformations in crystals. 5. A topotactic [2 + 2]-photodimerization reaction
Acta Crystallographica Section B, 2003, 59, 670-675

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