Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica B (39,1983-)' volume of publication is 61
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2100099 | CIF Paper | C17 H20 N2 O2 | P -1 | 9.212; 13.454; 6.69 82.19; 111.22; 109.42 | 728.84 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100100 | CIF Paper | C21 H30 O3 | P -1 | 8.038; 10.391; 12.299 100.51; 107.29; 104.9 | 909.795 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100101 | CIF Paper | C63 H49 Cl F6 N3 O2 P3 Ru S | P -1 | 13.852; 14.375; 16.522 108.34; 109.94; 92.57 | 2892.59 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100102 | CIF Paper | C45 H30 Au Fe O P | P -1 | 9.7888; 12.6542; 14.9629 88.49; 74.93; 86.03 | 1785.34 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100103 | CIF Paper | C41 H34 Cl O5 P2 Rh | P -1 | 9.233; 9.5526; 11.657 109.93; 108.35; 96.83 | 887.436 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100104 | CIF Paper | C34 H32 Fe N2 O5 | P -1 | 9.396; 10.246; 16.126 99.33; 101.5; 106.72 | 1416.59 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100105 | CIF Paper | C46 H38 Cu2 I2 N2 P2 | P -1 | 9.2279; 9.4014; 13.3663 107.44; 106.71; 93.48 | 1045.8 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100106 | CIF Paper | C26 H28 Ag2 Cl2 N4 O8 | P -1 | 9.045; 9.658; 9.949 66.18; 68.22; 69.59 | 717.804 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100107 | CIF Paper | C70 H86 Cl2 N4 O7 P2 Rh2 | P -1 | 10.3194; 10.5582; 17.3713 97.01; 94.35; 112.15 | 1724.54 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100108 | CIF Paper | C54 H50 N3 O4 P2 Rh | P -1 | 9.3586; 11.0979; 12.374 73.71; 71.41; 80.67 | 1165.48 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100109 | CIF Paper | C30 H26 F6 Mo2 N8 O4 | P -1 | 9.0803; 9.9731; 10.9741 64.44; 83.61; 67.1 | 823.963 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100110 | CIF Paper | C6 H8 Mn N2 O6 S | P 1 21 1 | 8.4549; 6.6221; 9.0743 90; 91.57; 90 | 507.872 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100111 | CIF Paper | C8 H25 Cl5 Co N5 Zn | P -1 | 9.3281; 9.5426; 11.448 105.56; 92.96; 106.29 | 933.365 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100112 | CIF Paper | C6 H34 B12 N2 O28 Zn | P -1 | 8.3014; 9.2489; 10.442 106.71; 94.22; 100.02 | 749.635 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100113 | CIF Paper | C24 H34 N3 O2 Re S3 | P -1 | 9.3604; 11.044; 13.823 89.19; 74.5; 75.04 | 1328.02 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100114 | CIF Paper | C42 H26 Co3 N4 O14 | P -1 | 7.7709; 10.572; 12.178 88.49; 77.97; 69.84 | 917.423 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100115 | CIF Paper | C24 H29 N O5 S | P -1 | 10.3108; 12.1191; 12.307 62.14; 66.18; 89.93 | 1209.9 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100116 | CIF Paper | C29 H30 O3 S | P 1 21/c 1 | 14.935; 6.618; 25.302 90; 100.4; 90 | 2459.76 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100117 | CIF Paper | C48 H44 N8 Ni2 O8 | P -1 | 9.1818; 9.7958; 12.8848 90.24; 90.02; 90.38 | 1158.86 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100118 | CIF Paper | C11 H16 Cl2 Hg N4 | P -1 | 7.865; 9.282; 11.6 67.21; 70.85; 79.36 | 735.906 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100119 | CIF Paper | C42 H42 Cl2 Cu2 N12 O15 | P -1 | 9.599; 11.206; 12.48 73.22; 77.84; 76.88 | 1236.47 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100120 | CIF Paper | C42 H42 B2 Cu2 F8 N12 O7 | P -1 | 9.6285; 11.1703; 12.3806 73.81; 78.15; 76.59 | 1229.71 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100121 | CIF Paper | C2 H8 O Si | P n a 21 | 29.207; 4.524; 7.339 90; 90; 90 | 969.72 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100122 | CIF Paper | C36 H37 Co F12 O2 | P -1 | 8.979; 10.651; 10.736 100.77; 99.56; 114.06 | 886.797 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100123 | CIF Paper | C41.5 H41 N4 Ni O4.5 | P -1 | 11.376; 12.09; 14.155 91.53; 104.32; 105.6 | 1807.76 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100124 | CIF Paper | C34 H34 Cl2 Cu2 N8 S2 | P -1 | 7.544; 11.099; 12.258 65.92; 72.26; 76.24 | 884.857 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100125 | CIF Paper | C40 H36 Co N10 O4 S2 | P -1 | 9.9613; 10.5477; 11.0869 65.2; 71.95; 74.36 | 992.174 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100126 | CIF Paper | C20 H25 Cl Fe N5 O7 | P -1 | 8.8643; 11.1566; 12.3585 99.89; 104.14; 90.07 | 1166.36 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100127 | CIF Paper | C48 H38 N12 | P -1 | 10.307; 12.671; 17.474 72.9; 82.82; 68.48 | 2028.79 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100128 | CIF Paper | C11 H10 Cl Cu N3 O2 | P -1 | 7.2685; 9.0937; 9.7803 74.54; 84.6; 72.68 | 594.735 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
| 2100129 | CIF | C27 H30 N8 O4 | P -1 | 8.7035; 12.496; 13.7034 63.416; 89.997; 78.22 | 1297.62 | Acta Crystallographica, Section B, 2005, 61, 569-576 |
| 2100130 | CIF | C23 H27 N7 O3 | C 1 2/c 1 | 33.9318; 5.025; 30.4072 90; 122.689; 90 | 4363.47 | Acta Crystallographica, Section B, 2005, 61, 569-576 |
| 2100131 | CIF | C25 H36 Cl N9 O6 | P -1 | 10.533; 11.1912; 14.2829 85.532; 81.842; 63.019 | 1485.02 | Acta Crystallographica, Section B, 2005, 61, 569-576 |
| 2100132 | CIF | C24 H33 N7 O5 | P 1 21/a 1 | 10.4021; 15.3698; 16.6432 90; 99.085; 90 | 2627.5 | Acta Crystallographica, Section B, 2005, 61, 569-576 |
| 2100133 | CIF Paper | C12 H17 N O6 | P 1 21 1 | 6.3425; 13.9448; 7.5021 90; 107.66; 90 | 632.25 | Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher Supramolecular structures of 1-phenylethylammonium tartrates Acta Crystallographica Section B, 2005, 61, 103-114 |
| 2100134 | CIF Paper | C12 H17 N O6 | P 1 21 1 | 7.3025; 22.8901; 8.1193 90; 96.599; 90 | 1348.19 | Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher Supramolecular structures of 1-phenylethylammonium tartrates Acta Crystallographica Section B, 2005, 61, 103-114 |
| 2100135 | CIF Paper | C12 H17 N O6 | P 1 21 1 | 7.2952; 22.8935; 8.11 90; 96.603; 90 | 1345.49 | Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher Supramolecular structures of 1-phenylethylammonium tartrates Acta Crystallographica Section B, 2005, 61, 103-114 |
| 2100136 | CIF Paper | C20 H28 N2 O6 | P 1 21 1 | 5.562; 16.063; 11.826 90; 103.281; 90 | 1028.31 | Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher Supramolecular structures of 1-phenylethylammonium tartrates Acta Crystallographica Section B, 2005, 61, 103-114 |
| 2100137 | CIF Paper | C20 H28 N2 O6 | P 1 21 1 | 8.3381; 22.738; 10.819 90; 90.12; 90 | 2051.2 | Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher Supramolecular structures of 1-phenylethylammonium tartrates Acta Crystallographica Section B, 2005, 61, 103-114 |
| 2100138 | CIF Paper | C41 H60 N4 O13 | P 1 | 9.0822; 15.7819; 15.904 108.746; 96.858; 90.06 | 2141.33 | Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher Supramolecular structures of 1-phenylethylammonium tartrates Acta Crystallographica Section B, 2005, 61, 103-114 |
| 2100139 | CIF Paper | C8 H16 N4 | P 1 21/c 1 | 20.247; 18.212; 27.665 90; 102.94; 90 | 9942.1 | Hao, Xiang; Chen, Jing; Cammers, Arthur; Parkin, Sean; Brock, Carolyn Pratt A helical structure with <i>Z</i>' = 10 Acta Crystallographica Section B, 2005, 61, 218-226 |
| 2100140 | CIF Paper | C14 H7 I N2 O4 | P 21 21 21 | 4.1092; 6.7843; 48.6775 90; 90; 90 | 1357.03 | Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L. Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions Acta Crystallographica Section B, 2005, 61, 227-237 |
| 2100141 | CIF Paper | C14 H7 I N2 O4 | P 1 21/c 1 | 7.9592; 6.5708; 25.648 90; 97.96; 90 | 1328.4 | Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L. Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions Acta Crystallographica Section B, 2005, 61, 227-237 |
| 2100142 | CIF Paper | C14 H7 I N2 O4 | P 1 21/n 1 | 13.4591; 7.6018; 14.7086 90; 110.592; 90 | 1408.74 | Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L. Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions Acta Crystallographica Section B, 2005, 61, 227-237 |
| 2100143 | CIF Paper | C14 H7 I N2 O4 | P 1 21/n 1 | 7.5238; 22.6556; 7.9201 90; 107.382; 90 | 1288.38 | Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L. Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions Acta Crystallographica Section B, 2005, 61, 227-237 |
| 2100144 | CIF Paper | C14 H7 I N2 O4 | P 21 21 21 | 6.807; 13.0955; 14.8369 90; 90; 90 | 1322.58 | Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L. Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions Acta Crystallographica Section B, 2005, 61, 227-237 |
| 2100145 | CIF HKL Paper | C11.33 H12.95 O48 Si24 | P 21 21 21 | 20.099; 19.844; 13.424 90; 90; 90 | 5354.09 | Nishi, Koji; Hidaka, Akira; Yokomori, Yoshinobu Structure of toluene6.4-ZSM-5 and the toluene disproportionation reaction on ZSM-5 Acta Crystallographica Section B, 2005, 61, 160-163 |
| 2100146 | CIF HKL Paper | C6 H5 F O | P 1 21 1 | 5.651; 5.0642; 9.3185 90; 107.518; 90 | 254.31 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100147 | CIF Paper | C6 H5 F O | P 1 21 1 | 5.6747; 5.076; 9.4753 90; 107.832; 90 | 259.82 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100148 | CIF HKL Paper | C6 H5 Cl O | P 21 21 21 | 3.9846; 13.9272; 20.699 90; 90; 90 | 1148.7 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100149 | CIF Paper | C6 H5 Cl O | P 21 21 21 | 4.0949; 13.875; 20.716 90; 90; 90 | 1177 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100150 | CIF HKL Paper | C6 H5 Cl O | P 1 21/c 1 | 8.7086; 15.4523; 8.7414 90; 93.954; 90 | 1173.5 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100151 | CIF Paper | C6 H5 Cl O | P 1 21/c 1 | 3.9724; 12.7328; 23.155 90; 94.126; 90 | 1168.1 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100152 | CIF Paper | C6 H5 Cl O | P 1 21/c 1 | 4.1096; 12.7665; 23.181 90; 94.201; 90 | 1212.9 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100153 | CIF HKL Paper | C6 H5 F O | C 1 2/c 1 | 17.1336; 8.2766; 11.4975 90; 100.234; 90 | 1604.5 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100154 | CIF Paper | C6 H5 F O | P 21 21 21 | 5.7168; 9.9997; 17.868 90; 90; 90 | 1021.4 | Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon Structures of the monofluoro- and monochlorophenols at low temperature and high pressure Acta Crystallographica Section B, 2005, 61, 69-79 |
| 2100155 | CIF Paper | H18 O10 Sr | P 4/n c c :1 | 8.999; 8.999; 11.566 90; 90; 90 | 936.6 | Ricci, John S.; Stevens, Raymond C.; McMullan, Richard K.; Klooster, Wim T. Structure of strontium hydroxide octahydrate, Sr(OH)~2~·8H~2~O, at 20, 100 and 200K from neutron diffraction Acta Crystallographica Section B, 2005, 61, 381-386 |
| 2100156 | CIF Paper | H18 O10 Sr | P 4/n c c :1 | 8.99; 8.99; 11.534 90; 90; 90 | 932.2 | Ricci, John S.; Stevens, Raymond C.; McMullan, Richard K.; Klooster, Wim T. Structure of strontium hydroxide octahydrate, Sr(OH)~2~·8H~2~O, at 20, 100 and 200K from neutron diffraction Acta Crystallographica Section B, 2005, 61, 381-386 |
| 2100157 | CIF Paper | H18 O10 Sr | P 4/n c c :1 | 8.984; 8.984; 11.517 90; 90; 90 | 929.6 | Ricci, John S.; Stevens, Raymond C.; McMullan, Richard K.; Klooster, Wim T. Structure of strontium hydroxide octahydrate, Sr(OH)~2~·8H~2~O, at 20, 100 and 200K from neutron diffraction Acta Crystallographica Section B, 2005, 61, 381-386 |
| 2100158 | CIF Paper | C20 H16 Cl2 Zr | C 1 2/c 1 | 15.387; 10.512; 11.927 90; 121.85; 90 | 1638.7 | Stash, Adam I.; Tanaka, Kiyoaki; Shiozawa, Kazunari; Makino, Hitoshi; Tsirelson, Vladimir G. Atomic interactions in ethylenebis(1-indenyl)zirconium dichloride as derived by experimental electron density analysis Acta Crystallographica Section B, 2005, 61, 418-428 |
| 2100159 | CIF Paper | B32 K16 Nb16 O96 | P b n 21 | 7.3056; 31.1632; 9.1659 90; 90; 90 | 2086.8 | Schmid, Siegbert; Wagner, Trixie Structure of KNbOB~2~O~5~ ‒ a commensurately modulated structure Acta Crystallographica Section B, 2005, 61, 361-366 |
| 2100160 | CIF Paper | C12 H24 Cl Mn N6 O6 | C -1 | 30.5936; 18.8967; 12.8288 90.18; 111.561; 90.083 | 6897.5 | A. David Rae; Susanne Mossin; Henning O. Sørensen Structure refinement of a twinned pseudo-symmetric crystal of [Mn(C~10~H~24~N~4~)(NCO)~2~]^+^·ClO_4^- Acta Crystallographica Section B, 2005, 61, 407-417 |
| 2100161 | CIF Paper | C18 H42 N8 O10 | P 1 21/c 1 | 13.825; 5.0531; 18.804 90; 102.9; 90 | 1280.5 | Vijayan, M X-ray studies on crystalline complexes involving amino acids and peptides. XLII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-arginine and supramolecular association in arginine‒dicarboxylic acid complexes Acta Crystallographica Section B, 2005, 61, 89-95 |
| 2100162 | CIF Paper | C18 H38 N8 O8 | P 1 21 1 | 12.494; 5.951; 16.719 90; 105.977; 90 | 1195.1 | Vijayan, M X-ray studies on crystalline complexes involving amino acids and peptides. XLII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-arginine and supramolecular association in arginine‒dicarboxylic acid complexes Acta Crystallographica Section B, 2005, 61, 89-95 |
| 2100163 | CIF Paper | C3 H4 N2 O2 | C 1 2/c 1 | 9.3538; 12.1757; 7.2286 90; 104.593; 90 | 796.7 | Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P. A third blind test of crystal structure prediction Acta Crystallographica Section B, 2005, 61, 511-527 |
| 2100164 | CIF Paper | C22 H8 I2 O2 | P 1 21/c 1 | 4.202; 20.956; 9.276 90; 100.63; 90 | 802.8 | Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P. A third blind test of crystal structure prediction Acta Crystallographica Section B, 2005, 61, 511-527 |
| 2100165 | CIF Paper | C9 H9 N3 O5 | P 1 21/n 1 | 12.5693; 4.8531; 17.2663 90; 99.1624; 90 | 1039.81 | Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P. A third blind test of crystal structure prediction Acta Crystallographica Section B, 2005, 61, 511-527 |
| 2100166 | CIF Paper | C3 H7 N | P 1 21/c 1 | 9.507; 9.122; 9.79 90; 117.469; 90 | 753.3 | Day, G. M.; Motherwell, W. D. S.; Ammon, H. L.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B. P.; Erk, P.; Facelli, J. C.; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C.; Pantelides, C. C.; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C.; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P. A third blind test of crystal structure prediction Acta Crystallographica Section B, 2005, 61, 511-527 |
| 2100183 | CIF Paper | C12 H22 O11 | P 1 | 7.65217; 19.8637; 4.98773 92.0279; 106.261; 97.1529 | 720.18 | Platteau, Cyril; Lefebvre, Jacques; Affouard, Frederic; Willart, Jean-François; Derollez, Patrick; Mallet, Franck Structure determination of the stable anhydrous phase of α-lactose from X-ray powder diffraction Acta Crystallographica Section B, 2005, 61, 185-191 |
| 2100184 | CIF HKL Paper | Bi2 Cu3.26 I2.62 S3.38 | C 1 2/m 1 | 28.056; 4.1048; 10.58 90; 110.572; 90 | 1140.7 | Tonci Balic-Zunic; Konstantin Mariolacos; Emil Makovicky Structure of a synthetic halogen sulfosalt, Cu~3~Bi~2~S~3~I~3~ Acta Crystallographica Section B, 2005, 61, 239-245 |
| 2100185 | CIF Paper | C144 H144 N24 O36 | P 1 21/n 1 | 10.6907; 47.1248; 6.80017 90; 94.1849; 90 | 3416.77 | Platteau, Cyril; Lefebvre, Jacques; Hemon, Stephanie; Baehtz, Carsten; Danede, Florence; Prevost, Dominique Structure determination of forms I and II of phenobarbital from X-ray powder diffraction Acta Crystallographica Section B, 2005, 61, 80-88 |
| 2100186 | CIF Paper | C144 H144 N24 O36 | P -1 | 10.7313; 23.5112; 6.78309 90.9687; 94.4757; 88.1533 | 1705.13 | Platteau, Cyril; Lefebvre, Jacques; Hemon, Stephanie; Baehtz, Carsten; Danede, Florence; Prevost, Dominique Structure determination of forms I and II of phenobarbital from X-ray powder diffraction Acta Crystallographica Section B, 2005, 61, 80-88 |
| 2100187 | CIF Paper | C Ca O3 | P m c n | 4.96183; 7.96914; 5.742852 90; 90; 90 | 227.081 | Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil On the structure of aragonite Acta Crystallographica Section B, 2005, 61, 129-132 |
| 2100188 | CIF Paper | O2 Si | P 32 2 1 | 4.91427; 4.91427; 5.4058 90; 90; 120 | 113.06 | Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil On the structure of aragonite Acta Crystallographica Section B, 2005, 61, 129-132 |
| 2100189 | CIF Paper | C Ca O3 | R -3 c :H | 4.987; 4.987; 17.058 90; 90; 120 | 367.4 | Caspi, El'ad N.; Pokroy, Boaz; Lee, Peter L.; Quintana, John P.; Zolotoyabko, Emil On the structure of aragonite Acta Crystallographica Section B, 2005, 61, 129-132 |
| 2100190 | CIF Paper | C12 D18 | P -1 | 6.1803; 6.1898; 6.1993 90.041; 90.129; 90.239 | 237.15 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
| 2100191 | CIF Paper | C12 D18 | P -1 | 6.1934; 6.2008; 6.2102 90.012; 90.116; 90.266 | 238.49 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
| 2100192 | CIF Paper | C12 D18 | P -1 | 6.2055; 6.212; 6.2214 90; 90.06; 90.195 | 239.82 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
| 2100193 | CIF Paper | C12 D18 | P -1 | 6.211; 6.219; 6.2257 90; 90.02; 90.17 | 240.47 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
| 2100194 | CIF Paper | C12 D18 | P -1 | 6.2157; 6.2221; 6.2284 90; 90.02; 90.139 | 240.88 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
| 2100195 | CIF Paper | C12 D18 | P -1 | 6.2183; 6.222; 6.2281 90.01; 90.03; 90.12 | 240.97 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
| 2100196 | CIF Paper | C12 D18 | P -1 | 5.236; 6.1845; 7.952 103.816; 98.46; 100.057 | 241.36 | Stride, J.A. Determination of the low-temperature structure of hexamethylbenzene Acta Crystallographica Section B, 2005, 61, 200-206 |
| 2100197 | CIF | C4 H6 O2 | P 1 21/a 1 | 10.1282; 10.2303; 8.31325 90; 93.2908; 90 | 859.95 | Papoular, Robert J; Allouchi, Hassan; Chagnes, Alexandre; Dzyabchenko, Alexander V; Carre, Bernard; Lemordant, Daniel; Agafonov, Viatcheslav X-Ray powder diffraction structure determination of γ-butyrolactone at 180 K. Phase problem solution from the lattice energy minimization with two independent molecules. Acta Crystallographica, Section B, 2005, 61 |
| 2100198 | CIF | C21 H22 N2 O2 | P 21 21 21 | 11.309; 11.785; 12.002 90; 90; 90 | 1599.65 | Messerschmidt, Marc; Scheins, Stephan; Luger, Peter Charge density of (–)-strychnine from 100 to 15 K, a comparison of four data sets Acta Crystallographica, Section B: Structural Science, 2005, 61, 115-121 |
| 2100199 | CIF Paper | C21 H22 N2 O2 | P 21 21 21 | 11.326; 11.765; 11.994 90; 90; 90 | 1598.2 | Messerschmidt, Marc; Scheins, Stephan; Luger, Peter Charge density of (‒)-strychnine from 100 to 15 K, a comparison of four data sets Acta Crystallographica, Section B: Structural Science, 2005, 61, 115-121 |
| 2100200 | CIF | C21 H22 N2 O2 | P 21 21 21 | 11.309; 11.785; 12.002 90; 90; 90 | 1599.65 | Messerschmidt, Marc; Scheins, Stephan; Luger, Peter Charge density of (–)-strychnine from 100 to 15 K, a comparison of four data sets Acta Crystallographica, Section B: Structural Science, 2005, 61, 115-121 |
| 2100201 | CIF Paper | C21 H22 N2 O2 | P 21 21 21 | 11.326; 11.765; 11.994 90; 90; 90 | 1598.2 | Messerschmidt, Marc; Scheins, Stephan; Luger, Peter Charge density of (‒)-strychnine from 100 to 15 K, a comparison of four data sets Acta Crystallographica, Section B: Structural Science, 2005, 61, 115-121 |
| 2100202 | CIF Paper | C8 H10 N4 O2 | R 3 c :H | 14.9372; 14.9372; 6.898 90; 90; 120 | 1332.88 | Derollez, Patrick; Correia, Natália T.; Danède, Florence; Capet, Frédéric; Affouard, Frédéric; Lefebvre, Jacques; Descamps, Marc <i>Ab initio</i> structure determination of the high-temperature phase of anhydrous caffeine by X-ray powder diffraction Acta Crystallographica Section B, 2005, 61, 329-334 |
| 2100203 | CIF Paper | C17 H21 N O4 | P 21 21 21 | 7.431; 13.769; 14.944 90; 90; 90 | 1529 | Scheins, Stephan; Messerschmidt, Marc; Luger, Peter Submolecular partitioning of morphine hydrate based on its experimental charge density at 25K Acta Crystallographica Section B, 2005, 61, 443-448 |
| 2100204 | CIF Paper | C12 H22 O11 | P 1 | 7.6258; 19.6559; 5.0613 95.646; 105.43; 80.996 | 721.01 | Lefebvre, Jacques; Willart, J.-F.; Caron, V.; Lefort, R.; Affouard, F.; Danède, F. Structure determination of the 1/1 α/β mixed lactose by X-ray powder diffraction Acta Crystallographica Section B, 2005, 61, 455-463 |
| 2100205 | CIF | B4 Fe3 Gd O12 | P 31 2 1 | 9.5305; 9.5305; 7.5479 90; 90; 120 | 593.73 | Klimin, S. A.; Fausti, D.; Meetsma, A.; Bezmaternykh, L. N.; van Loosdrecht, P. H. M.; Palstra, T. T. M. Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4 Acta Crystallographica, Section B: Structural Science, 2005, 61, 481-485 |
| 2100206 | CIF | B4 Fe3 Gd O12 | R 3 2 :H | 9.5203; 9.5203; 7.5439 90; 90; 120 | 592.15 | Klimin, S. A.; Fausti, D.; Meetsma, A.; Bezmaternykh, L. N.; van Loosdrecht, P. H. M.; Palstra, T. T. M. Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4 Acta Crystallographica, Section B: Structural Science, 2005, 61, 481-485 |
| 2100207 | CIF Paper | C50 H77 Cl O55.25 | C 1 2 1 | 18.998; 24.82; 16.662 90; 105.29; 90 | 7579 | Tsorteki, Frantzeska; Bethanis, Kostas; Pinotsis, Nikos; Giastas, Petros; Mentzafos, Dimitris Inclusion compounds of plant growth regulators in cyclodextrins. V. 4-Chlorophenoxyacetic acid encapsulated in β-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin Acta Crystallographica Section B, 2005, 61, 207-217 |
| 2100208 | CIF Paper | C141.5 H238 Cl2 O80 | P 1 21 1 | 10.926; 25.284; 29.954 90; 92.86; 90 | 8265 | Tsorteki, Frantzeska; Bethanis, Kostas; Pinotsis, Nikos; Giastas, Petros; Mentzafos, Dimitris Inclusion compounds of plant growth regulators in cyclodextrins. V. 4-Chlorophenoxyacetic acid encapsulated in β-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin Acta Crystallographica Section B, 2005, 61, 207-217 |
| 2100209 | CIF | ? | R -3 m :H | 4.27125; 4.27125; 63.8957 90; 90; 120 | 1009.51 | Kifune, Kouichi; Kubota, Yoshiki; Matsunaga, Toshiyuki; Yamada, Noboru Extremely long period stacking structure in the Sb-Te binary system Acta Crystallographica, Section B: Structural Science, 2005, 61, 492-497 |
| 2100210 | CIF | ? | R -3 m :H | 4.28168; 4.28168; 108.7017 90; 90; 120 | 1725.82 | Kifune, Kouichi; Kubota, Yoshiki; Matsunaga, Toshiyuki; Yamada, Noboru Extremely long period stacking structure in the Sb-Te binary system Acta Crystallographica, Section B: Structural Science, 2005, 61, 492-497 |
| 2100211 | CIF Paper | Ba0.0504 Bi0.2661 O1.8165 Ti0.6835 | ?P? | 10.6914; 3.7963; 3.3457 90; 92.625; 90 | 135.652 | Michiue, Yuichi; Yamamoto, Akiji; Onoda, Mitsuko; Sato, Akira; Akashi, Takaya; Yamane, Hisanori Incommensurate crystallographic shear structure of Ba~<i>x~</i>Bi~2{-~2<i>x</i>}Ti~4{-~<i>x</i>}O~11{-~4<i>x</i>} (<i>x</i> = 0.275) Acta Crystallographica Section B, 2005, 61, 145-153 |
| 2100212 | CIF Paper | C24 H38 O5 | P 21 21 21 | 8.9879; 9.4028; 26.4369 90; 90; 90 | 2234.22 | Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga Hydrogen-bonded aggregations of oxo-cholic acids Acta Crystallographica Section B, 2005, 61, 346-356 |
| 2100213 | CIF Paper | C24 H38 O5 | P 21 21 21 | 6.3122; 10.8884; 32.0624 90; 90; 90 | 2203.64 | Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga Hydrogen-bonded aggregations of oxo-cholic acids Acta Crystallographica Section B, 2005, 61, 346-356 |
| 2100214 | CIF Paper | C24 H36 O5 | P 1 21 1 | 10.2677; 7.1108; 15.227 90; 92.34; 90 | 1110.82 | Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga Hydrogen-bonded aggregations of oxo-cholic acids Acta Crystallographica Section B, 2005, 61, 346-356 |
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