Crystallography Open Database

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2300192 CIFAl2.34 Ca0.02 Fe0.02 H4 K0.78 Mg0.34 Na0.02 O12 On Si3.35C 1 2/m 15.167; 8.983; 10.01
90; 100.5; 90
456.8Gualtieri, Alessandro F.; Ferrari, Simone; Leoni, Matteo; Grathoff, Georg; Hugo, Richard; Shatnawi, Mouath; Paglia, Gianluca; Billinge, Simon
Structural characterization of the clay mineral illite-1M
Journal of Applied Crystallography, 2008, 41, 402-415
2300193 CIF
Paper
C50 H64 O16I 1 2 121.1388; 9.1628; 24.5916
90; 98.1462; 90
4715.1Nishibori, Eiji; Ogura, Tadakatsu; Aoyagi, Shinobu; Sakata, Makoto
<i>Ab initio</i> structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method
Journal of Applied Crystallography, 2008, 41, 292-301
2300194 CIF
Paper
C50 H64 O16I 1 2 121.0262; 9.1138; 24.3796
90; 98.3396; 90
4622.43Nishibori, Eiji; Ogura, Tadakatsu; Aoyagi, Shinobu; Sakata, Makoto
<i>Ab initio</i> structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method
Journal of Applied Crystallography, 2008, 41, 292-301
2300195 CIF
Paper
C50 H64 O16I 1 2 120.9107; 9.0536; 24.2008
90; 98.9412; 90
4525.95Nishibori, Eiji; Ogura, Tadakatsu; Aoyagi, Shinobu; Sakata, Makoto
<i>Ab initio</i> structure determination of a pharmaceutical compound, prednisolone succinate, from synchrotron powder data by combination of a genetic algorithm and the maximum entropy method
Journal of Applied Crystallography, 2008, 41, 292-301
2300196 CIF
HKL
Paper
Na O8 W2 Y0.95 Yb0.05I 41/a :25.2039; 5.2039; 11.2838
90; 90; 90
305.57Fan, Jiandong; Zhang, Huaijin; Yu, Wentao; Yu, Haohai; Wang, Jiyang; Jiang, Minhua
A Yb^3+^-doped NaY(WO~4~)~2~ crystal grown by the Czochralski technique
Journal of Applied Crystallography, 2008, 41, 584-591
2300197 CIF
HKL
Paper
F7 K2 TaP n m a10.0731; 5.9456; 12.1527
90; 90; 90
727.83Smrčok, Ľubomír; Brunelli, Michela; Boča, Miroslav; Kucharík, Marian
Structure of K~2~TaF~7~ at 993K: the combined use of synchrotron powder data and solid-state DFT calculations
Journal of Applied Crystallography, 2008, 41, 634-636
2300198 CIF
Paper
?P -16.217; 6.985; 10.506
94.686; 100.568; 98.884
440.26Morgenroth, Wolfgang; Overgaard, Jacob; Clausen, Henrik F.; Svendsen, Helle; Jørgensen, Mads R. V.; Larsen, Finn K.; Iversen, Bo B.
Helium cryostat synchrotron charge densities determined using a large CCD detector ‒ the upgraded beamline D3 at DESY
Journal of Applied Crystallography, 2008, 41, 846-853
2300199 CIFFe0.2 Mg0.8 OF m -3 m4.19971; 4.19971; 4.19971
90; 90; 90
74.073Wood, Ian G.; Vočadlo, Lidunka; Dobson, David P.; Price, G. David; Fortes, A. D.; Cooper, Frances J.; Neale, J. W.; Walker, Andrew M.; Marshall, W. G.; Tucker, M. G.; Francis, D. J.; Stone, H. J.; McCammon, C. A.
Thermoelastic properties of magnesiowüstite, (Mg~1{-~<i>x</i>}Fe~<i>x~</i>)O: determination of the Anderson‒Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures
Journal of Applied Crystallography, 2008, 41, 886-896
2300200 CIFFeI m -3 m2.8403; 2.84034; 2.84034
90; 90; 90
22.914Wood, Ian G.; Vočadlo, Lidunka; Dobson, David P.; Price, G. David; Fortes, A. D.; Cooper, Frances J.; Neale, J. W.; Walker, Andrew M.; Marshall, W. G.; Tucker, M. G.; Francis, D. J.; Stone, H. J.; McCammon, C. A.
Thermoelastic properties of magnesiowüstite, (Mg~1{-~<i>x</i>}Fe~<i>x~</i>)O: determination of the Anderson‒Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures
Journal of Applied Crystallography, 2008, 41, 886-896
2300201 CIFFe0.3 Mg0.7 OF m -3 m4.1896; 4.18955; 4.18955
90; 90; 90
73.537Wood, Ian G.; Vočadlo, Lidunka; Dobson, David P.; Price, G. David; Fortes, A. D.; Cooper, Frances J.; Neale, J. W.; Walker, Andrew M.; Marshall, W. G.; Tucker, M. G.; Francis, D. J.; Stone, H. J.; McCammon, C. A.
Thermoelastic properties of magnesiowüstite, (Mg~1{-~<i>x</i>}Fe~<i>x~</i>)O: determination of the Anderson‒Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures
Journal of Applied Crystallography, 2008, 41, 886-896
2300202 CIFFeI m -3 m2.8274; 2.8274; 2.8274
90; 90; 90
22.603Wood, Ian G.; Vočadlo, Lidunka; Dobson, David P.; Price, G. David; Fortes, A. D.; Cooper, Frances J.; Neale, J. W.; Walker, Andrew M.; Marshall, W. G.; Tucker, M. G.; Francis, D. J.; Stone, H. J.; McCammon, C. A.
Thermoelastic properties of magnesiowüstite, (Mg~1{-~<i>x</i>}Fe~<i>x~</i>)O: determination of the Anderson‒Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures
Journal of Applied Crystallography, 2008, 41, 886-896
2300203 CIFO2 ZrP 1 21/c 15.213; 4.967; 5.318
90; 100.16; 90
135.5Wood, Ian G.; Vočadlo, Lidunka; Dobson, David P.; Price, G. David; Fortes, A. D.; Cooper, Frances J.; Neale, J. W.; Walker, Andrew M.; Marshall, W. G.; Tucker, M. G.; Francis, D. J.; Stone, H. J.; McCammon, C. A.
Thermoelastic properties of magnesiowüstite, (Mg~1{-~<i>x</i>}Fe~<i>x~</i>)O: determination of the Anderson‒Grüneisen parameter by time-of-flight neutron powder diffraction at simultaneous high pressures and temperatures
Journal of Applied Crystallography, 2008, 41, 886-896
2300204 CIF
Paper
C7 H6 Cl N3 O4 S2P 14.8481; 6.359; 8.9
74.49; 83.9; 80.53
260.22Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.
A differential thermal expansion approach to crystal structure determination from powder diffraction data
Journal of Applied Crystallography, 2008, 41, 1089-1094
2300205 CIF
Paper
C7 H6 Cl N3 O4 S2P 14.8619; 6.377; 8.926
74.4; 83.93; 80.56
262.39Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.
A differential thermal expansion approach to crystal structure determination from powder diffraction data
Journal of Applied Crystallography, 2008, 41, 1089-1094
2300206 CIF
Paper
C7 H6 Cl N3 O4 S2P 14.8707; 6.3951; 8.9448
74.368; 83.786; 80.459
264.01Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.
A differential thermal expansion approach to crystal structure determination from powder diffraction data
Journal of Applied Crystallography, 2008, 41, 1089-1094
2300207 CIF
Paper
C7 H6 Cl N3 O4 S2P 14.8737; 6.4046; 8.9548
74.324; 83.751; 80.449
264.79Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.
A differential thermal expansion approach to crystal structure determination from powder diffraction data
Journal of Applied Crystallography, 2008, 41, 1089-1094
2300208 CIF
Paper
C7 H6 Cl N3 O4 S2P 14.8786; 6.4126; 8.9665
74.266; 83.693; 80.445
265.63Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.
A differential thermal expansion approach to crystal structure determination from powder diffraction data
Journal of Applied Crystallography, 2008, 41, 1089-1094
2300209 CIF
Paper
C46 H42 Fe O12P 1 21 15.857; 24.105; 14.069
90; 93.15; 90
1983.3Okabe, Takashi; Nakazaki, Keisuke; Igaue, Tsuyoshi; Nakamura, Naotake; Donnio, Bertrand; Guillon, Daniel; Gallani, Jean-Louis
Synthesis and physical properties of ferrocene derivatives. XXI. Crystal structure of a liquid crystalline ferrocene derivative, 1,1'-bis[3-[4-(4-methoxyphenoxycarbonyl)phenoxy]propyloxycarbonyl]ferrocene
Journal of Applied Crystallography, 2009, 42, 63-68
2300210 CIF
HKL
Paper
C2 H2 Ca O5P 1 21/c 16.316; 14.541; 10.116
90; 109; 90
878.4Daudon, Michel; Bazin, Dominique; André, Gilles; Jungers, Paul; Cousson, Alain; Chevallier, Pierre; Véron, Emmanuel; Matzen, Guy
Examination of whewellite kidney stones by scanning electron microscopy and powder neutron diffraction techniques
Journal of Applied Crystallography, 2009, 42, 109-115
2300211 CIF
Paper
Lu2 O5 SiI 1 2/a 110.255; 6.6465; 12.3626
90; 102.422; 90
822.91Cong, Hengjiang; Zhang, Huaijin; Wang, Jiyang; Yu, Wentao; Fan, Jiandong; Cheng, Xiufeng; Sun, Shangqian; Zhang, Jian; Lu, Qingming; Jiang, Chunjian; Boughton, Robert I.
Structural and thermal properties of the monoclinic Lu~2~SiO~5~ single crystal: evaluation as a new laser matrix
Journal of Applied Crystallography, 2009, 42, 284-294
2300212 CIF
Paper
C13 H18 O2P 1 21/c 114.6696; 7.889; 10.7287
90; 99.427; 90
1224.85Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300213 CIF
Paper
C13 H18 O2P 1 21/c 114.6712; 7.8893; 10.7288
90; 99.428; 90
1225.05Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300214 CIF
Paper
C13 H18 O2P 1 21/c 114.6662; 7.8879; 10.7275
90; 99.432; 90
1224.23Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300215 CIF
Paper
C13 H18 O2P 1 21/c 114.6689; 7.8884; 10.728
90; 99.429; 90
1224.61Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300216 CIF
Paper
C13 H18 O2P 1 21/c 114.6682; 7.8889; 10.7276
90; 99.437; 90
1224.55Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300217 CIF
Paper
C13 H18 O2P 1 21/c 114.6636; 7.8871; 10.7244
90; 99.417; 90
1223.6Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300218 CIF
Paper
C13 H18 O2P 1 21/c 114.6703; 7.889; 10.7282
90; 99.429; 90
1224.84Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300219 CIF
Paper
C13 H18 O2P 1 21/c 114.6698; 7.8878; 10.7265
90; 99.432; 90
1224.41Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300220 CIF
Paper
C13 H18 O2P 1 21/c 114.499; 7.7576; 10.6203
90; 99.741; 90
1177.3Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300221 CIF
Paper
C13 H18 O2P 1 21/c 114.6706; 7.8885; 10.7284
90; 99.426; 90
1224.81Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300222 CIF
Paper
C13 H18 O2P 1 21/c 114.6655; 7.8817; 10.724
90; 99.427; 90
1222.8Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300223 CIF
Paper
C13 H18 O2P 1 21/c 114.494; 7.7528; 10.6655
90; 99.875; 90
1180.7Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300224 CIF
Paper
C13 H18 O2P 1 21/c 114.673; 7.8892; 10.7316
90; 99.436; 90
1225.45Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300225 CIF
Paper
C13 H18 O2P 1 21/c 114.669; 7.8804; 10.7272
90; 99.439; 90
1223.3Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300226 CIF
Paper
C13 H18 O2P 1 21/c 114.528; 7.7695; 10.691
90; 99.89; 90
1188.8Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300227 CIF
Paper
C13 H18 O2P 1 21/c 114.67; 7.8886; 10.7304
90; 99.43; 90
1225Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300228 CIF
Paper
C13 H18 O2P 1 21/c 114.683; 7.86; 10.729
90; 99.456; 90
1221.4Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300229 CIF
Paper
C8 H9 N O2P 1 21/a 112.88606; 9.38115; 7.10099
90; 115.701; 90
773.484Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300230 CIF
Paper
C8 H9 N O2P 1 21/a 112.88559; 9.38013; 7.10096
90; 115.7; 90
773.38Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300231 CIF
Paper
C8 H9 N O2P 1 21/a 112.8865; 9.3822; 7.10147
90; 115.702; 90
773.65Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300232 CIF
Paper
C8 H9 N O2P 1 21/a 112.89; 9.38466; 7.10325
90; 115.702; 90
774.26Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300233 CIF
Paper
C8 H9 N O2P 1 21/a 112.8863; 9.38162; 7.10158
90; 115.701; 90
773.61Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300234 CIF
Paper
C8 H9 N O2P 1 21/a 112.8871; 9.3824; 7.1018
90; 115.703; 90
773.73Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300235 CIF
Paper
C8 H9 N O2P 1 21/a 112.8905; 9.38488; 7.10342
90; 115.701; 90
774.32Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300236 CIF
Paper
C8 H9 N O2P 1 21/a 112.887; 9.3819; 7.1015
90; 115.701; 90
773.66Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300237 CIF
Paper
C8 H9 N O2P 1 21/a 112.8858; 9.3812; 7.1013
90; 115.703; 90
773.5Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300238 CIF
Paper
C8 H9 N O2P 1 21/a 112.889; 9.38347; 7.10271
90; 115.702; 90
774.04Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300239 CIF
Paper
C8 H9 N O2P 1 21/a 112.8856; 9.3812; 7.10114
90; 115.697; 90
773.5Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300240 CIF
Paper
C8 H9 N O2P 1 21/a 112.8844; 9.3824; 7.1025
90; 115.709; 90
773.6Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300241 CIF
Paper
C8 H9 N O2P 1 21/a 112.8887; 9.384; 7.1025
90; 115.702; 90
774.05Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300242 CIF
Paper
C8 H9 N O2P 1 21/a 112.8869; 9.3833; 7.1022
90; 115.706; 90
773.82Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300243 CIF
Paper
C8 H9 N O2P 1 21/a 112.656; 9.564; 7.236
90; 117.1; 90
779.7Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300244 CIF
Paper
C8 H9 N O2P 1 21/a 112.885; 9.3862; 7.1008
90; 115.714; 90
773.8Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300245 CIF
Paper
C8 H9 N O2P 1 21/a 112.864; 9.354; 7.104
90; 115.83; 90
769.4Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Implementation and use of robust refinement in powder diffraction in the presence of impurities
Journal of Applied Crystallography, 2009, 42, 385-391
2300246 CIFCo Li O4 PP n m a10.202; 5.918; 4.709
90; 90; 90
284.3Kimura, Tsunehisa; Chang, Chengkang; Kimura, Fumiko; Maeyama, Masataka
The pseudo-single-crystal method: a third approach to crystal structure determination
Journal of Applied Crystallography, 2009, 42, 535-537
2300247 CIFDP 1 21/n 17.78366; 6.72568; 6.07443
90; 102.104; 90
310.929Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.
Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa
Journal of Applied Crystallography, 2009, 42, 846-866
2300248 CIFDP b c a18.8679; 6.94772; 6.85885
90; 90; 90
899.12Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.
Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa
Journal of Applied Crystallography, 2009, 42, 846-866
2300249 CIFD2 OR -3 :H12.87078; 12.87078; 6.1827
90; 90; 120
886.99Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.
Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa
Journal of Applied Crystallography, 2009, 42, 846-866
2300250 CIFAlF m -3 m4.03702; 4.03702; 4.03702
90; 90; 90
65.793Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.
Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa
Journal of Applied Crystallography, 2009, 42, 846-866
2300251 CIFD2 OP 41 21 26.6748; 6.67484; 6.6838
90; 90; 90
297.78Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.
Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa
Journal of Applied Crystallography, 2009, 42, 846-866
2300252 CIFC WP -6 m 22.9016; 2.90156; 2.83867
90; 90; 120
20.697Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.
Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa
Journal of Applied Crystallography, 2009, 42, 846-866
2300253 CIFDP n c n12.5626; 6.6513; 6.3788
90; 90; 90
533Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.
Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa
Journal of Applied Crystallography, 2009, 42, 846-866
2300254 CIFD2 OR -3 :H12.8396; 12.8396; 6.1628
90; 90; 120
879.86Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.
Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa
Journal of Applied Crystallography, 2009, 42, 846-866
2300255 CIFD10 O5P 42/n m c :26.186; 6.186; 5.7157
90; 90; 90
218.72Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.
Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa
Journal of Applied Crystallography, 2009, 42, 846-866
2300256 CIFPbF m -3 m4.9108; 4.91075; 4.91075
90; 90; 90
118.426Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.
Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa
Journal of Applied Crystallography, 2009, 42, 846-866
2300257 CIFDI -4 2 d8.15; 8.15; 4
90; 90; 90
265.69Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.
Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa
Journal of Applied Crystallography, 2009, 42, 846-866
2300258 CIFCa H4 O6 SC 1 2/c 16.28689; 15.2131; 6.52996
90; 127.43; 90
495.95Henry, Paul F.; Weller, Mark T.; Wilson, Chick C.
Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum
Journal of Applied Crystallography, 2009, 42, 1176-1188
2300259 CIFCa H4 O6 SI 1 2/c 15.68021; 15.2139; 6.53032
90; 118.484; 90
496.03Henry, Paul F.; Weller, Mark T.; Wilson, Chick C.
Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum
Journal of Applied Crystallography, 2009, 42, 1176-1188
2300260 CIFC D7 N OP b c a11.0232; 7.66076; 7.59127
90; 90; 90
641.053Fortes, A. D.; Wood, I. G.; Knight, K. S.
The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Journal of Applied Crystallography, 2009, 42, 1054-1061
2300261 CIFC D7 N OP b c a11.21169; 7.74663; 7.68077
90; 90; 90
667.096Fortes, A. D.; Wood, I. G.; Knight, K. S.
The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Journal of Applied Crystallography, 2009, 42, 1054-1061
2300262 CIF
HKL
Paper
C17 H30 F N3 O9P -19.507; 9.9649; 11.0233
94.182; 100.118; 91.432
1024.57Dittrich, B.; Hübschle, C. B.; Holstein, J. J.; Fabbiani, F. P. A.
Towards extracting the charge density from normal-resolution data
Journal of Applied Crystallography, 2009, 42, 1110-1121
2300263 CIF
Paper
C17 H21.8 Cl F N3 O4.4P 1 21/c 112.872; 19.576; 6.948
90; 90.55; 90
1750.7Dittrich, B.; Hübschle, C. B.; Holstein, J. J.; Fabbiani, F. P. A.
Towards extracting the charge density from normal-resolution data
Journal of Applied Crystallography, 2009, 42, 1110-1121
2300264 CIFC12 H22 O11P 1 21 17.7735; 8.7169; 10.8765
90; 102.936; 90
718.3Kimura, Fumiko; Kimura, Tsunehisa; Oshima, Wataru; Maeyama, Masataka; Aburaya, Kazuaki
X-ray diffraction study of a pseudo single crystal prepared from a crystal belonging to point group 2
Journal of Applied Crystallography, 2010, 43, 151-153
2300265 CIF
Paper
C15 H14 Br N5 O2P -111.479; 14.738; 4.476
93.65; 94.16; 93.71
751.9Lasocha, W.; Gaweł, B.; Rafalska-Lasocha, A.; Pawłowski, M.; Talik, P.; Paszkowicz, W.
Crystal structure study of selected xanthine derivatives
Journal of Applied Crystallography, 2010, 43, 163-167
2300266 CIFC D7 N OP b c a11.0386; 7.65471; 7.58467
90; 90; 90
640.88Fortes, A. D.; Wood, I. G.; Knight, K. S.
The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Journal of Applied Crystallography, 2010, 43, 328-336
2300267 CIFC2 D11 N O2P n 21 a12.70615; 8.84589; 4.73876
90; 90; 90
532.623Fortes, A. D.; Wood, I. G.; Knight, K. S.
The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Journal of Applied Crystallography, 2010, 43, 328-336
2300268 CIFC D7 N OP b c a11.20962; 7.74564; 7.6781
90; 90; 90
666.66Fortes, A. D.; Wood, I. G.; Knight, K. S.
The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Journal of Applied Crystallography, 2010, 43, 328-336
2300269 CIFC2 D11 N O2P n 21 a12.90413; 8.96975; 4.79198
90; 90; 90
554.656Fortes, A. D.; Wood, I. G.; Knight, K. S.
The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Journal of Applied Crystallography, 2010, 43, 328-336
2300270 CIFC10 H13 N O3P 1 21/n 113.00247; 6.86966; 11.51889
90; 108.329; 90
976.695Pagola, Silvina; Stephens, Peter W.
<i>PSSP</i>, a computer program for the crystal structure solution of molecular materials from X-ray powder diffraction data
Journal of Applied Crystallography, 2010, 43, 370-376
2300271 CIFC8 H10 O2P 1 21/n 19.8417; 15.4813; 4.8422
90; 101.258; 90
723.57Pagola, Silvina; Stephens, Peter W.
<i>PSSP</i>, a computer program for the crystal structure solution of molecular materials from X-ray powder diffraction data
Journal of Applied Crystallography, 2010, 43, 370-376
2300272 CIFC2 H4 N4 SP 1 21/a 19.849; 12.3828; 3.99952
90; 102.126; 90
476.891Pagola, Silvina; Stephens, Peter W.
<i>PSSP</i>, a computer program for the crystal structure solution of molecular materials from X-ray powder diffraction data
Journal of Applied Crystallography, 2010, 43, 370-376
2300273 CIF
Paper
Ca5 H O13 P3P 63/m9.421; 9.421; 6.88
90; 90; 120
528.826Veselinović, Ljiljana; Karanović, Ljiljana; Stojanović, Zoran; Bračko, Ines; Marković, Smilja; Ignjatović, Nenad; Uskoković, Dragan
Crystal structure of cobalt-substituted calcium hydroxyapatite nanopowders prepared by hydrothermal processing
Journal of Applied Crystallography, 2010, 43, 320-327
2300274 CIF
Paper
?P 63/m9.417; 9.417; 6.867
90; 90; 120
527.38Veselinović, Ljiljana; Karanović, Ljiljana; Stojanović, Zoran; Bračko, Ines; Marković, Smilja; Ignjatović, Nenad; Uskoković, Dragan
Crystal structure of cobalt-substituted calcium hydroxyapatite nanopowders prepared by hydrothermal processing
Journal of Applied Crystallography, 2010, 43, 320-327
2300275 CIF
Paper
?P 63/m9.4039; 9.4039; 6.8526
90; 90; 120
524.81Veselinović, Ljiljana; Karanović, Ljiljana; Stojanović, Zoran; Bračko, Ines; Marković, Smilja; Ignjatović, Nenad; Uskoković, Dragan
Crystal structure of cobalt-substituted calcium hydroxyapatite nanopowders prepared by hydrothermal processing
Journal of Applied Crystallography, 2010, 43, 320-327
2300276 CIF
Paper
?P 63/m9.4109; 9.4109; 6.8456
90; 90; 120
525.05Veselinović, Ljiljana; Karanović, Ljiljana; Stojanović, Zoran; Bračko, Ines; Marković, Smilja; Ignjatović, Nenad; Uskoković, Dragan
Crystal structure of cobalt-substituted calcium hydroxyapatite nanopowders prepared by hydrothermal processing
Journal of Applied Crystallography, 2010, 43, 320-327
2300277 CIF
Paper
?P 63/m9.4072; 9.4072; 6.84
90; 90; 120
524.21Veselinović, Ljiljana; Karanović, Ljiljana; Stojanović, Zoran; Bračko, Ines; Marković, Smilja; Ignjatović, Nenad; Uskoković, Dragan
Crystal structure of cobalt-substituted calcium hydroxyapatite nanopowders prepared by hydrothermal processing
Journal of Applied Crystallography, 2010, 43, 320-327
2300278 CIF
Paper
La O4 VP 1 21/n 17.0492; 7.2827; 6.725
90; 104.901; 90
333.63Cong, Hengjiang; Zhang, Huaijin; Sun, Shangqian; Yu, Yonggui; Yu, Wentao; Yu, Haohai; Zhang, Jian; Wang, Jiyang; Boughton, Robert I.
Morphological study of Czochralski-grown lanthanide orthovanadate single crystals and implications on the mechanism of bulk spiral formation
Journal of Applied Crystallography, 2010, 43, 308-319
2300279 CIFCo0.15 Cr0.42 Mn0.19 OF d -3 m :28.3777; 8.3777; 8.3777
90; 90; 90
588Purwanto, A.; Fajar, A.; Mugirahardjo, H.; Fergus, J. W.; Wang, K.
Cation distribution in spinel (Mn,Co,Cr)~3~O~4~ at room temperature
Journal of Applied Crystallography, 2010, 43, 394-400
2300280 CIFCo0.43 Mn0.32 OF d -3 m :28.2685; 8.2685; 8.2685
90; 90; 90
565.3Purwanto, A.; Fajar, A.; Mugirahardjo, H.; Fergus, J. W.; Wang, K.
Cation distribution in spinel (Mn,Co,Cr)~3~O~4~ at room temperature
Journal of Applied Crystallography, 2010, 43, 394-400
2300281 CIFCo0.23 Mn0.52 OI 41/a m d :25.7184; 5.7184; 9.2079
90; 90; 90
301.1Purwanto, A.; Fajar, A.; Mugirahardjo, H.; Fergus, J. W.; Wang, K.
Cation distribution in spinel (Mn,Co,Cr)~3~O~4~ at room temperature
Journal of Applied Crystallography, 2010, 43, 394-400
2300282 CIFCo0.33 Mn0.42 OF d -3 m :28.3015; 8.3015; 8.3015
90; 90; 90
572.1Purwanto, A.; Fajar, A.; Mugirahardjo, H.; Fergus, J. W.; Wang, K.
Cation distribution in spinel (Mn,Co,Cr)~3~O~4~ at room temperature
Journal of Applied Crystallography, 2010, 43, 394-400
2300283 CIF
Paper
F2 O TiR -3 c :H5.3325; 5.3325; 13.2321
90; 90; 120
325.853Shian, Samuel; Sandhage, Kenneth H.
Hexagonal and cubic TiOF~2~
Journal of Applied Crystallography, 2010, 43, 757-761
2300284 CIF
Paper
Ni0.9 O Zn0.1F m -3 m4.18564; 4.18564; 4.18564
90; 90; 90
73.3307Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo
Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O
Journal of Applied Crystallography, 2010, 43, 699-709
2300285 CIF
Paper
Ni0.9 O Zn0.1F m -3 m4.18419; 4.18419; 4.18419
90; 90; 90
73.2545Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo
Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O
Journal of Applied Crystallography, 2010, 43, 699-709
2300286 CIF
Paper
Ni0.9 O Zn0.1F m -3 m4.18455; 4.18455; 4.18455
90; 90; 90
73.2734Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo
Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O
Journal of Applied Crystallography, 2010, 43, 699-709
2300287 CIF
Paper
Ni0.9 O Zn0.1F m -3 m4.188219; 4.188219; 4.188219
90; 90; 90
73.4663Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo
Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O
Journal of Applied Crystallography, 2010, 43, 699-709
2300288 CIF
Paper
Ni0.9 O Zn0.1F m -3 m4.188195; 4.188195; 4.188195
90; 90; 90
73.465Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo
Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O
Journal of Applied Crystallography, 2010, 43, 699-709
2300289 CIF
Paper
Fe2 Ni O4F d -3 m :28.35966; 8.35966; 8.35966
90; 90; 90
584.206Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo
Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O
Journal of Applied Crystallography, 2010, 43, 699-709
2300290 CIF
Paper
Ni0.9 O Zn0.1R -3 m :H2.95403; 2.95403; 7.2801
90; 90; 120
55.017Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo
Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O
Journal of Applied Crystallography, 2010, 43, 699-709
2300291 CIF
Paper
Ni0.9 O Zn0.1R -3 m :H2.95557; 2.95557; 7.2626
90; 90; 120
54.942Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo
Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O
Journal of Applied Crystallography, 2010, 43, 699-709
2300292 CIF
Paper
Ni0.9 O Zn0.1R -3 m :H2.95546; 2.95546; 7.2665
90; 90; 120
54.968Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo
Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O
Journal of Applied Crystallography, 2010, 43, 699-709
2300293 CIF
Paper
Ni0.9 O Zn0.1R -3 m :H2.96064; 2.96064; 7.2592
90; 90; 120
55.105Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo
Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O
Journal of Applied Crystallography, 2010, 43, 699-709
2300294 CIF
Paper
Ni0.9 O Zn0.1R -3 m :H2.9607; 2.9607; 7.25817
90; 90; 120
55.0994Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo
Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O
Journal of Applied Crystallography, 2010, 43, 699-709
2300295 CIF
Paper
Fe2 Ni O4F d -3 m :28.35966; 8.35966; 8.35966
90; 90; 90
584.206Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo
Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O
Journal of Applied Crystallography, 2010, 43, 699-709
2300296 CIF
Paper
O2 ZrP 1 21/c 15.1477; 5.2096; 5.3164
90; 99.215; 90
140.732Suzuki-Muresan, T.; Deniard, P.; Gautron, E.; Petříček, V.; Jobic, S.; Grambow, B.
Minimization of absorption contrast for accurate amorphous phase quantification: application to ZrO~2~ nanoparticles
Journal of Applied Crystallography, 2010, 43, 1092-1099
2300297 CIF
Paper
O1.985 Y0.03 Zr0.97P 42/n m c S3.6244; 3.6244; 5.156
90; 90; 90
67.731Suzuki-Muresan, T.; Deniard, P.; Gautron, E.; Petříček, V.; Jobic, S.; Grambow, B.
Minimization of absorption contrast for accurate amorphous phase quantification: application to ZrO~2~ nanoparticles
Journal of Applied Crystallography, 2010, 43, 1092-1099
2300298 CIF
Paper
O1.985 Y0.03 Zr0.97P 42/n m c S3.6132; 3.6132; 5.1649
90; 90; 90
67.429Suzuki-Muresan, T.; Deniard, P.; Gautron, E.; Petříček, V.; Jobic, S.; Grambow, B.
Minimization of absorption contrast for accurate amorphous phase quantification: application to ZrO~2~ nanoparticles
Journal of Applied Crystallography, 2010, 43, 1092-1099
2300299 CIF
Paper
Sb10 Te3R -3 m :H4.289; 4.289; 75.51
90; 90; 120
1202.9Schneider, Matthias N.; Seibald, Markus; Lagally, Patrick; Oeckler, Oliver
Ambiguities in the structure determination of antimony tellurides arising from almost homometric structure models and stacking disorder
Journal of Applied Crystallography, 2010, 43, 1012-1020
2300300 CIFPb0.18 Sb7.82 Te3R -3 m :H4.2874; 4.2874; 64.3
90; 90; 120
1023.6Schneider, Matthias N.; Seibald, Markus; Lagally, Patrick; Oeckler, Oliver
Ambiguities in the structure determination of antimony tellurides arising from almost homometric structure models and stacking disorder
Journal of Applied Crystallography, 2010, 43, 1012-1020
2300301 CIFC6 H6 Cl N O6P 1 21/c 15.5046; 13.574; 17.423
90; 137.919; 90
872.5Ye, Heng-Yun; Cai, Hong-Ling; Ge, Jia-Zeng; Xiong, Ren-Gen
Reversible structural phase transition of pyridinium-4-carboxylic acid perchlorate
Journal of Applied Crystallography, 2010, 43, 1031-1035
2300302 CIFC6 H6 Cl N O6P 1 21/c 117.356; 13.241; 16.161
90; 138.055; 90
2482.5Ye, Heng-Yun; Cai, Hong-Ling; Ge, Jia-Zeng; Xiong, Ren-Gen
Reversible structural phase transition of pyridinium-4-carboxylic acid perchlorate
Journal of Applied Crystallography, 2010, 43, 1031-1035
2300303 CIF
Paper
C6 H6 N2 O2P c a 2118.7169; 6.5215; 5.0014
90; 90; 90
610.48Probert, Michael R.; Robertson, Craig M.; Coome, Jonathan A.; Howard, Judith A. K.; Michell, Brian C.; Goeta, Andrés E.
The XIPHOS diffraction facility for extreme sample conditions
Journal of Applied Crystallography, 2010, 43, 1415-1418
2300304 CIF
Paper
C14 H14 O2 SP -14.736; 10.819; 12.206
89.727; 78.904; 89.977
613.7Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300305 CIF
Paper
C14 H14 O2 SC 1 2/c 124.003; 4.7435; 10.8255
90; 90.185; 90
1232.6Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300306 CIF
Paper
C14 H14 O2 SC 1 2/c 124.012; 4.7429; 10.8321
90; 90.197; 90
1233.6Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300307 CIF
Paper
C14 H11 F N2 SP 1 21/c 110.1; 11.365; 11.3
90; 97.464; 90
1286.1Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300309 CIF
Paper
C14 H11 F N2 SP 1 21/c 110.1414; 11.3865; 11.3289
90; 97.4; 90
1297.31Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300310 CIF
Paper
C14 H11 F N2 SP 1 21/c 110.1385; 11.3898; 11.3325
90; 97.467; 90
1297.5Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300311 CIF
Paper
C14 H11 F N2 SP 1 21/c 110.1375; 11.3871; 11.3412
90; 97.482; 90
1298Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300312 CIF
Paper
C14 H11 F N2 SP 1 21/c 110.137; 11.413; 11.345
90; 97.465; 90
1301.4Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300313 CIF
Paper
C17 H20 Cl2 N2 PdP 1 21/c 19.356; 9.9295; 19.357
90; 90.47; 90
1798.2Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300314 CIF
Paper
C17 H20 Cl2 N2 PdP 1 21/c 19.356; 9.9295; 19.357
90; 90.47; 90
1798.2Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300315 CIF
Paper
C16 H18 Cl2 N2 PdP -18.5305; 9.6211; 10.988
72.593; 78.78; 83.039
842.2Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300316 CIF
Paper
C16 H18 Cl2 N2 PdP -18.5305; 9.6211; 10.988
72.593; 78.78; 83.039
842.2Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300317 CIF
Paper
C13 H10 O SP 1 21/n 18.007; 16.958; 8.031
90; 95.097; 90
1086.2Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300318 CIF
Paper
C13 H10 O SP 1 21/n 18.007; 16.958; 8.031
90; 95.097; 90
1086.2Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300319 CIF
Paper
C12 H16 O3P 1 21/c 18.894; 16.22; 7.742
90; 90.214; 90
1116.9Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300320 CIF
Paper
C12 H16 O3P 1 21/c 18.894; 16.22; 7.742
90; 90.214; 90
1116.9Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300321 CIF
Paper
C13 H18 N2 O3 SP 1 21/c 112.8651; 15.3291; 7.1435
90; 93.379; 90
1406.3Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300322 CIF
Paper
C13 H18 N2 O3 SP 1 21/c 112.8651; 15.3291; 7.1435
90; 93.379; 90
1406.3Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300323 CIF
Paper
C21 H21 N O3 S2P 1 21/c 111.7771; 11.4544; 14.9031
90; 95.945; 90
1999.6Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300324 CIF
Paper
C21 H21 N O3 S2P 1 21/c 111.7937; 11.4816; 14.9358
90; 95.972; 90
2011.5Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300325 CIF
Paper
C21 H21 N O3 S2P 1 21/c 111.7937; 11.4816; 14.9358
90; 95.972; 90
2011.5Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300326 CIF
Paper
C13 H10 F2 O SP c a 218.3649; 5.5063; 25.129
90; 90; 90
1157.4Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300327 CIF
Paper
C15 H12 N2 OP 1 21/n 17.55; 11.186; 13.954
90; 92.938; 90
1176.9Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300328 CIF
Paper
C13 H10 I N O2 SP -17.4946; 7.7421; 11.4816
95.418; 103.879; 96.985
636.65Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300329 CIF
Paper
C13 H10 I N O2 SP -17.5076; 7.76; 11.507
95.317; 103.999; 97.013
640.4Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300330 CIF
Paper
C13 H10 I N O2 SP -17.5076; 7.76; 11.507
95.317; 103.999; 97.013
640.4Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300331 CIF
Paper
C7 H5 N O3 SP 1 21/c 19.583; 6.9252; 11.8518
90; 103.815; 90
763.78Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300332 CIF
Paper
C7 H5 N O3 SP 1 21/c 19.6083; 6.9347; 11.882
90; 103.834; 90
768.7Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300333 CIF
Paper
C7 H0 N O3 SP 1 21/c 19.6083; 6.9347; 11.882
90; 103.834; 90
768.7Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300334 CIF
Paper
C6 H5 I N2 O2P 1 21/c 17.7617; 12.912; 15.663
90; 95.141; 90
1563.4Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300335 CIF
Paper
C12 H6 I2 N4 O4P 1 21/c 17.7617; 12.912; 15.663
90; 95.141; 90
1563.4Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300336 CIF
Paper
C15 H14 N2 O2 SP 21 21 217.7598; 9.9684; 18.231
90; 90; 90
1410.2Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300338 CIF
Paper
C15 H14 N2 O2 SP 21 21 217.7592; 9.9677; 18.23
90; 90; 90
1409.9Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300339 CIF
Paper
C17 H23 N3 O5 S2P 1 21/n 17.811; 17.503; 15.892
90; 103.305; 90
2114Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300341 CIF
Paper
C17 H23 N3 O5 S2P 1 21/n 17.811; 17.503; 15.892
90; 103.305; 90
2114Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300342 CIF
Paper
C7 H12 N4 O3 SP 1 21 15.6095; 7.3299; 12.491
90; 93.297; 90
512.74Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300344 CIF
Paper
C7 H12 N4 O3 SP 1 21 15.6245; 7.354; 12.521
90; 93.445; 90
517Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300345 CIF
Paper
C7 H8 N4 O SP 1 21 15.6245; 7.354; 12.521
90; 93.445; 90
517Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300346 CIF
Paper
C25 H22 N O P SP -110.2699; 11.1605; 11.1911
85.945; 67.75; 70.671
1118.07Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300347 CIF
Paper
C25 H22 N O P SP -110.2699; 11.1605; 11.1911
85.945; 67.75; 70.671
1118.07Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300348 CIF
Paper
C13 H13 N O2 SP -110.259; 11.05; 13.38
67.808; 87.291; 67.435
1288.4Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300349 CIF
Paper
C13 H13 N O2 SP -110.289; 11.0563; 13.4402
67.823; 87.573; 67.616
1299.9Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300351 CIF
Paper
C13 H12 N O2 SP -110.289; 11.0563; 13.4402
67.823; 87.573; 67.616
1299.9Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.
Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?
Journal of Applied Crystallography, 2011, 44, 213-215
2300352 CIF
Paper
Fe Li O4 PP n m a10.4008; 6.0523; 4.7324
90; 90; 90
297.91Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo
Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles
Journal of Applied Crystallography, 2011, 44, 287-294
2300353 CIF
Paper
Fe0.75 Li Mn0.25 O4 PP n m a10.3789; 6.0394; 4.7211
90; 90; 90
295.931Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo
Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles
Journal of Applied Crystallography, 2011, 44, 287-294
2300354 CIF
Paper
Fe0.5 Li Mn0.5 O4 PP n m a10.4072; 6.06188; 4.73357
90; 90; 90
298.628Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo
Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles
Journal of Applied Crystallography, 2011, 44, 287-294
2300355 CIF
Paper
Fe0.25 Li Mn0.75 O4 PP n m a10.4303; 6.08084; 4.74531
90; 90; 90
300.971Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo
Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles
Journal of Applied Crystallography, 2011, 44, 287-294
2300356 CIF
Paper
C2 H6 O6P 1 21/n 16.0514; 3.5482; 11.996
90; 106.26; 90
247.27Chakoumakos, Bryan C.; Cao, Huibo; Ye, Feng; Stoica, Alexandru D.; Popovici, Mihai; Sundaram, Madhan; Zhou, Wenduo; Hicks, J. Steve; Lynn, Gary W.; Riedel, Richard A.
Four-circle single-crystal neutron diffractometer at the High Flux Isotope Reactor
Journal of Applied Crystallography, 2011, 44, 655-658
2300357 CIF
Paper
C6 H24 N8 Ni O6P 63 2 28.8647; 8.8647; 11.3595
90; 90; 120
773.07Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán
Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem
Journal of Applied Crystallography, 2011, 44, 763-771
2300358 CIF
Paper
C6 H24 N8 Ni O6P 63 2 28.8647; 8.8647; 11.3595
90; 90; 120
773.07Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán
Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem
Journal of Applied Crystallography, 2011, 44, 763-771
2300359 CIF
Paper
C6 H24 N8 Ni O6P 61 2 28.806; 8.806; 33.147
90; 90; 120
2226Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán
Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem
Journal of Applied Crystallography, 2011, 44, 763-771
2300360 CIF
Paper
C6 H24 N8 Ni O6P 61 2 28.806; 8.806; 33.147
90; 90; 120
2226Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán
Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem
Journal of Applied Crystallography, 2011, 44, 763-771
2300361 CIF
Paper
C6 H24 N8 Ni O6P 63 2 28.8647; 8.8647; 11.3595
90; 90; 120
773.07Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán
Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem
Journal of Applied Crystallography, 2011, 44, 763-771
2300362 CIF
Paper
C8 H14 N2 O8C 1 2/c 115.805; 5.6535; 12.126
90; 107.55; 90
1033.1Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán
Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem
Journal of Applied Crystallography, 2011, 44, 763-771
2300363 CIF
Paper
C8 H14 N2 O8C 1 2/c 115.8205; 5.68202; 12.09246
90; 107.333; 90
1037.66Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán
Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem
Journal of Applied Crystallography, 2011, 44, 763-771
2300364 CIF
Paper
C8 H14 N2 O8C 1 2/c 115.82035; 5.68088; 12.09343
90; 107.332; 90
1037.53Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán
Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem
Journal of Applied Crystallography, 2011, 44, 763-771
2300365 CIF
HKL
Ge O2P 31 2 14.989; 4.989; 5.6527
90; 90; 120
121.847Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe
Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals
Journal of Applied Crystallography, 2012, 45, 272-278
2300366 CIFGe0.97 O2 Si0.03P 32 2 14.983; 4.983; 5.6339
90; 90; 120
121.149Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe
Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals
Journal of Applied Crystallography, 2012, 45, 272-278
2300367 CIFGe0.96 O2 Si0.04P 31 2 14.9805; 4.9805; 5.627
90; 90; 120
120.88Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe
Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals
Journal of Applied Crystallography, 2012, 45, 272-278
2300368 CIF
HKL
Ge0.9 O2 Si0.1P 32 2 14.97517; 4.97517; 5.60565
90; 90; 120
120.163Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe
Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals
Journal of Applied Crystallography, 2012, 45, 272-278
2300369 CIF
HKL
Ge0.83 O2 Si0.17P 31 2 14.9707; 4.9707; 5.5873
90; 90; 120
119.555Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe
Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals
Journal of Applied Crystallography, 2012, 45, 272-278
2300370 CIFO2 SiP 32 2 14.91636; 4.91636; 5.4084
90; 90; 120
113.211Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe
Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals
Journal of Applied Crystallography, 2012, 45, 272-278
2300371 CIF
HKL
Paper
C9 H13 N3 O5P 21 21 215.0784; 13.9046; 14.6992
90; 90; 90
1037.96Coome, J. A.; Goeta, A. E.; Howard, J. A. K.; Probert, M. R.
<i>Masquerade</i>: removing non-sample scattering from integrated reflection intensities
Journal of Applied Crystallography, 2012, 45, 292-298
2300372 CIF
HKL
Paper
C17 H14 OP b c a15.4307; 10.2659; 16.4124
90; 90; 90
2599.9Rajasekar, M.; Muthu, K.; Bhagavannarayana, G.; Meenakshisundaram, S. P.
Synthesis, structure, growth and characterization of an organic crystal: 1,5-diphenylpenta-2,4-dien-1-one
Journal of Applied Crystallography, 2012, 45, 914-920
2300373 CIF
Paper
H18 O12 SI 1 2 17.44247; 7.445; 26.1168
90; 125.043; 90
1184.78Maynard-Casely, Helen E.; Brand, Helen E. A.; Wallwork, Kia S.
Structure and thermal expansion of sulfuric acid octahydrate
Journal of Applied Crystallography, 2012, 45, 1198-1207
2300374 CIF
Paper
C25 H30 N4 O3P 21 21 2135.9422; 12.91819; 4.99532
90; 90; 90
2319.37Bushmarinov, Ivan S.; Dmitrienko, Artem O.; Korlyukov, Alexander A.; Antipin, Mikhail Yu.
Rietveld refinement and structure verification using `Morse' restraints
Journal of Applied Crystallography, 2012, 45, 1187-1197
2300375 CIF
Paper
Al2 O3R -3 c :H4.76029; 4.76029; 12.992
90; 90; 120
254.96Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka
High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi
Journal of Applied Crystallography, 2013, 46, 14-24
2300376 CIF
Paper
Ni SiP 21 34.49678; 4.49678; 4.49678
90; 90; 90
90.9295Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka
High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi
Journal of Applied Crystallography, 2013, 46, 14-24
2300377 CIF
Paper
Ni SiP m m n :23.2735; 3.02662; 4.69776
90; 90; 90
46.544Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka
High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi
Journal of Applied Crystallography, 2013, 46, 14-24
2300378 CIFAg3 MgF m -3 m4.1526; 4.1526; 4.1526
90; 90; 90
71.608Laine, E.; Tarne, T.; Haemaelaeinen, M.
Thermal expansion of the Ag3 Mg alloy in the ordered and disordered states
Journal of Applied Crystallography, 1969, 2, 95-101
2300379 CIFB Lu O3R -3 c :H4.9153; 4.9153; 16.212
90; 90; 120
339.209Bernstein, J.L.; Keve, E.T.; Abrahams, S.C.
Application of Normal Probability Plot Analysis to Lutetium Orthoborate Structure Factors and Parameters
Journal of Applied Crystallography, 1971, 4, 284-290
2300380 CIF
Paper
C15 H4 Cu2 O10F m -3 m26.3034; 26.3034; 26.3034
90; 90; 90
18198.5Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai
Generation and applications of structure envelopes for porous metal‒organic frameworks
Journal of Applied Crystallography, 2013, 46, 346-353
2300381 CIF
Paper
C33 H4 Cu2 O10F m -3 m26.3167; 26.3167; 26.3167
90; 90; 90
18226.1Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai
Generation and applications of structure envelopes for porous metal‒organic frameworks
Journal of Applied Crystallography, 2013, 46, 346-353
2300382 CIF
Paper
C8.5 H7 Cu N5 O2C 1 2/c 128.697; 9.2637; 9.3223
90; 116.087; 90
2225.8Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai
Generation and applications of structure envelopes for porous metal‒organic frameworks
Journal of Applied Crystallography, 2013, 46, 346-353
2300383 CIF
Paper
C356 H32 Y4C m c 2111.22205; 34.8174; 11.22569
90; 90; 90
4386.13Maki, Sachiko; Nishibori, Eiji; Kawaguchi, Daisuke; Sakata, Makoto; Takata, Masaki; Inoue, Takashi; Shinohara, Hisanori
Element-selective charge density visualization of endohedral metallofullerenes using synchrotron X-ray multi-wavelength anomalous powder diffraction data
Journal of Applied Crystallography, 2013, 46, 649-655
2300384 CIF
HKL
C13 H10 OP 21 21 217.979; 10.274; 12.103
90; 90; 90
992.2Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H.
Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone
Journal of Applied Crystallography, 2013, 46, 656-662
2300385 CIF
HKL
C13 H10 OP 21 21 217.7145; 10.2301; 12.0269
90; 90; 90
949.2Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H.
Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone
Journal of Applied Crystallography, 2013, 46, 656-662
2300386 CIFC13 H10 OP 21 21 217.9958; 10.2907; 12.174
90; 90; 90
1001.7Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H.
Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone
Journal of Applied Crystallography, 2013, 46, 656-662
2300387 CIF
HKL
Paper
B3 Ba5 F O9P n m a7.60788; 14.8299; 10.2865
90; 90; 90
1160.57Rashchenko, Sergey V.; Bekker, Tatyana B.; Bakakin, Vladimir V.; Seryotkin, Yurii V.; Kokh, Alexander E.; Gille, Peter; Popov, Arthur I.; Fedorov, Pavel P.
A new mechanism of anionic substitution in fluoride borates
Journal of Applied Crystallography, 2013, 46, 1081-1084
2300388 CIF
Paper
As0.84 Cu1.08 Mn0.94P 4/n m m :23.82; 3.82; 6.318
90; 90; 90
92.2Wadley, P.; Crespi, A.; Gázquez, J.; Roldán, M.A.; García, P.; Novak, V.; Campion, R.; Jungwirth, T.; Rinaldi, C.; Martí, X.; Holy, V.; Frontera, C.; Rius, J.
Obtaining the structure factors for an epitaxial film using Cu X-ray radiation
Journal of Applied Crystallography, 2013, 46, 1749-1754
2300389 CIFC33 H33 N3 O6 Pd S3P 1 21/c 18.5627; 10.4508; 35.5429
90; 94.294; 90
3171.7Coles, Simon J.; Hursthouse, Michael B.
Focusing optics for molybdenum radiation: a bright laboratory source for small-molecule crystallography
Journal of Applied Crystallography, 2004, 37, 988
2300390 CIFC33 H33 N3 O6 Pd S3P 1 21/c 18.5467; 10.4343; 35.4794
90; 94.325; 90
3155Coles, Simon J.; Hursthouse, Michael B.
Focusing optics for molybdenum radiation: a bright laboratory source for small-molecule crystallography
Journal of Applied Crystallography, 2004, 37, 988
2300391 CIFB12 Cs2 Li2 O20I -4 2 d10.467; 10.467; 8.922
90; 90; 90
977.48Herreros-Cedrés, Javier; Hernández-Rodriguez, Cecilio; Kaminsky, Werner
Absolute optical rotation of CsLiB6O10
Journal of Applied Crystallography, 2005, 38, 544
2300392 CIFC10 H16 N O1.5P 21 21 217.3188; 11.2018; 24.0156
90; 90; 90
1968.89Krebs, Frederik C.; Jørgensen, Mikkel; Lebech, Bente; Frydenvang, Karla
A perdeuterated cryoprotectant for neutron studies and a demonstration of its use for neutron powder diffraction onL-(−)-ephedrine hemihydrate
Journal of Applied Crystallography, 2001, 34, 203
2300393 CIFC10 H16 N O1.5P 21 21 217.3105; 11.1878; 23.979
90; 90; 90
1961.2Krebs, Frederik C.; Jørgensen, Mikkel; Lebech, Bente; Frydenvang, Karla
A perdeuterated cryoprotectant for neutron studies and a demonstration of its use for neutron powder diffraction onL-(−)-ephedrine hemihydrate
Journal of Applied Crystallography, 2001, 34, 203
2300442 CIFGd K O8 W2C 1 2/c 110.652; 10.374; 7.582
90; 130.8; 90
634.2Pujol, M. C.; Solé, R.; Massons, J.; Gavaldà, Jna.; Solans, X.; Zaldo, C.; Díaz, F.; Aguiló, M.
Structural study of monoclinic KGd(WO4)2and effects of lanthanide substitution
Journal of Applied Crystallography, 2001, 34, 1
2300443 CIFC12 H24 B2 F8 Fe N24P 1 21/n 117.566; 10.0964; 18.696
90; 114.458; 90
3018.3Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp
X-ray structure study of the light-induced metastable states of the spin-crossover compound [Fe(mtz)6](BF4)2
Journal of Applied Crystallography, 2001, 34, 229
2300444 CIFC12 H24 B2 F8 Fe N24P 1 21/n 117.4887; 10.0914; 18.517
90; 115.243; 90
2955.9Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp
X-ray structure study of the light-induced metastable states of the spin-crossover compound [Fe(mtz)6](BF4)2
Journal of Applied Crystallography, 2001, 34, 229

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