Crystallography Open Database

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2100141 CIF
Paper
C14 H7 I N2 O4P 1 21/c 17.9592; 6.5708; 25.648
90; 97.96; 90
1328.4Glidewell, 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 O4P 1 21/n 113.4591; 7.6018; 14.7086
90; 110.592; 90
1408.74Glidewell, 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 O4P 1 21/n 17.5238; 22.6556; 7.9201
90; 107.382; 90
1288.38Glidewell, 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 O4P 21 21 216.807; 13.0955; 14.8369
90; 90; 90
1322.58Glidewell, 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 Si24P 21 21 2120.099; 19.844; 13.424
90; 90; 90
5354.09Nishi, 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 OP 1 21 15.651; 5.0642; 9.3185
90; 107.518; 90
254.31Oswald, 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 OP 1 21 15.6747; 5.076; 9.4753
90; 107.832; 90
259.82Oswald, 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 OP 21 21 213.9846; 13.9272; 20.699
90; 90; 90
1148.7Oswald, 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 OP 21 21 214.0949; 13.875; 20.716
90; 90; 90
1177Oswald, 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 OP 1 21/c 18.7086; 15.4523; 8.7414
90; 93.954; 90
1173.5Oswald, 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 OP 1 21/c 13.9724; 12.7328; 23.155
90; 94.126; 90
1168.1Oswald, 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 OP 1 21/c 14.1096; 12.7665; 23.181
90; 94.201; 90
1212.9Oswald, 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 OC 1 2/c 117.1336; 8.2766; 11.4975
90; 100.234; 90
1604.5Oswald, 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 OP 21 21 215.7168; 9.9997; 17.868
90; 90; 90
1021.4Oswald, 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 SrP 4/n c c :18.999; 8.999; 11.566
90; 90; 90
936.6Ricci, 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 SrP 4/n c c :18.99; 8.99; 11.534
90; 90; 90
932.2Ricci, 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 SrP 4/n c c :18.984; 8.984; 11.517
90; 90; 90
929.6Ricci, 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 ZrC 1 2/c 115.387; 10.512; 11.927
90; 121.85; 90
1638.7Stash, 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 O96P b n 217.3056; 31.1632; 9.1659
90; 90; 90
2086.8Schmid, 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 O6C -130.5936; 18.8967; 12.8288
90.18; 111.561; 90.083
6897.5A. 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 O10P 1 21/c 113.825; 5.0531; 18.804
90; 102.9; 90
1280.5Vijayan, 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 O8P 1 21 112.494; 5.951; 16.719
90; 105.977; 90
1195.1Vijayan, 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 O2C 1 2/c 19.3538; 12.1757; 7.2286
90; 104.593; 90
796.7Day, 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 O2P 1 21/c 14.202; 20.956; 9.276
90; 100.63; 90
802.8Day, 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 O5P 1 21/n 112.5693; 4.8531; 17.2663
90; 99.1624; 90
1039.81Day, 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 NP 1 21/c 19.507; 9.122; 9.79
90; 117.469; 90
753.3Day, 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 O11P 17.65217; 19.8637; 4.98773
92.0279; 106.261; 97.1529
720.18Platteau, 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 S3.38C 1 2/m 128.056; 4.1048; 10.58
90; 110.572; 90
1140.7Tonci 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 O36P 1 21/n 110.6907; 47.1248; 6.80017
90; 94.1849; 90
3416.77Platteau, 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 O36P -110.7313; 23.5112; 6.78309
90.9687; 94.4757; 88.1533
1705.13Platteau, 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 O3P m c n4.96183; 7.96914; 5.742852
90; 90; 90
227.081Caspi, 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 SiP 32 2 14.91427; 4.91427; 5.4058
90; 90; 120
113.06Caspi, 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 O3R -3 c :H4.987; 4.987; 17.058
90; 90; 120
367.4Caspi, 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 D18P -16.1803; 6.1898; 6.1993
90.041; 90.129; 90.239
237.15Stride, J.A.
Determination of the low-temperature structure of hexamethylbenzene
Acta Crystallographica Section B, 2005, 61, 200-206
2100191 CIF
Paper
C12 D18P -16.1934; 6.2008; 6.2102
90.012; 90.116; 90.266
238.49Stride, J.A.
Determination of the low-temperature structure of hexamethylbenzene
Acta Crystallographica Section B, 2005, 61, 200-206
2100192 CIF
Paper
C12 D18P -16.2055; 6.212; 6.2214
90; 90.06; 90.195
239.82Stride, J.A.
Determination of the low-temperature structure of hexamethylbenzene
Acta Crystallographica Section B, 2005, 61, 200-206
2100193 CIF
Paper
C12 D18P -16.211; 6.219; 6.2257
90; 90.02; 90.17
240.47Stride, J.A.
Determination of the low-temperature structure of hexamethylbenzene
Acta Crystallographica Section B, 2005, 61, 200-206
2100194 CIF
Paper
C12 D18P -16.2157; 6.2221; 6.2284
90; 90.02; 90.139
240.88Stride, J.A.
Determination of the low-temperature structure of hexamethylbenzene
Acta Crystallographica Section B, 2005, 61, 200-206
2100195 CIF
Paper
C12 D18P -16.2183; 6.222; 6.2281
90.01; 90.03; 90.12
240.97Stride, J.A.
Determination of the low-temperature structure of hexamethylbenzene
Acta Crystallographica Section B, 2005, 61, 200-206
2100196 CIF
Paper
C12 D18P -15.236; 6.1845; 7.952
103.816; 98.46; 100.057
241.36Stride, J.A.
Determination of the low-temperature structure of hexamethylbenzene
Acta Crystallographica Section B, 2005, 61, 200-206
2100197 CIFC4 H6 O2P 1 21/a 110.1282; 10.2303; 8.31325
90; 93.2908; 90
859.95Papoular, 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 CIFC21 H22 N2 O2P 21 21 2111.309; 11.785; 12.002
90; 90; 90
1599.65Messerschmidt, 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 O2P 21 21 2111.326; 11.765; 11.994
90; 90; 90
1598.2Messerschmidt, 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 CIFC21 H22 N2 O2P 21 21 2111.309; 11.785; 12.002
90; 90; 90
1599.65Messerschmidt, 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 O2P 21 21 2111.326; 11.765; 11.994
90; 90; 90
1598.2Messerschmidt, 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 O2R 3 c :H14.9372; 14.9372; 6.898
90; 90; 120
1332.88Derollez, 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 O4P 21 21 217.431; 13.769; 14.944
90; 90; 90
1529Scheins, 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 O11P 17.6258; 19.6559; 5.0613
95.646; 105.43; 80.996
721.01Lefebvre, 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 CIFB4 Fe3 Gd O12P 31 2 19.5305; 9.5305; 7.5479
90; 90; 120
593.73Klimin, 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 CIFB4 Fe3 Gd O12R 3 2 :H9.5203; 9.5203; 7.5439
90; 90; 120
592.15Klimin, 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 O55.25C 1 2 118.998; 24.82; 16.662
90; 105.29; 90
7579Tsorteki, 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 O80P 1 21 110.926; 25.284; 29.954
90; 92.86; 90
8265Tsorteki, 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 :H4.27125; 4.27125; 63.8957
90; 90; 120
1009.51Kifune, 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 :H4.28168; 4.28168; 108.7017
90; 90; 120
1725.82Kifune, 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
135.652Michiue, 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 O5P 21 21 218.9879; 9.4028; 26.4369
90; 90; 90
2234.22Bertolasi, 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 O5P 21 21 216.3122; 10.8884; 32.0624
90; 90; 90
2203.64Bertolasi, 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 O5P 1 21 110.2677; 7.1108; 15.227
90; 92.34; 90
1110.82Bertolasi, 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
2100215 CIF
Paper
C24 H36 O5P 21 21 218.4953; 12.706; 20.8011
90; 90; 90
2245.3Bertolasi, 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
2100216 CIF
Paper
C24 H37 O5.5C 1 2 126.6049; 7.7044; 22.9126
90; 93.424; 90
4688.12Bertolasi, 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
2100217 CIF
Paper
C24 H34 O5P 1 21 112.0863; 6.8301; 13.1153
90; 101.138; 90
1062.28Bertolasi, 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
2100218 CIF
Paper
C4 H9 Cd N7 Ni O0?P?8.4867; 15.951; 7.604
90; 90.48; 90
1029.3Petříček, Václav; Dušek, Michal; Černák, Juraj
Modulated one-dimensional structure of [Cd(NH~3~)~3~Ni(CN)~4~]
Acta Crystallographica Section B, 2005, 61, 280-286
2100219 CIF
Paper
C2 H3 K N8 O2P -17.031; 11.4089; 4.6788
93.158; 106.749; 83.473
356.964Leonid A. Solovyov; Alexander M. Astachov; Maxim S. Molokeev; Alexander D. Vasiliev
Powder diffraction crystal structure analysis using derivative difference minimization: example of the potassium salt of 1-(tetrazol-5-yl)-2-nitroguanidine
Acta Crystallographica Section B, 2005, 61, 435-442
2100220 CIF
Paper
K5 Mo4 O16 Yb?P?10.4054; 6.1157; 19.7751
90; 136.625; 90
864.2Alla Arakcheeva; Gervais Chapuis; Vaclav Petricek; Vladimir Morozov
The role of second coordination-sphere interactions in incommensurately modulated structures, using β-K~5~Yb(MoO~4~)~4~ as an example
Acta Crystallographica Section B, 2005, 61, 400-406
2100221 CIFC2 H2 N4 O3P -15.1233; 10.314; 17.998
106.61; 97.81; 90.13
902.1Bolotina, Nadezhda B.; Kirschbaum, Kristin; Pinkerton, A.Alan
Acta Crystallographica, Section B, 2005, 61, 577-584
2100222 CIF
Paper
C20 H24 O7C 1 2/c 115.3519; 10.4044; 11.8506
90; 109.607; 90
1783.11Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.
Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography
Acta Crystallographica Section B, 2005, 61, 335-345
2100223 CIF
Paper
C21 H29 Cl N O6.5C 1 2/c 136.0403; 7.8165; 17.0066
90; 111.792; 90
4448.5Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.
Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography
Acta Crystallographica Section B, 2005, 61, 335-345
2100224 CIF
Paper
C20 H24 O6 SC 1 2/c 18.6029; 12.2965; 17.6032
90; 104.038; 90
1806.55Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.
Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography
Acta Crystallographica Section B, 2005, 61, 335-345
2100225 CIF
Paper
C20 H24 O7 SC 1 2/c 18.8113; 12.2699; 17.564
90; 103.988; 90
1842.6Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.
Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography
Acta Crystallographica Section B, 2005, 61, 335-345
2100226 CIF
Paper
C20 H24 O8 SP 1 21/n 18.7886; 15.3454; 15.4972
90; 106.277; 90
2006.25Edwards, David J.; Pritchard, Robin G.; Wallace, Timothy W.
Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography
Acta Crystallographica Section B, 2005, 61, 335-345
2100227 CIF
Paper
Li2 O2P 63/m m c3.183; 3.183; 7.7258
90; 90; 120
67.787Luis Guillermo Cota; Pablo de la Mora
On the structure of lithium peroxide, Li~2~O~2~
Acta Crystallographica Section B, 2005, 61, 133-136
2100228 CIF
HKL
Paper
C10 H10 N2 O2P 1 21/c 18.901; 7.666; 6.984
90; 90.091; 90
476.6Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100229 CIF
HKL
Paper
C10 H16 N2 O2P -15.706; 6.7599; 7.0771
100.269; 112.446; 90.163
247.5Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100230 CIF
HKL
Paper
C14 H28 N2 O4P 1 21/n 16.6652; 5.5881; 20.034
90; 94.942; 90
743.4Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100231 CIF
Paper
C16 H16 N2 O2P 1 21/c 16.499; 16.459; 7.1794
90; 112.986; 90
706.98Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100232 CIF
Paper
C16 H28 N2 O2P 1 21/c 110.423; 5.2619; 15.221
90; 109.92; 90
784.85Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100233 CIF
HKL
Paper
C26 H22 N4 O2P -17.82; 8.619; 9.201
111.897; 109.851; 94.657
525.6Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100234 CIF
Paper
C16 H28 N2 O4P -16.9612; 7.3146; 9.659
106.182; 104.481; 106.201
423.96Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100235 CIF
HKL
Paper
C12 H20 N2 O2P -18.962; 9.4944; 14.7119
90.501; 92.919; 99.664
1232.26Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
Formation of quinol co-crystals with hydrogen-bond acceptors
Acta Crystallographica Section B, 2005, 61, 46-57
2100236 CIF
Paper
C17 H13 N3 O2P 21 21 2123.97; 10.609; 5.457
90; 90; 90
1387.7Ryabova, Svetlana Yu.; Rastorgueva, Nina A.; Sonneveld, Eduard J.; Peschar, Rene; Schenk, Henk; Tafeenko, Viktor A.; Aslanov, Leonid A.; Chernyshev, Vladimir V.
Structural characterization of [1,4]diazepino[6,5-<i>b</i>]indoles by powder diffraction
Acta Crystallographica Section B, 2005, 61, 192-199
2100237 CIF
HKL
Paper
C3 H7 N O3P 21 21 218.5213; 9.172; 5.5847
90; 90; 90
436.49Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa
Acta Crystallographica Section B, 2005, 61, 58-68
2100238 CIF
HKL
Paper
C3 H7 N O3P 21 21 218.4365; 8.9506; 5.5512
90; 90; 90
419.18Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa
Acta Crystallographica Section B, 2005, 61, 58-68
2100239 CIF
HKL
Paper
C3 H7 N O3P 21 21 218.3702; 8.7699; 5.5103
90; 90; 90
404.49Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa
Acta Crystallographica Section B, 2005, 61, 58-68
2100240 CIF
HKL
Paper
C3 H7 N O3P 21 21 218.3266; 8.665; 5.4851
90; 90; 90
395.75Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa
Acta Crystallographica Section B, 2005, 61, 58-68
2100241 CIF
Paper
C3 H7 N O3P 21 21 218.298; 8.6; 5.4663
90; 90; 90
390.09Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa
Acta Crystallographica Section B, 2005, 61, 58-68
2100242 CIF
Paper
C3 H7 N O3P 21 21 216.9083; 9.644; 5.6166
90; 90; 90
374.2Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa
Acta Crystallographica Section B, 2005, 61, 58-68
2100243 CIF
Paper
Mn O4 ReP 1 2/c 14.8022; 5.6318; 5.0803
90; 92.762; 90
137.24Bramnik, Kirill G.; Ehrenberg, Helmut; Buhre, Stephan; Fuess, Hartmut
Preparation, crystal structure and magnetic properties of the high-pressure phase MnReO~4~ with a wolframite-type structure
Acta Crystallographica Section B, 2005, 61, 246-249
2100244 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.1798; 9.1869; 5.1978
90; 105.614; 90
468.16Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100245 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.1822; 9.1912; 5.1995
90; 105.636; 90
468.6Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100246 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.1853; 9.1959; 5.2013
90; 105.649; 90
469.11Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100247 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.1893; 9.1996; 5.2043
90; 105.669; 90
469.71Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100248 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.193; 9.2039; 5.2078
90; 105.688; 90
470.37Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100249 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.1944; 9.2078; 5.2103
90; 105.699; 90
470.84Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100250 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.1957; 9.2123; 5.2142
90; 105.702; 90
471.47Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100251 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.2047; 9.2255; 5.2249
90; 105.785; 90
473.34Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100252 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.213; 9.2385; 5.2359
90; 105.87; 90
475.19Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100253 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.215; 9.2455; 5.2407
90; 105.928; 90
475.94Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100254 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.2165; 9.2483; 5.2429
90; 105.942; 90
476.32Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100255 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.217; 9.2515; 5.2446
90; 105.964; 90
476.62Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100256 CIF
Paper
Ca Cu Ge2 O6P 1 21/c 110.218; 9.2536; 5.2468
90; 105.975; 90
476.94Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100257 CIF
Paper
Ca Cu Ge2 O6C 1 2/c 110.2453; 9.2118; 5.4115
90; 106.931; 90
488.59Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100258 CIF
Paper
Ca Cu Ge2 O6C 1 2/c 110.2405; 9.178; 5.4003
90; 107.072; 90
485.19Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100259 CIF
Paper
Ca Cu Ge2 O6C 1 2/c 110.243; 9.1821; 5.4015
90; 107.074; 90
485.63Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100260 CIF
Paper
Ca Cu Ge2 O6C 1 2/c 110.2448; 9.1898; 5.4023
90; 107.09; 90
486.16Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Acta Crystallographica Section B, 2005, 61, 367-380
2100261 CIF
Paper
C18 H17 N O4P 1 21/c 18.5153; 16.0591; 12.1476
90; 96.801; 90
1649.5Skakle, Janet M. S.; Low, John N.; Wardell, James L.; Glidewell, Christopher
Concomitant polymorphism and a temperature-dependent phase change in (<i>E</i>)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino]oxyacetic acid
Acta Crystallographica Section B, 2005, 61, 321-328
2100262 CIF
Paper
C18 H17 N O4P 1 21/c 16.4499; 14.9693; 16.6559
90; 92.947; 90
1606.01Skakle, Janet M. S.; Low, John N.; Wardell, James L.; Glidewell, Christopher
Concomitant polymorphism and a temperature-dependent phase change in (<i>E</i>)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino]oxyacetic acid
Acta Crystallographica Section B, 2005, 61, 321-328
2100263 CIF
Paper
C18 H17 N O4P 1 21/c 16.4238; 15.1513; 17.0552
90; 93.167; 90
1657.43Skakle, Janet M. S.; Low, John N.; Wardell, James L.; Glidewell, Christopher
Concomitant polymorphism and a temperature-dependent phase change in (<i>E</i>)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino]oxyacetic acid
Acta Crystallographica Section B, 2005, 61, 321-328
2100264 CIF
Paper
C18 H17 N O4P 1 21/n 112.1552; 15.8657; 16.6708
90; 97.425; 90
3188.02Skakle, Janet M. S.; Low, John N.; Wardell, James L.; Glidewell, Christopher
Concomitant polymorphism and a temperature-dependent phase change in (<i>E</i>)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino]oxyacetic acid
Acta Crystallographica Section B, 2005, 61, 321-328
2100265 CIF
Paper
Nb O6 Sr2 YP 1 21/n 15.81174; 5.86444; 8.24541
90; 90.166; 90
281.024Howard, Christopher J.; Barnes, Paris W.; Kennedy, Brendan J.; Woodward, Patrick M.
Structures of the ordered double perovskites Sr~2~YTaO~6~ and Sr~2~YNbO~6~
Acta Crystallographica Section B, 2005, 61, 258-262
2100266 CIF
Paper
O6 Sr2 Ta YP 1 21/n 15.81216; 5.85937; 8.24479
90; 90.1479; 90
280.78Howard, Christopher J.; Barnes, Paris W.; Kennedy, Brendan J.; Woodward, Patrick M.
Structures of the ordered double perovskites Sr~2~YTaO~6~ and Sr~2~YNbO~6~
Acta Crystallographica Section B, 2005, 61, 258-262
2100267 CIF
Paper
C4 H8 OA b a 29.3789; 13.658; 13.661
90; 90; 90
1749.9Dave Allan, D
The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH)
Acta Crystallographica Section B, 2005, 61, 449-454
2100268 CIF
Paper
C4 H8 OA b a 29.3312; 13.642; 13.619
90; 90; 90
1733.6Dave Allan, D
The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH)
Acta Crystallographica Section B, 2005, 61, 449-454
2100269 CIF
Paper
C4 H8 OP n a 214.9208; 8.2302; 9.598
90; 90; 90
388.71Dave Allan, D
The low-temperature and high-pressure crystal structures of cyclobutanol (C~4~H~7~OH)
Acta Crystallographica Section B, 2005, 61, 449-454
2100270 CIF
HKL
Paper
C4 H8 N2 O5P 1 21/n 16.097; 12.7152; 8.8587
90; 94.051; 90
685.05Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100271 CIF
Paper
C4 H8 N2 O5P 1 21/n 16.113; 12.7149; 8.8564
90; 93.437; 90
687.14Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100272 CIF
Paper
C4 H8 N2 O5P 1 21/n 16.127; 12.7253; 8.8633
90; 93.068; 90
690.06Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100273 CIF
Paper
C4 H8 N2 O5P 1 21/n 16.1377; 12.7306; 8.8641
90; 92.528; 90
691.94Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100274 CIF
Paper
C4 H8 N2 O5P 1 21/n 16.1313; 12.703; 8.8456
90; 92.187; 90
688.4Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100275 CIF
Paper
C4 H8 N2 O5P 1 21/n 16.1538; 12.747; 8.877
90; 91.627; 90
696.1Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100276 CIF
Paper
C4 H8 N2 O5P 1 21/n 16.158; 12.7515; 8.8763
90; 91.263; 90
696.83Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100277 CIF
Paper
C4 H8 N2 O5P 1 21/n 16.1567; 12.733; 8.865
90; 91.18; 90
694.8Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100278 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.177; 12.785; 8.898
90; 90; 90
702.7Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100279 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.1626; 12.757; 8.876
90; 90; 90
697.8Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100280 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.1624; 12.757; 8.878
90; 90; 90
697.9Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100281 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.1665; 12.763; 8.8814
90; 90; 90
699Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100282 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.1739; 12.7594; 8.8831
90; 90; 90
699.77Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100283 CIF
HKL
Paper
C4 H8 N2 O5P m n b6.2144; 12.7512; 8.8841
90; 90; 90
703.99Nichol, Gary S.; Clegg, William
A variable-temperature study of a phase transition in barbituric acid dihydrate
Acta Crystallographica Section B, 2005, 61, 464-472
2100284 CIF
Paper
C21 H27 N5 O4 SP -19.1487; 24.2873; 5.1794
93.118; 101.154; 83.479
1121.18Burley, Jonathan C.
Structure and intermolecular interactions of glipizide from laboratory X-ray powder diffraction
Acta Crystallographica Section B, 2005, 61, 710-716
2100287 CIF
Paper
C25 H33 N9 O8P -17.69; 9.6995; 20.1404
80.522; 86.792; 72.33
1411.81Ferretti, Valeria; Pretto, Loretta; Tabrizi, Mojgan Aghazadeh; Bertolasi, Valerio
A structural study of new potent and selective antagonists to the A~2B~ adenosine receptor
Acta Crystallographica Section B, 2005, 61, 569-576
2100292 CIF
HKL
Paper
C10 H24 Cu N2 O13P 1 21/n 114.772; 13.987; 43.344
90; 97.33; 90
8882Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100293 CIF
HKL
Paper
C10 H24 Cu N2 O13P 1 21/n 114.659; 14.029; 42.475
90; 96.85; 90
8673Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100294 CIF
HKL
Paper
C10 H24 N2 O13 ZnP 1 21/c 114.721; 14.077; 26.111
90; 96.83; 90
5372.5Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100295 CIF
HKL
Paper
C10 H24 N2 O13 ZnP 1 21/c 114.633; 14.034; 25.561
90; 96.48; 90
5215.7Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100296 CIF
HKL
Paper
C10 H24 Mg N2 O13P 1 21/c 114.601; 14.182; 26.241
90; 96.77; 90
5395.9Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100297 CIF
HKL
Paper
C10 H24 Mg N2 O13P 1 21/c 114.497; 14.181; 25.7
90; 96.46; 90
5249.9Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100298 CIF
HKL
Paper
C10 H24 Co N2 O13P 4111.425; 11.425; 27.248
90; 90; 90
3556.7Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100299 CIF
HKL
Paper
C10 H24 Co N2 O13P 4111.306; 11.306; 27.041
90; 90; 90
3456.5Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100300 CIF
Paper
C6 Cd3 O12 P2P 1 21 18.7743; 9.4828; 9.167
90; 113.609; 90
698.9Bestaoui, Naima; Ouyang, Xiang; Fredoueil, Florence; Bujoli, Bruno; Clearfield, Abraham
Structural characterization of Cd~3~(O~3~PC~2~H~4~CO~2~)~2~·2H~2~O from in-house X-ray powder data and NMR
Acta Crystallographica Section B, 2005, 61, 669-674
2100301 CIF
HKL
Paper
C7 H5 N O4P 1 21/c 19.7116; 11.1347; 6.4421
90; 108.595; 90
660.26Cowan, John. A.; Howard, Judith A. K.; McIntyre, Garry, J.; Lo, Samuel M.-F; Williams, Ian D.
Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid
Acta Crystallographica Section B, 2005, 61, 724-730
2100302 CIF
HKL
Paper
C7 H5 N O4P 1 21/c 19.6986; 11.1571; 6.5891
90; 107.804; 90
678.85Cowan, John. A.; Howard, Judith A. K.; McIntyre, Garry, J.; Lo, Samuel M.-F; Williams, Ian D.
Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid
Acta Crystallographica Section B, 2005, 61, 724-730
2100303 CIF
HKL
Paper
C7 H3 D2 N O4P 1 21/c 19.7196; 11.1396; 6.454
90; 108.754; 90
661.69Cowan, John. A.; Howard, Judith A. K.; McIntyre, Garry, J.; Lo, Samuel M.-F; Williams, Ian D.
Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid
Acta Crystallographica Section B, 2005, 61, 724-730
2100304 CIF
HKL
Paper
C7 H3 D2 N O4P 1 21/c 19.7217; 11.1545; 6.5112
90; 108.397; 90
669.99Cowan, John. A.; Howard, Judith A. K.; McIntyre, Garry, J.; Lo, Samuel M.-F; Williams, Ian D.
Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid
Acta Crystallographica Section B, 2005, 61, 724-730
2100305 CIF
HKL
Paper
C7 H3 D2 N O4P 1 21/c 19.7614; 11.2243; 6.643
90; 108.304; 90
691Cowan, John. A.; Howard, Judith A. K.; McIntyre, Garry, J.; Lo, Samuel M.-F; Williams, Ian D.
Variable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid
Acta Crystallographica Section B, 2005, 61, 724-730
2100306 CIF
Paper
C7 H10 N O5 PP 1 21/c 112.1405; 12.4273; 6.3851
90; 100.122; 90
948.35Bendeif, El-eulmi; Dahaoui, Slimane; François, Michel; Benali-Cherif, Nourredine; Lecomte, Claude
Isostructural phase transition in <i>m</i>-carboxyphenylammonium monohydrogenphosphite
Acta Crystallographica Section B, 2005, 61, 700-709
2100307 CIF
Paper
C7 H10 N O5 PP 1 21/c 113.036; 11.538; 6.6366
90; 104.73; 90
965.4Bendeif, El-eulmi; Dahaoui, Slimane; François, Michel; Benali-Cherif, Nourredine; Lecomte, Claude
Isostructural phase transition in <i>m</i>-carboxyphenylammonium monohydrogenphosphite
Acta Crystallographica Section B, 2005, 61, 700-709
2100328 CIF
Paper
Cl H4 Na9 O20 S4P 4/n :229.6829; 29.6829; 8.4018
90; 90; 90
7402.61Pritchard, Robin Gavin; Begum, Zubeda; Lau, Yuf Fai; Austin, Jonothan
Structures of Na~9~[SO~4~]~4~<i>X</i>·2H~2~O~2~, where <i>X</i> = Cl or Br, in which the halide anions orchestrate extended orientation sequences of H~2~O~2~ solvate molecules
Acta Crystallographica Section B, 2005, 61, 663-668
2100329 CIF
Paper
Br H4 Na9 O20 S4P 4/n :214.9126; 14.9126; 8.4052
90; 90; 90
1869.2Pritchard, Robin Gavin; Begum, Zubeda; Lau, Yuf Fai; Austin, Jonothan
Structures of Na~9~[SO~4~]~4~<i>X</i>·2H~2~O~2~, where <i>X</i> = Cl or Br, in which the halide anions orchestrate extended orientation sequences of H~2~O~2~ solvate molecules
Acta Crystallographica Section B, 2005, 61, 663-668
2100332 CIF
Paper
Al0.21 Ga1.93 K0.152 O7 Ti1.86I 4/m18.0971; 18.0971; 2.9916
90; 90; 90
979.8Michiue, Yuichi; Yoshikado, Shinzo
X-ray diffraction study for one-dimensional ionic conductors K~<i>x~</i>(Ga~1{-~<i>y</i>}Al~y~)~2+<i>x~</i>Ti~2{-~<i>x</i>}O~7~ (<i>x</i> ≃0.14, <i>y</i> ≃0.10, 0.23, 0.39)
Acta Crystallographica Section B, 2005, 61, 608-615
2100333 CIF
Paper
Al0.49 Ga1.65 K0.155 O7 Ti1.86I 4/m18.0606; 18.0606; 2.9839
90; 90; 90
973.3Michiue, Yuichi; Yoshikado, Shinzo
X-ray diffraction study for one-dimensional ionic conductors K~<i>x~</i>(Ga~1{-~<i>y</i>}Al~y~)~2+<i>x~</i>Ti~2{-~<i>x</i>}O~7~ (<i>x</i> ≃0.14, <i>y</i> ≃0.10, 0.23, 0.39)
Acta Crystallographica Section B, 2005, 61, 608-615
2100334 CIF
Paper
Al0.84 Ga1.3 K0.157 O7 Ti1.86I 4/m18.0088; 18.0088; 2.9759
90; 90; 90
965.1Michiue, Yuichi; Yoshikado, Shinzo
X-ray diffraction study for one-dimensional ionic conductors K~<i>x~</i>(Ga~1{-~<i>y</i>}Al~y~)~2+<i>x~</i>Ti~2{-~<i>x</i>}O~7~ (<i>x</i> ≃0.14, <i>y</i> ≃0.10, 0.23, 0.39)
Acta Crystallographica Section B, 2005, 61, 608-615
2100335 CIFO2 SiR -3 :H13.7761; 13.7761; 41.5456
90; 90; 120
6828.23Acta Crystallographica, Section B, 2005, 61, 627-634
2100339 CIF
Paper
C3 H7 NP b c a5.0741; 9.7594; 13.305
90; 90; 90
658.87Lozano-Casal, Patricia; Allan, David R.; Parsons, Simon
Pressure-induced polymorphism in cyclopropylamine
Acta Crystallographica Section B, 2005, 61, 717-723
2100340 CIF
HKL
Paper
C6 H14 O2C 1 2/c 116.36; 16.219; 10.942
90; 90.96; 90
2903Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
The unusual phases of anhydrous and hydrated pinacol
Acta Crystallographica Section B, 2005, 61, 689-699
2100341 CIF
HKL
Paper
C6 H14 O2C 1 2/c 116.333; 16.145; 10.916
90; 90.92; 90
2878.1Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
The unusual phases of anhydrous and hydrated pinacol
Acta Crystallographica Section B, 2005, 61, 689-699
2100342 CIF
HKL
Paper
C6 H16 O3P 1 2/n 110.582; 7.3637; 10.587
90; 92.13; 90
824.4Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
The unusual phases of anhydrous and hydrated pinacol
Acta Crystallographica Section B, 2005, 61, 689-699
2100343 CIF
HKL
Paper
C6 H26 O8P n n m6.308; 6.321; 15.759
90; 90; 90
628.4Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
The unusual phases of anhydrous and hydrated pinacol
Acta Crystallographica Section B, 2005, 61, 689-699
2100344 CIF
HKL
Paper
C6 H15 O2.5P 65 2 214.696; 14.696; 13.686
90; 90; 120
2559.8Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
The unusual phases of anhydrous and hydrated pinacol
Acta Crystallographica Section B, 2005, 61, 689-699
2100345 CIF
Paper
C3 H9 Cl SiP m n 217.785; 6.43; 6.254
90; 90; 90
313.1Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak
Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs
Acta Crystallographica Section B, 2006, 62, 86-93
2100346 CIF
Paper
C3 H9 Cl SiP m n 217.768; 6.42; 6.233
90; 90; 90
310.8Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak
Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs
Acta Crystallographica Section B, 2006, 62, 86-93
2100347 CIF
Paper
C3 H9 Cl SiP m n 217.668; 6.34; 6.159
90; 90; 90
299.4Roman Gajda; Kamil F. Dziubek; Andrzej Katrusiak
Absence of halogen···halogen interactions in chlorotrimethylsilane polymorphs
Acta Crystallographica Section B, 2006, 62, 86-93
2100348 CIF
Paper
C6 H6P b c a7.287; 9.2; 6.688
90; 90; 90
448.4Budzianowski, Armand; Katrusiak, Andrzej
Pressure-frozen benzene I revisited
Acta Crystallographica Section B, 2006, 62, 94-101
2100349 CIF
Paper
C6 H6P b c a7.221; 9.05; 6.59
90; 90; 90
430.7Budzianowski, Armand; Katrusiak, Andrzej
Pressure-frozen benzene I revisited
Acta Crystallographica Section B, 2006, 62, 94-101
2100350 CIF
Paper
C6 H6P b c a7.243; 9.31; 6.756
90; 90; 90
455.6Budzianowski, Armand; Katrusiak, Andrzej
Pressure-frozen benzene I revisited
Acta Crystallographica Section B, 2006, 62, 94-101
2100351 CIF
Paper
C27 H33 N O3P 21 21 2111.757; 29.752; 6.5547
90; 90; 90
2292.8Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100352 CIF
Paper
C27 H33 N O3P 21 21 2111.7903; 29.728; 6.5519
90; 90; 90
2296.5Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100353 CIF
Paper
C27 H33 N O3P 21 21 2111.847; 29.649; 6.5443
90; 90; 90
2298.7Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100354 CIF
Paper
C27 H33 N O3P 21 21 2111.8971; 29.579; 6.535
90; 90; 90
2299.7Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100355 CIF
Paper
C27 H33 N O3P 21 21 2111.9628; 29.503; 6.5269
90; 90; 90
2303.6Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100356 CIF
Paper
C27 H33 N O3P 21 21 2112.053; 29.385; 6.5093
90; 90; 90
2305.4Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100357 CIF
Paper
C27 H33 N O3P 21 21 2112.14; 29.258; 6.4918
90; 90; 90
2305.8Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100358 CIF
Paper
C27 H33 N O3P 21 21 2112.364; 28.956; 6.4582
90; 90; 90
2312.1Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100359 CIF
Paper
C27 H33 N O3P 21 21 2112.4079; 28.861; 6.4428
90; 90; 90
2307.2Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100360 CIF
Paper
C27 H33 N O3P 21 21 2112.4288; 28.809; 6.4326
90; 90; 90
2303.3Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100361 CIF
Paper
C27 H33 N O3P 21 21 2112.4407; 28.779; 6.4272
90; 90; 90
2301.1Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang
Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization
Acta Crystallographica Section B, 2006, 62, 128-134
2100362 CIF
Paper
C27 H33 N O3P 21 21 2112.4509; 28.753; 6.4239
90; 90; 90
2299.8Acta Crystallographica, Section B, 2006, 62, 128-134
2100363 CIF
Paper
C27 H33 N O3P 21 21 2112.4537; 28.749; 6.424
90; 90; 90
2300Acta Crystallographica, Section B, 2006, 62, 128-134
2100364 CIF
Paper
Al0.1 Nd0.7 O3 Ti0.9C 1 2/m 17.67637; 7.64297; 7.71137
90; 90.042; 90
452.428Zhang, Zhaoming; Howard, Christopher J.; Knight, Kevin S.; Lumpkin, Gregory R.
Structures of the cation-deficient perovskite Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder diffraction in combination with group-theoretical analysis
Acta Crystallographica Section B, 2006, 62, 60-67
2100365 CIF
Paper
Al0.1 Nd0.7 O3 Ti0.9C m m m7.71021; 7.69428; 7.74755
90; 90; 90
459.62Zhang, Zhaoming; Howard, Christopher J.; Knight, Kevin S.; Lumpkin, Gregory R.
Structures of the cation-deficient perovskite Nd~0.7~Ti~0.9~Al~0.1~O~3~ from high-resolution neutron powder diffraction in combination with group-theoretical analysis
Acta Crystallographica Section B, 2006, 62, 60-67
2100366 CIF
HKL
Paper
C7 H3 Cl2 N OP -17.3325; 8.999; 12.221
78.65; 74.39; 74.23
740.7Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100367 CIF
HKL
Paper
C10 H6 Cl2 N OP -17.42; 8.386; 8.808
73.82; 66.99; 79.04
482.4Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100368 CIF
HKL
Paper
C9 H5.5 Cl2 N OP 1 21/n 14.5522; 15.067; 13.636
90; 98; 90
926.2Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100369 CIF
HKL
Paper
C7 H3 Br2 N OP -18.244; 9.12; 11.687
95.6; 108.55; 106.13
783.4Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100370 CIF
Paper
C7 H3 Br2 N OP -13.9684; 12.669; 16.047
79.68; 83.71; 83.06
784.7Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100371 CIF
Paper
C7 H3 I2 N OP -18.648; 9.393; 12.12
97.32; 109.86; 105.59
865.5Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100372 CIF
HKL
Paper
C7 H3 I2 N OP 1 21/c 115.657; 14.32; 7.724
90; 91.9; 90
1730.8Britton, Doyle
3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates
Acta Crystallographica Section B, 2006, 62, 109-117
2100373 CIF
Paper
Al596 Cr156P 63/m m c32.3; 32.3; 12.4
90; 90; 120
11203.6Zhang, H.; He, Z.B.; Oleynikov, P.; Zou, X. D.; Hovmöller, S.; Kuo, K. H.
Structure model for the τ(μ) phase in Al‒Cr‒Si alloys deduced from the λ phase by the strong-reflections approach
Acta Crystallographica Section B, 2006, 62, 16-25
2100374 CIF
HKL
Paper
C10 H12 N5 O5 PP -18.9243; 10.72; 14.295
91.41; 100.75; 108.85
1266.2Ślósarek, G.; Kozak, M.; Gierszewski, J.; Pietraszko, A.
Structure of <i>N</i>^6^-furfurylaminopurine (kinetin) dihydrogenphosphate
Acta Crystallographica Section B, 2006, 62, 102-108
2100375 CIF
Paper
C10 H12 N5 O5 PP -14.4923; 10.736; 14.455
91; 100.92; 108.47
647Ślósarek, G.; Kozak, M.; Gierszewski, J.; Pietraszko, A.
Structure of <i>N</i>^6^-furfurylaminopurine (kinetin) dihydrogenphosphate
Acta Crystallographica Section B, 2006, 62, 102-108
2100376 CIF
Paper
C7 H7 Br N2 OP -17.269; 7.709; 8.403
67.01; 68.03; 72
394.61Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I.
Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP
Acta Crystallographica Section B, 2006, 62, 135-142
2100377 CIF
Paper
C15 H14 Br N3 O4P 1 21 17.359; 12.987; 8.159
90; 105.95; 90
749.7Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I.
Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP
Acta Crystallographica Section B, 2006, 62, 135-142
2100378 CIF
Paper
C15 H13 Br N2 O2P 21 21 218.851; 10.014; 15.895
90; 90; 90
1408.8Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I.
Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP
Acta Crystallographica Section B, 2006, 62, 135-142
2100379 CIF
Paper
C2 H5 N3 O SP 1 21/c 17.2569; 7.4263; 9.593
90; 98.606; 90
511.2Munshi, Parthapratim; Thakur, T. S.; Guru Row, T. N.; Desiraju, G. R.
Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study
Acta Crystallographica Section B, 2006, 62, 118-127
2100380 CIF
Paper
C2 H5 N3 O SP 1 21/c 17.2339; 7.3703; 9.4771
90; 98.426; 90
499.83Munshi, Parthapratim; Thakur, T. S.; Guru Row, T. N.; Desiraju, G. R.
Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study
Acta Crystallographica Section B, 2006, 62, 118-127
2100381 CIF
Paper
C2 H5 N3 O SP 1 21/c 17.2359; 7.3713; 9.4768
90; 98.403; 90
500.05Munshi, Parthapratim; Thakur, T. S.; Guru Row, T. N.; Desiraju, G. R.
Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study
Acta Crystallographica Section B, 2006, 62, 118-127
2100382 CIF
Paper
C6 H5 N O3P 1 21/c 16.138; 8.874; 11.702
90; 103.05; 90
620.9Wójcik, Grażyna; Mossakowska, Izabela
Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol
Acta Crystallographica Section B, 2006, 62, 143-152
2100383 CIF
Paper
C6 H5 N O3P 1 21/c 16.136; 8.8; 11.481
90; 103.4; 90
603.1Wójcik, Grażyna; Mossakowska, Izabela
Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol
Acta Crystallographica Section B, 2006, 62, 143-152
2100384 CIF
Paper
C6 H5 N O3P 1 21/c 16.146; 8.903; 11.763
90; 103.09; 90
626.9Wójcik, Grażyna; Mossakowska, Izabela
Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol
Acta Crystallographica Section B, 2006, 62, 143-152
2100385 CIF
Paper
C6 H5 N O3P 1 21/n 13.774; 11.147; 14.695
90; 92.6; 90
617.6Wójcik, Grażyna; Mossakowska, Izabela
Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol
Acta Crystallographica Section B, 2006, 62, 143-152
2100386 CIF
Paper
C6 H5 N O3P 1 21/n 13.678; 11.091; 14.627
90; 92.75; 90
596Wójcik, Grażyna; Mossakowska, Izabela
Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol
Acta Crystallographica Section B, 2006, 62, 143-152
2100387 CIF
Paper
C6 H5 N O3P 1 21/n 13.831; 11.093; 14.835
90; 93.45; 90
629.3Wójcik, Grażyna; Mossakowska, Izabela
Polymorphs of <i>p</i>-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with <i>m</i>-nitrophenol
Acta Crystallographica Section B, 2006, 62, 143-152
2100388 CIF
Paper
Hf0.006 O1.968 Zr0.994P 42/n m c3.58651; 3.58651; 5.16658
90; 90; 90
66.458Yashima, Masatomo; Tsunekawa, Shin
Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles
Acta Crystallographica, Section B, 2006, 62, 161-164
2100389 CIF
Paper
?P 42/n m c :13.58651; 3.58651; 5.16658
90; 90; 90
66.46Yashima, Masatomo; Tsunekawa, Shin
Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles
Acta Crystallographica, Section B, 2006, 62, 161-164
2100390 CIF
Paper
C21 H9 D14 N SP 1 21 18.5992; 10.1263; 10.0412
90; 98.364; 90
865.07Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo
Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state
Acta Crystallographica Section B, 2006, 62, 153-160
2100391 CIF
Paper
C21 H9 D14 N SP 1 21 18.7075; 10.2068; 10.0908
90; 99.909; 90
883.45Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo
Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state
Acta Crystallographica Section B, 2006, 62, 153-160
2100392 CIF
Paper
C21 H9 D14 N SP 1 21 18.9117; 10.5512; 10.3463
90; 102.589; 90
949.5Hosoya, Takaaki; Uekusa, Hidehiro; Ohashi, Yuji; Ohhara, Takashi; Tanaka, Ichiro; Niimura, Nobuo
Neutron diffraction analysis of deuterium transfer in chiral β-thiolactam formation in the crystalline state
Acta Crystallographica Section B, 2006, 62, 153-160
2100393 CIF
Paper
H8.6 K2.6 Li9.4 O42.3 Si16P 1 21/m 16.56; 23.057; 6.978
90; 90.08; 90
1055.4Park, So-Hyun; Boysen, Hans; Parise, John B.
Structural disorder of a new zeolite-like lithosilicate, K~2.6~Li~5.4~[Li~4~Si~16~O~38~]·4.3H~2~O
Acta Crystallographica Section B, 2006, 62, 42-51
2100394 CIF
Paper
C48 H108 O20 P4 Re4 UI -4 2 m15.5404; 15.5404; 14.8191
90; 90; 90
3578.9M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100395 CIF
Paper
C48 H108 O20 P4 Re4 UC m c 2121.5289; 21.9148; 14.8288
90; 90; 90
6996.3M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100396 CIF
Paper
C48 H108 O20 P4 Re4 UC m c 2121.4344; 21.7929; 14.7782
90; 90; 90
6903.2M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100397 CIF
Paper
C48 H108 O20 P4 Re4 UC 1 c 121.4; 21.68; 14.78
90; 90; 90
6857M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100398 CIF
Paper
C48 H108 O20 P4 Re4 ThI -4 2 m15.5577; 15.5577; 14.873
90; 90; 90
3599.9M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100399 CIF
Paper
C48 H108 O20 P4 Re4 ThC m c 2121.721; 21.738; 14.8793
90; 90; 90
7025.6M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100400 CIF
Paper
C48 H108 O20 P4 Re4 ThC m c 2121.61; 21.623; 14.8324
90; 90; 90
6930.8M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100401 CIF
Paper
C48 H108 O20 P4 Re4 ThC m c 2121.535; 21.548; 14.795
90; 90; 90
6865.4M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100402 CIF
Paper
C48 H108 O20 P4 Tc4 ThI -4 3 m15.3423; 15.3423; 15.3423
90; 90; 90
3611.4M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100403 CIF
Paper
C48 H108 O20 P4 Tc4 ThC m c 2121.444; 21.582; 14.736
90; 90; 90
6819.9M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100404 CIF
Paper
C48 H108 O20 P4 Tc4 ThP b c 2121.417; 21.649; 14.848
90; 90; 90
6884M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100405 CIF
Paper
C48 H108 O20 P4 Tc4 ThP b c 2121.358; 21.651; 14.79
90; 90; 90
6839M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100406 CIF
Paper
C48 H108 O20 P4 Tc4 ThP b c 2121.386; 21.732; 14.82
90; 90; 90
6888M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Acta Crystallographica Section B, 2006, 62, 68-85
2100407 CIF
HKL
Paper
Ce4 Cl0.92 N6.92 O3.16 Si4P 21 310.347; 10.347; 10.347
90; 90; 90
1107.8Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang
Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+<i>x~</i>N~7{-~<i>x</i>}]Cl~1{-~<i>x</i>}O~<i>x~</i>, <i>x</i> ≃0.2
Acta Crystallographica Section B, 2006, 62, 205-211
2100408 CIF
HKL
Paper
Ce4 Cl0.93 N6.93 O3.14 Si4P 21 310.223; 10.223; 10.223
90; 90; 90
1068.4Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang
Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+<i>x~</i>N~7{-~<i>x</i>}]Cl~1{-~<i>x</i>}O~<i>x~</i>, <i>x</i> ≃0.2
Acta Crystallographica Section B, 2006, 62, 205-211
2100409 CIF
HKL
Paper
Ce4 Cl0.93 N6.93 O3.14 Si4P 21 21 2110.824; 10.479; 8.967
90; 90; 90
1017.1Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang
Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+<i>x~</i>N~7{-~<i>x</i>}]Cl~1{-~<i>x</i>}O~<i>x~</i>, <i>x</i> ≃0.2
Acta Crystallographica Section B, 2006, 62, 205-211
2100410 CIF
Paper
C42 H28C m c a26.789; 7.17; 14.211
90; 90; 90
2729.6Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100411 CIF
Paper
C42 H28C m c a26.789; 7.173; 14.246
90; 90; 90
2737.5Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100412 CIF
Paper
C42 H28C m c a26.775; 7.168; 14.258
90; 90; 90
2736.4Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100413 CIF
Paper
C42 H28C m c a26.828; 7.181; 14.306
90; 90; 90
2756.1Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100414 CIF
Paper
C42 H28C m c a26.838; 7.181; 14.332
90; 90; 90
2762.1Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100415 CIF
Paper
C42 H28C m c a26.818; 7.174; 14.348
90; 90; 90
2760.4Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100416 CIF
Paper
C42 H28C m c a26.938; 7.211; 14.461
90; 90; 90
2809Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100417 CIF
Paper
C42 H28C m c a26.86; 7.193; 14.433
90; 90; 90
2788.5Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.
Low-temperature structure of rubrene single crystals grown by vapor transport
Acta Crystallographica Section B, 2006, 62, 330-334
2100418 CIF
Paper
C18 H18 Cl2 N2 O4 SnP -17.1204; 12.5017; 12.578
114.424; 92.562; 104.354
973.78Somphon, Weenawan; Haller, Kenneth J.; Ng, Seik Weng; Rae, A. David
Packing and polytypism in 1,10-phenanthrolin-1-ium (2-carboxyethyl)(2-carboxylatoethyl)dichlorostannate(IV)
Acta Crystallographica Section B, 2006, 62, 255-261
2100419 CIF
Paper
C3 H7 N O2 SP 21 21 218.1109; 12.1621; 5.421
90; 90; 90
534.76Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay
High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV
Acta Crystallographica Section B, 2006, 62, 296-309
2100420 CIF
Paper
C3 H7 N O2 SP 21 21 217.4146; 12; 5.3318
90; 90; 90
474.4Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay
High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV
Acta Crystallographica Section B, 2006, 62, 296-309
2100421 CIF
Paper
C3 H7 N O2 SP 21 21 218.0558; 10.4883; 5.3471
90; 90; 90
451.79Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay
High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV
Acta Crystallographica Section B, 2006, 62, 296-309
2100422 CIF
Paper
C3 H7 N O2 SP 21 21 217.9981; 10.2976; 5.284
90; 90; 90
435.2Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay
High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV
Acta Crystallographica Section B, 2006, 62, 296-309
2100423 CIF
Paper
C3 H7 N O2 SP 1 21 18.105; 5.442; 10.916
90; 94.897; 90
479.7Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay
High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV
Acta Crystallographica Section B, 2006, 62, 296-309
2100424 CIF
Paper
C21 H45 F6 N4 Ni O6 PP 21 314.008; 14.008; 14.008
90; 90; 90
2748.7Farrugia, L. J.; Frampton, C. S.; Howard, J. A. K.; Mallinson, P. R.; Peacock, R. D.; Smith, G. T.; Stewart, B.
Experimental charge-density study on the nickel(II) coordination complex [Ni(H~3~<i>L</i>)][NO~3~][PF~6~] [H~3~<i>L</i> = <i>N</i>,<i>N</i>',<i>N</i>''-tris(2-hydroxy-3-methylbutyl)-1,4,7-triazacyclononane]: a reappraisal
Acta Crystallographica Section B, 2006, 62, 236-244
2100425 CIF
Paper
C16 H26 O6P 3118.685; 18.685; 12.2539
90; 90; 120
3705.03A. David Rae; Anthony C. Willis; David T. Loong; Martin G. Banwell
(<i>Z</i>,2<i>R</i>,3<i>R</i>,4a<i>R</i>,7<i>R</i>,12a<i>S</i>)-2,3,7,8,12,12a-Hexahydro-2,3-dimethoxy-2,3,7-trimethyl-4a<i>H</i>-[1,4]dioxino[2,3-<i>c</i>]oxecin-5(11<i>H</i>)-one: a commensurate occupationally modulated structure revealing a condition for diffraction symmetry enhancement for non-parent reflections
Acta Crystallographica Section B, 2006, 62, 262-267
2100426 CIF
Paper
Ba1.117 Ni0.117 O3 Rh0.883R-3m(00\g)0s10.0576; 10.0576; 2.5862
90; 90; 120
226.56Schönleber, Andreas; Zúñiga, F. Javier; Perez-Mato, J. Manuel; Darriet, Jacques; zur Loye, Hans-Conrad
Description of Ba~1+<i>x~</i>Ni~<i>x~</i>Rh~1{-~<i>x</i>}O~3~ with <i>x</i> = 0.1170(5) in superspace: modulated composite <i>versus</i> modulated-layer structure
Acta Crystallographica Section B, 2006, 62, 197-204
2100427 CIF
Paper
Ba Ni0.105 O2.686 Rh0.791X-3c1(00\g)00010.0576; 10.0576; 4.6306
90; 90; 120
405.65Schönleber, Andreas; Zúñiga, F. Javier; Perez-Mato, J. Manuel; Darriet, Jacques; zur Loye, Hans-Conrad
Description of Ba~1+<i>x~</i>Ni~<i>x~</i>Rh~1{-~<i>x</i>}O~3~ with <i>x</i> = 0.1170(5) in superspace: modulated composite <i>versus</i> modulated-layer structure
Acta Crystallographica Section B, 2006, 62, 197-204
2100428 CIF
HKL
Paper
Ba0.38 K0.085 Na0.07 Nb2 O6 Sr0.56X4bm12.4375; 12.4375; 7.8807
90; 90; 90
1219.08Surmin, Audrey; Fertey, Pierre; Schaniel, Dominik; Woike, Theo
Modulated structure of potassium sodium strontium barium niobates (KNSBN): harmonic solution
Acta Crystallographica Section B, 2006, 62, 228-235
2100429 CIF
HKL
Paper
Ba0.26 K0.09 Na0.08 Nb2 O6 Sr0.67X4bm12.4292; 12.4292; 7.8524
90; 90; 90
1213.08Surmin, Audrey; Fertey, Pierre; Schaniel, Dominik; Woike, Theo
Modulated structure of potassium sodium strontium barium niobates (KNSBN): harmonic solution
Acta Crystallographica Section B, 2006, 62, 228-235
2100430 CIF
Paper
Cl6 N3 P3P n m a13.8572; 12.8086; 6.0801
90; 90; 90
1079.17Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker
Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives
Acta Crystallographica Section B, 2006, 62, 321-329
2100431 CIF
Paper
C4 H10 Cl5 N4 P3P 1 21/c 113.8045; 10.7964; 20.7719
90; 104.132; 90
3002.1Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker
Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives
Acta Crystallographica Section B, 2006, 62, 321-329
2100432 CIF
Paper
C8 H20 Cl4 N5 P3P n a 2120.3441; 11.9481; 15.9661
90; 90; 90
3880.9Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker
Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives
Acta Crystallographica Section B, 2006, 62, 321-329
2100433 CIF
Paper
C16 H40 Cl2 N7 P3P 1 21/n 112.5207; 16.1282; 13.1311
90; 95.903; 90
2637.59Bartlett, Stewart W.; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişogundefinedlu, Hanife; Kiliç, Adem; Shaw, Robert A.; Ün, İlker
Structural investigations of phosphorus‒nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N~3~P~3~Cl~(6{-~<i>n</i>)}(NHBu^<i>t^</i>)~<i>n~</i> derivatives
Acta Crystallographica Section B, 2006, 62, 321-329
2100434 CIF
Paper
C4 H8 N2 O3P 1 21/c 18.1233; 9.554; 7.8224
90; 107.596; 90
578.7Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure
Acta Crystallographica Section B, 2006, 62, 310-320
2100435 CIF
Paper
C4 H8 N2 O3P 1 21/c 17.6428; 9.38; 7.6505
90; 103.882; 90
532.44Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure
Acta Crystallographica Section B, 2006, 62, 310-320
2100436 CIF
Paper
C4 H8 N2 O3P 1 21/c 17.4304; 9.2896; 7.5943
90; 102.465; 90
511.84Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure
Acta Crystallographica Section B, 2006, 62, 310-320
2100437 CIF
Paper
C4 H8 N2 O3P 1 21/c 17.31; 9.232; 7.55
90; 101.51; 90
499.3Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure
Acta Crystallographica Section B, 2006, 62, 310-320
2100438 CIF
Paper
C4 H8 N2 O3P 1 21/c 17.2437; 9.2083; 7.5328
90; 101.214; 90
492.86Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay
Effect of pressure on the crystal structure of α-glycylglycine to 4.7GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure
Acta Crystallographica Section B, 2006, 62, 310-320
2100439 CIF
Paper
C27.5 H36.5 Co1.5 N2.5 O9.5C 1 2/c 133.311; 9.834; 18.296
90; 92.35; 90
5988Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo
Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn
Acta Crystallographica Section B, 2006, 62, 245-254
2100440 CIF
Paper
C27.5 H36.5 N2.5 O9.5 Zn1.5C 1 2/c 133.2613; 9.7844; 18.2156
90; 92.613; 90
5921.96Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo
Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn
Acta Crystallographica Section B, 2006, 62, 245-254
2100441 CIF
Paper
C27.5 H36.5 N2.5 O9.5 Zn1.5C 1 2/c 133.3307; 9.8105; 18.1988
90; 92.552; 90
5944.94Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo
Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn
Acta Crystallographica Section B, 2006, 62, 245-254
2100442 CIF
Paper
C27.5 H36.5 N2.5 O9.5 Zn1.5C 1 2/c 133.4193; 9.8455; 18.1908
90; 92.495; 90
5979.64Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo
Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn
Acta Crystallographica Section B, 2006, 62, 245-254
2100443 CIF
Paper
C27.5 H36.5 N2.5 O9.5 Zn1.5C 1 2/c 133.5639; 9.8791; 18.1814
90; 92.35; 90
6023.54Damgaard Poulsen, Rasmus; Bentien, Anders; Christensen, Mogens; Brummerstedt Iversen, Bo
Solvothermal synthesis, multi-temperature crystal structures and physical properties of isostructural coordination polymers, 2C~4~H~12~N^+^[<i>M</i>~3~(C~8~H~4~O~4~)~4~]^2{-^}·3C~5~H~11~NO, <i>M</i> = Co, Zn
Acta Crystallographica Section B, 2006, 62, 245-254
2100444 CIF
Paper
Ag13.034 As1.179 Cu2.966 S11 Sb0.821P -3 m 17.3876; 7.3876; 11.8882
90; 90; 120
561.89Bindi, Luca; Evain, Michel; Menchetti, Silvio
Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~
Acta Crystallographica, Section B: Structural Science, 2006, 62, 212-219
2100445 CIF
Paper
Ag13.034 As1.179 Cu2.966 S11 Sb0.821P -3 m 17.3721; 7.3721; 11.8104
90; 90; 120
555.88Bindi, Luca; Evain, Michel; Menchetti, Silvio
Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~
Acta Crystallographica Section B, 2006, 62, 212-219
2100446 CIF
Paper
Ag12.21 As1.194 Cu3.79 S11 Sb0.806P -3 m 17.389; 7.389; 11.816
90; 90; 120
558.69Bindi, Luca; Evain, Michel; Menchetti, Silvio
Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~
Acta Crystallographica Section B, 2006, 62, 212-219
2100447 CIF
Paper
C6 H2 Cl4P -13.8016; 10.6369; 9.4866
92.072; 98.966; 96.52
375.91Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.
Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene
Acta Crystallographica Section B, 2006, 62, 287-295
2100448 CIF
Paper
C6 Cl4 D2P -13.76062; 10.58794; 9.44562
92.4066; 98.6978; 97.5893
367.779Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.
Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene
Acta Crystallographica Section B, 2006, 62, 287-295
2100449 CIF
Paper
C6 Cl4 D2P -13.799; 10.6258; 9.47938
91.978; 99.058; 96.234
375.132Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.
Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene
Acta Crystallographica Section B, 2006, 62, 287-295
2100450 CIF
Paper
C6 Cl4 D2P 1 21/n 13.78988; 10.50328; 9.56244
90; 99.7184; 90
375.182Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.
Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene
Acta Crystallographica Section B, 2006, 62, 287-295
2100451 CIF
Paper
C6 Cl4 D2P 1 21/n 13.81117; 10.53867; 9.57198
90; 99.7088; 90
378.949Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.
Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene
Acta Crystallographica Section B, 2006, 62, 287-295
2100452 CIF
Paper
C6 Cl4 D2P 1 21/n 13.85595; 10.61473; 9.59283
90; 99.6884; 90
387.033Barnett, Sarah A.; Broder, Charlotte K.; Shankland, Kenneth; David, Bill I. F.; Ibberson, Richard; Tocher, Derek A.
Single-crystal X-ray and neutron powder diffraction investigation of the phase transition in tetrachlorobenzene
Acta Crystallographica Section B, 2006, 62, 287-295
2100453 CIF
Paper
Ce1.86 In8 RhP 4/m m m4.66516; 4.66516; 12.23763
90; 90; 90
266.336E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk
Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials
Acta Crystallographica Section B, 2006, 62, 173-189
2100454 CIF
Paper
RhF m -3 m3.590966; 3.590966; 3.590966
90; 90; 90
46.3056E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk
Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials
Acta Crystallographica Section B, 2006, 62, 173-189
2100455 CIF
Paper
Ce In3P m -3 m4.69074; 4.69074; 4.69074
90; 90; 90
103.211E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk
Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials
Acta Crystallographica Section B, 2006, 62, 173-189
2100456 CIF
Paper
InI 4/m m m3.25094; 3.25094; 4.9474
90; 90; 90
52.287E. G. Moshopoulou; R. M. Ibberson; J. L. Sarrao; J. D. Thompson; Z. Fisk
Structure of Ce~2~RhIn~8~: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials
Acta Crystallographica Section B, 2006, 62, 173-189
2100457 CIF
Paper
C2 H6 O4 SI 1 2/a 18.9007; 5.8099; 10.2451
90; 101.69; 90
518.81Acta Crystallographica, Section B, 2006, 62, 280-286
2100458 CIF
Paper
C2 H6 O4 SF d d 212.0568; 15.9176; 5.8001
90; 90; 90
1113.13Acta Crystallographica, Section B, 2006, 62, 280-286
2100459 CIF
Paper
C2 D6 O4 SI2/a8.68731; 5.82756; 9.94376
90; 100.44; 90
495.076Acta Crystallographica, Section B, 2006, 62, 280-286
2100460 CIF
Paper
C24 H38 N2 O6P 15.9642; 10.4125; 11.7403
108.175; 104.56; 104.087
628.08Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100461 CIF
Paper
C16 H25 N O5P 21 21 215.829; 13.544; 21.7
90; 90; 90
1713.17Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100462 CIF
Paper
C16 H21 N O4 SP 1 21 15.7214; 20.8336; 6.9188
90; 98.409; 90
815.84Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100463 CIF
Paper
C22 H36 N2 O8 S2P 1 21 15.7108; 34.0651; 6.659
90; 90.09; 90
1295.43Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100464 CIF
Paper
C10 H15 N OP 21 21 215.6851; 7.7047; 22.4819
90; 90; 90
984.75Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100465 CIF
Paper
C12 H21 N O4 SP 21 21 215.4877; 11.9057; 22.639
90; 90; 90
1479.1Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100466 CIF
Paper
C12 H19 N O4P 1 21 19.5946; 6.0474; 10.8255
90; 101.607; 90
615.28Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100467 CIF
Paper
C10 H16 Cl N OP 1 21 17.2557; 6.1228; 12.5486
90; 102.223; 90
544.84Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100468 CIF
Paper
C10 H16 N O1.5C 2 2 217.3639; 11.2551; 24.1442
90; 90; 90
2001.1Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100469 CIF
Paper
C14 H21 N O6P 1 21 16.1312; 9.1719; 13.7393
90; 100.909; 90
758.66Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100470 CIF
Paper
C14 H21 N O6P 21 21 215.637; 13.495; 20.525
90; 90; 90
1561.36Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100471 CIF
Paper
C11.5 H17 N O3C 1 2 115.119; 5.784; 13.8788
90; 105.765; 90
1168Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100472 CIF
Paper
C11 H19 N O4 SC 1 2 114.287; 6.1075; 14.993
90; 93.211; 90
1306.2Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100473 CIF
Paper
C10 H16 N2 O4P 1 21 15.5309; 6.8501; 15.6906
90; 97.243; 90
589.73Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100474 CIF
Paper
C10 H18 N O5 PC 1 2 114.6992; 5.6433; 15.2432
90; 97.333; 90
1254.11Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100475 CIF
Paper
C10 H17 N O5 SC 1 2 130.9967; 6.9861; 5.617
90; 93.354; 90
1214.26Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100476 CIF
Paper
C14 H23 N O8P 21 21 216.622; 7.462; 33.216
90; 90; 90
1641.31Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100477 CIF
Paper
C24 H42 N2 O11P 15.9373; 7.0594; 18.3791
80.254; 88.527; 66.247
694.14Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100478 CIF
Paper
C17 H23 N O4 SP 21 21 215.7491; 7.1665; 42.0343
90; 90; 90
1731.85Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
17 salts of ephedrine: crystal structures and packing analysis
Acta Crystallographica Section B, 2006, 62, 498-505
2100479 CIF
Paper
C14 H26 O2P 1 21 15.54; 41.653; 12.025
90; 90.33; 90
2774.8Patrick, Brian O.; Brock, Carolyn Pratt
S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule
Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497
2100480 CIF
Paper
C14 H26 O2P 1 21 15.4816; 41.262; 11.954
90; 90.39; 90
2703.7Patrick, Brian O.; Brock, Carolyn Pratt
S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule
Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497
2100481 CIF
Paper
C14 H26 O2C 1 2/c 123.153; 11.852; 10.926
90; 104.64; 90
2900.9Patrick, Brian O.; Brock, Carolyn Pratt
S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule
Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497
2100482 CIF
Paper
C14 H26 O2C 1 2/c 123.161; 11.584; 10.973
90; 106.1; 90
2828.6Patrick, Brian O.; Brock, Carolyn Pratt
S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule
Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497
2100483 CIF
HKL
Paper
C5 H12 O4I -46.0867; 6.0867; 8.4958
90; 90; 90
314.752Elizabeth A.Zhurova; Vladimir G. Tsirelson; Vladimir V. Zhurov; Adam I. Stash; A. Alan Pinkerton
Chemical bonding in pentaerythritol at very low temperature or at high pressure: an experimental and theoretical study
Acta Crystallographica Section B, 2006, 62, 513-520
2100484 CIF
Paper
Ag14.52 Cu1.48 S11 Sb2P 3 2 115.0954; 15.0954; 11.8825
90; 90; 120
2344.9M. Evain; L. Bindi; S. Menchetti
Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)~16~(Sb,As)~2~S~11~
Acta Crystallographica Section B, 2006, 62, 447-456
2100485 CIF
Paper
Ag14.814 Cu1.186 S11 Sb2C 1 2/c 126.188; 15.1199; 23.784
90; 90; 90
9418M. Evain; L. Bindi; S. Menchetti
Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)~16~(Sb,As)~2~S~11~
Acta Crystallographica Section B, 2006, 62, 447-456
2100486 CIF
HKL
Paper
C22 H20 O3P21/c(\a0\g)007.2527; 24.951; 9.8959
90; 106.645; 90
1715.7Cyril A. Fuhre; Kurt Schenk; Robert Häner; Gervais Chapuis; Nicolas Guiblin; Helen Stoeckli-Evans
The incommensurately modulated structure of a tricyclic natural-product-like compound of empirical formula C~22~H~20~O~3~
Acta Crystallographica Section B, 2006, 62, 506-512
2100487 CIF
Paper
C4 H12 Cl2 Pt S2P 1 21/n 18.4637; 6.0176; 10.1812
90; 105.747; 90
499.08Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke
<i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions
Acta Crystallographica Section B, 2006, 62, 474-479

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