Crystallography Open Database

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Searching year of publication is 2009

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2104604 CIF
Paper
C10 H8 Cu F6 O4P -14.7559; 8.1563; 8.6068
92.436; 102.362; 106.146
311.4Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104605 CIF
Paper
C27 H27 Eu O12P -17.848; 13.019; 13.636
97.41; 97.25; 103.77
1324Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104606 CIF
Paper
C24 H36 Ag2 Cl2 N12 O8P -17.3094; 8.5764; 13.4415
96.464; 93.87; 100.107
820.99Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104607 CIF
Paper
C12 H13 N O2P 1 21 17.89; 5.76; 11.18
90; 90.4; 90
508Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104608 CIF
Paper
C168 H194 N22 Zn2P -113.1202; 16.6253; 17.5706
78.601; 81.694; 89.735
3716.5Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104609 CIF
Paper
C62 H80 Cl N8 Na Ni4 O20C 2 2 2114.737; 22.671; 20.833
90; 90; 90
6960.4Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104610 CIF
Paper
C62 H80 F6 N8 Na Ni4 O16 PC 2 2 2114.8237; 22.6797; 21.3521
90; 90; 90
7178.5Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104611 CIF
Paper
C28 H44 Cl2 F6 N6 O2 P RuP 1 21/m 18.697; 16.353; 12.652
90; 102.78; 90
1754.8Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104612 CIF
Paper
C26 H41 Cu N8 O12.5 SC 1 2/c 118.319; 14.366; 26.75
90; 110.29; 90
6603Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104613 CIF
Paper
C26 H40.5 Co N8 O12.25 SC 1 2/c 118.741; 14.455; 26.423
90; 110.856; 90
6689.01Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104614 CIF
Paper
C17 H26 N3 O2 PC 1 2/c 115.127; 10.928; 22.186
90; 106.339; 90
3519.4Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104615 CIF
Paper
C30 H36 Fe N6 O2 Se2P b a m13.266; 16.846; 16.703
90; 90; 90
3732.8Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104616 CIF
Paper
C10 H8 F6 O4 PtP 1 21/c 14.6688; 19.13; 15.883
90; 100.99; 90
1392.6Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104617 CIF
Paper
C36 H36 Cu2 Mg N4 O11P 1 21/c 111.816; 15.599; 19.642
90; 98.22; 90
3583.2Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104618 CIF
Paper
C44 H50 N2 O4 TiC 1 2/c 125.844; 13.221; 12.663
90; 98.278; 90
4282Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104619 CIF
Paper
C14 H26 Cu N4P b c n11.978; 12.653; 10.363
90; 90; 90
1570.6Marsh, Richard E.
Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
Acta Crystallographica Section B, 2009, 65, 782-783
2104620 CIF
Paper
C6 D7 N OP 41 21 215.4073; 15.4073; 19.6748
90; 90; 90
4670.5Palatinus, Lukáš; Damay, Françoise
Towards a more reliable symmetry determination from powder diffraction: a redetermination of the low-temperature structure of 4-methylpyridine-<i>N</i>-oxide
Acta Crystallographica Section B, 2009, 65, 784-786
2104621 CIF
Paper
K N O3R 3 m :H5.4698; 5.4698; 8.992
90; 90; 120
232.99Freney, Evelyn J.; Garvie, Laurence A. J.; Groy, Thomas L.; Buseck, Peter R.
Growth and single-crystal refinement of phase-III potassium nitrate, KNO~3~
Acta Crystallographica Section B, 2009, 65, 659-663
2104622 CIF
Paper
K N O3R 3 m :H5.4325; 5.4325; 8.8255
90; 90; 120
225.56Freney, Evelyn J.; Garvie, Laurence A. J.; Groy, Thomas L.; Buseck, Peter R.
Growth and single-crystal refinement of phase-III potassium nitrate, KNO~3~
Acta Crystallographica Section B, 2009, 65, 659-663
2104623 CIF
HKL
Paper
C10 H13 Cl N2 O3 SP n a 2126.4353; 5.1398; 9.0845
90; 90; 90
1234.33Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.
A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form
Acta Crystallographica Section B, 2009, 65, 770-781
2104624 CIF
HKL
Paper
C10 H13 Cl N2 O3 SP n a 2119.805; 7.35; 9.1295
90; 90; 90
1329Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.
A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form
Acta Crystallographica Section B, 2009, 65, 770-781
2104625 CIF
HKL
Paper
C10 H13 Cl N2 O3 SP n a 2126.455; 5.1924; 9.1219
90; 90; 90
1253Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.
A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form
Acta Crystallographica Section B, 2009, 65, 770-781
2104626 CIF
HKL
Paper
C10 H13 Cl N2 O3 SP 21 21 2126.657; 5.0938; 8.9941
90; 90; 90
1221.3Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.
A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form
Acta Crystallographica Section B, 2009, 65, 770-781
2104627 CIF
HKL
Paper
C10 H13 Cl N2 O3 SP 21 21 2126.675; 5.1438; 9.037
90; 90; 90
1240Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.
A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form
Acta Crystallographica Section B, 2009, 65, 770-781
2104628 CIF
HKL
Paper
C10 H13 Cl N2 O3 SP 21 21 2126.673; 5.2296; 9.088
90; 90; 90
1267.7Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.
A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form
Acta Crystallographica Section B, 2009, 65, 770-781
2104629 CIF
Paper
?; ;
; ;
King, Graham; Garcia-Martin, Susana; Woodward, Patrick M.
Octahedral tilt twinning and compositional modulation in NaLaMgWO~6~
Acta Crystallographica Section B, 2009, 65, 676-683
2104630 CIF
Paper
C14 H25 N O3P 1 21 127.82406; 5.35267; 5.16992
90; 92.0469; 90
769.48Seijas, Luis E.; Mora, Asiloé J.; Delgado, Gerzon E.; López-Carrasquero, Francisco; Báez, María E.; Brunelli, Michela; Fitch, Andrew N.
Molecular and crystalline structures of three (<i>S</i>)-4-alkoxycarbonyl-2-azetidinones containing long alkyl side chains from synchrotron X-ray powder diffraction data
Acta Crystallographica Section B, 2009, 65, 724-730
2104631 CIF
Paper
C16 H29 N O3P 1 21 131.08412; 5.35782; 5.21197
90; 94.1094; 90
865.786Seijas, Luis E.; Mora, Asiloé J.; Delgado, Gerzon E.; López-Carrasquero, Francisco; Báez, María E.; Brunelli, Michela; Fitch, Andrew N.
Molecular and crystalline structures of three (<i>S</i>)-4-alkoxycarbonyl-2-azetidinones containing long alkyl side chains from synchrotron X-ray powder diffraction data
Acta Crystallographica Section B, 2009, 65, 724-730
2104632 CIF
Paper
C20 H37 N O3P 1 21 137.15863; 5.35911; 5.30974
90; 92.1693; 90
1056.61Seijas, Luis E.; Mora, Asiloé J.; Delgado, Gerzon E.; López-Carrasquero, Francisco; Báez, María E.; Brunelli, Michela; Fitch, Andrew N.
Molecular and crystalline structures of three (<i>S</i>)-4-alkoxycarbonyl-2-azetidinones containing long alkyl side chains from synchrotron X-ray powder diffraction data
Acta Crystallographica Section B, 2009, 65, 724-730
2104633 CIF
HKL
Paper
C33 H23 N OP 1 21/c 111.1055; 11.6712; 18.0627
90; 102.675; 90
2284.13Farrugia, Louis J.; Kočovský, Pavel; Senn, Hans Martin; Vyskočil, Štěpán
Weak intra- and intermolecular interactions in a binaphthol imine: an experimental charge-density study on (±)-8'-benzhydrylideneamino-1,1'-binaphthyl-2-ol
Acta Crystallographica Section B, 2009, 65, 757-769
2104634 CIF
Paper
C28 H10 Co4 O12P 1 21/n 18.8195; 17.5085; 18.308
90; 90.444; 90
2826.97Overgaard, Jacob; Platts, Jamie A.; Iversen, Bo B.
Experimental and theoretical charge-density study of a tetranuclear cobalt carbonyl complex
Acta Crystallographica Section B, 2009, 65, 715-723
2104635 CIF
Paper
C129 H132 Ag2 Br2 N P6P n a 2120.574; 25.593; 10.586
90; 90; 90
5574.1Omondi, Bernard; Venter, Gertruida J. S.; Roodt, Andreas; Meijboom, Reinout
Isomorphism in monomeric 1:3 complexes of silver(I) salts with tri-<i>p</i>-tolylphosphine
Acta Crystallographica Section B, 2009, 65, 699-706
2104636 CIF
Paper
C128 H126 Ag2 N2 O P6 S2P n a 2120.134; 25.899; 10.636
90; 90; 90
5546.1Omondi, Bernard; Venter, Gertruida J. S.; Roodt, Andreas; Meijboom, Reinout
Isomorphism in monomeric 1:3 complexes of silver(I) salts with tri-<i>p</i>-tolylphosphine
Acta Crystallographica Section B, 2009, 65, 699-706
2104637 CIF
Paper
C66 H69 Ag Cl O5 P3P n a 2119.8625; 25.3785; 11.6858
90; 90; 90
5890.6Omondi, Bernard; Venter, Gertruida J. S.; Roodt, Andreas; Meijboom, Reinout
Isomorphism in monomeric 1:3 complexes of silver(I) salts with tri-<i>p</i>-tolylphosphine
Acta Crystallographica Section B, 2009, 65, 699-706
2104638 CIF
HKL
Paper
C14 H18 O10P 21 21 217.488; 13.934; 14.275
90; 90; 90
1489.4Dittrich, Birger; Weber, Manuela; Kalinowski, Roman; Grabowsky, Simon; Hübschle, Christian B.; Luger, Peter
How to easily replace the independent atom model – the example of bergenin, a potential anti-HIV agent of traditional Asian medicine
Acta Crystallographica Section B, 2009, 65, 749-756
2104639 CIF
HKL
Paper
C5 H13 N O3P b c a9.4715; 11.4963; 13.0802
90; 90; 90
1424.27Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104640 CIF
HKL
Paper
C5 H13 N O3P b c a9.431; 11.438; 13.018
90; 90; 90
1404.3Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104641 CIF
HKL
Paper
C5 H13 N O3P b c a9.1517; 11.1659; 12.5744
90; 90; 90
1284.9Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104642 CIF
HKL
Paper
C5 H13 N O3P b c a9.0252; 11.0298; 12.335
90; 90; 90
1227.9Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104643 CIF
HKL
Paper
C5 H13 N O3P b c a8.944; 10.9336; 12.1698
90; 90; 90
1190.09Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104644 CIF
HKL
Paper
C5 H13 N O3P b c a8.8854; 10.8632; 12.0516
90; 90; 90
1163.27Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104645 CIF
HKL
Paper
C5 H13 N O3P b c a8.8458; 10.8143; 11.9708
90; 90; 90
1145.14Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104646 CIF
HKL
Paper
C5 H13 N O3P b c a8.8188; 10.7838; 11.9105
90; 90; 90
1132.7Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104647 CIF
Paper
C5 H13 N O3P b c a8.7881; 10.735; 11.859
90; 90; 90
1118.8Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104648 CIF
HKL
Paper
C5 H13 N O3P b c a8.7873; 10.71; 11.8632
90; 90; 90
1116.5Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104649 CIF
HKL
Paper
C5 H13 N O3P b c a8.778; 10.656; 11.884
90; 90; 90
1111.6Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104650 CIF
HKL
Paper
C3 H9 N O6 SP 21 21 216.9233; 19.0222; 5.303
90; 90; 90
698.39Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104651 CIF
HKL
Paper
C3 H9 N O6 SP 21 21 216.8922; 19.0021; 5.2919
90; 90; 90
693.06Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104652 CIF
HKL
Paper
C3 H9 N O6 SP 21 21 216.7622; 18.7945; 5.2343
90; 90; 90
665.24Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104653 CIF
HKL
Paper
C3 H9 N O6 SP 21 21 216.6284; 18.508; 5.1615
90; 90; 90
633.2Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104654 CIF
HKL
Paper
C3 H9 N O6 SP 21 21 216.549; 18.259; 5.1169
90; 90; 90
611.87Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104655 CIF
HKL
Paper
C3 H9 N O6 SP 21 21 216.4955; 18; 5.093
90; 90; 90
595.47Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104656 CIF
HKL
Paper
C3 H9 N O6 SP 21 21 216.4885; 17.834; 5.0983
90; 90; 90
590Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104657 CIF
HKL
Paper
C9 H13 N O6 SP 1 21 16.5299; 7.6432; 11.6081
90; 93.59; 90
578.22Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104658 CIF
HKL
Paper
C9 H13 N O6 SP 1 21 16.4946; 7.6198; 11.5599
90; 93.306; 90
571.12Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104659 CIF
HKL
Paper
C9 H13 N O6 SP 1 21 16.3782; 7.4754; 11.445
90; 92.591; 90
545.14Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104660 CIF
HKL
Paper
C9 H13 N O6 SP 1 21 110.2176; 8.2463; 12.6853
90; 114.238; 90
974.61Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104661 CIF
HKL
Paper
C9 H13 N O6 SP 1 21 19.9602; 8.1894; 12.475
90; 113.06; 90
936.3Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104662 CIF
HKL
Paper
C9 H13 N O6 SP 1 21 19.7934; 8.1603; 12.3534
90; 112.384; 90
912.86Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104663 CIF
HKL
Paper
C9 H13 N O6 SP 1 21 19.7046; 8.1477; 12.3071
90; 112.034; 90
902.05Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104664 CIF
HKL
Paper
C9 H13 N O6 SP 1 21 19.6213; 8.129; 12.298
90; 112.049; 90
891.5Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2104665 CIF
HKL
Paper
C9 H13 N O6 SP 1 21 19.5437; 8.1824; 12.151
90; 111.3; 90
884.1Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.
Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition
Acta Crystallographica Section B, 2009, 65, 731-748
2105702 CIFC3 H4 OP b c a6.97; 9.514; 9.752
90; 90; 90
646.7Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd
Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test
Acta Crystallographica Section B Structural Science, 2009, 65, 107-125
2105703 CIFC6 H2 Br2 Cl FP 1 21/c 13.8943; 13.5109; 14.4296
90; 93.636; 90
757.69Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd
Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test
Acta Crystallographica Section B Structural Science, 2009, 65, 107-125
2105704 CIFC10 H10 N2 S3P 1 21/c 113.06; 9.738; 9.335
90; 105.8; 90
1142.4Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd
Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test
Acta Crystallographica Section B Structural Science, 2009, 65, 107-125
2105705 CIFC13 H15 N3 O2P 1 21/n 17.2795; 13.6699; 12.6695
90; 96.646; 90
1252.3Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd
Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test
Acta Crystallographica Section B Structural Science, 2009, 65, 107-125
2105706 CIF
Paper
Br4 SiP a -311.17701; 11.17701; 11.17701
90; 90; 90
1396.29Wolf, Alexandra K.; Glinnemann, Jürgen; Schmidt, Martin U.; Tong, Jianwei; Dinnebier, Robert E.; Simon, Arndt; Köhler, Jürgen
SiBr4– prediction and determination of crystal structures
Acta Crystallographica Section B Structural Science, 2009, 65, 342-349
2105707 CIF
Paper
Br4 SiP 1 21/c 110.1319; 6.7002; 10.2389
90; 102.665; 90
678.16Wolf, Alexandra K.; Glinnemann, Jürgen; Schmidt, Martin U.; Tong, Jianwei; Dinnebier, Robert E.; Simon, Arndt; Köhler, Jürgen
SiBr4– prediction and determination of crystal structures
Acta Crystallographica Section B Structural Science, 2009, 65, 342-349
2220396 CIF
HKL
Paper
C10 H11 N3 O3P -18.4453; 9.5438; 14.82
72.66; 77.37; 75.59
1090.8Li, Yu-Feng; Du, Lian-Cai; Jian, Fang-Fang
<i>N</i>'-[1-(4-Nitrophenyl)ethylidene]acetohydrazide
Acta Crystallographica Section E, 2009, 65, o74
2220397 CIF
HKL
Paper
C5 H8 O6 S2P b n 216.0489; 12.8431; 21.583
90; 90; 90
1676.7Rao, Zai-Ying; Xiao, Xin; Zhang, Yun-Qiang; Xue, Sai-Feng; Tao, Zhu
2,4,8,10-Tetraoxa-3,9-dithiaspiro[5.5]undecane 3,9-dioxide
Acta Crystallographica Section E, 2009, 65, o36
2220398 CIF
HKL
Paper
C34 H30 F2 N6 O4C 1 2/c 113.923; 12.509; 18.726
90; 97.08; 90
3236.5Wang, Xiang; Ma, Zuan; Chen, Yu-Lu
2,2'-Bis(4-fluoroanilino)-3,3'-(3,6-dioxaoctane-1,8-diyl)diquinazolin-4(3<i>H</i>)-one
Acta Crystallographica Section E, 2009, 65, o53
2220399 CIF
HKL
Paper
C28 H30 I N6 Na O4P 1 21/n 18.6078; 13.1842; 13.2508
90; 101.654; 90
1472.8Cui, Lian-Sheng; Yin, Han-Dong; Yang, Ming-Lei; Wang, Da-Qi
Dimethanolbis[<i>N</i>'-(3-pyridylmethylene)benzohydrazide]sodium(I) iodide
Acta Crystallographica Section E, 2009, 65, m38
2220400 CIF
HKL
Paper
C34 H20 Cl2 N4 O4C 1 2/c 128.043; 11.3563; 21.5497
90; 122.744; 90
5772.3Yang, Hai-Zhou; Gao, Hai-Tao; Yang, Xu-Hong
3,3'-Bis(4-chlorophenyl)-2,2'-(<i>m</i>-phenylenedioxy)diquinazolin-4(3<i>H</i>)-one
Acta Crystallographica Section E, 2009, 65, o59-o60
2220401 CIF
HKL
Paper
C28 H32 Br0.97 Cl1.03 N2 RuP 1 21/n 17.6336; 27.725; 12.051
90; 98.8; 90
2520.5Arslan, Hakan; VanDerveer, Don; Özdemir, İsmail; Demir, Serpil; Çetinkaya, Bekir
Bromido[1-(η^6^-4-<i>tert</i>-butylbenzyl)-3-(2,4,6-trimethylbenzyl)benzimidazol-2-ylidene]chloridoruthenium(II)
Acta Crystallographica Section E, 2009, 65, m97-m98
2220402 CIF
HKL
Paper
C13 H12 N2 O4 S2P -18.019; 10.037; 10.662
76.44; 67.997; 74.964
759.3Li, Qian-Zhu; Song, Bao-An; Yang, Song; Zheng, Yu-Guo; Guo, Qing-Qing
(<i>Z</i>)-Methyl 4-(1,3-benzothiazol-2-ylsulfanyl)-2-(methoxyimino)-3-oxobutanoate
Acta Crystallographica Section E, 2009, 65, o37
2220403 CIF
HKL
Paper
C11 H14 N2 SP 1 21/c 111.195; 8.5694; 11.414
90; 108.03; 90
1041.2Jiang, Jin-He
<i>N</i>-Phenylpyrrolidine-1-carbothioamide
Acta Crystallographica Section E, 2009, 65, o52
2220404 CIF
HKL
Paper
C17 H9 Cl2 N O3P 1 21/c 15.6011; 8.7237; 29.7957
90; 93.504; 90
1453.17Brandy, Yakini; Butcher, Ray J.; Adesiyun, Tolulope A.; Berhe, Solomon; Bakare, Oladapo
2-Chloro-3-(4-chlorobenzamido)-1,4-naphthoquinone
Acta Crystallographica Section E, 2009, 65, o64
2220405 CIF
HKL
Paper
C15 H17 F6 N O5P 1 21 16.677; 8.451; 16.366
90; 100.05; 90
909.3Zhu, Hai-Bin; Ji, Jun-Feng; Wang, Hai
(<i>S</i>)-1-[3,5-Bis(trifluoromethyl)phenyl]-<i>N</i>-methylethylamine–(<i>R</i>)-2-hydroxybutanedioic acid (1/1)
Acta Crystallographica Section E, 2009, 65, o197
2220406 CIF
HKL
Paper
C16 H24 Br2 N2 O2P 1 21 19.249; 9.35; 21.82
90; 99.122; 90
1863Zhang, Yun-Qian; Zhang, Qi-Long; Zhu, Bi-Xue
3,3'-Dibromo-4,4'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diyldiimino]dipent-3-en-2-one
Acta Crystallographica Section E, 2009, 65, o203-o204
2220407 CIF
HKL
Paper
C12 H18 Cl4 Cu N4C 1 2/c 111.313; 12.272; 14.264
90; 113.201; 90
1820.2Al-Far, Rawhi H.; Ali, Basem Fares
Bis(2-amino-4-methylpyridinium) tetrachloridocuprate(II)
Acta Crystallographica Section E, 2009, 65, m73-m74
2220408 CIF
HKL
Paper
C48 H36 Cl2 N2 O5 Sb2P 1 21/n 120.477; 9.622; 22.513
90; 94.978; 90
4419Quan, Li; Yin, Handong; Wang, Daqi
μ-Oxido-bis[(2-chloronicotinato-κ<i>O</i>)triphenylantimony(V)]
Acta Crystallographica Section E, 2009, 65, m99
2220409 CIF
HKL
Paper
C28 H20 Cd2 Cl4 N8C 1 2/c 111.824; 10.784; 22.828
90; 91.1; 90
2910.3Liu, Ge
Di-μ-chlorido-bis[(2,2'-bibenzimidazole)chloridocadmium(II)]
Acta Crystallographica Section E, 2009, 65, m37
2220410 CIF
HKL
Paper
C17 H14 Cl N5 O SP 1 21/c 117.0185; 8.0905; 12.8292
90; 105.962; 90
1698.32Fun, Hoong-Kun; Jebas, Samuel Robinson; Rao, Jyothi N.; Kalluraya, B.
3-Benzamidomethyl-4-[(<i>E</i>)-2-chlorobenzylideneamino]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione
Acta Crystallographica Section E, 2009, 65, o48
2220411 CIF
HKL
Paper
C17 H27 Cl2 N3 O4P 21 21 218.0984; 11.1594; 21.843
90; 90; 90
1974Tong, Tai-Feng; Zhao, Jian; Cheng, Lin; Zhang, Yi-Hua
3-[(4-Amino-5-chloro-2-ethoxybenzamido)methyl]pyrrolo[2,1-<i>c</i>][1,4]oxazin-5-ium chloride monohydrate
Acta Crystallographica Section E, 2009, 65, o14
2220412 CIF
HKL
Paper
C11 H16 O3P 1 21/n 15.3568; 22.3758; 8.3376
90; 99.593; 90
985.39Efthimiopoulos, Georgia; Davison, Mark; Lalancette, Roger A.; Thompson, Hugh W.
(2<i>SR</i>,4a<i>SR</i>,8a<i>SR</i>)-6-Oxoperhydronaphthalene-2-carboxylic acid
Acta Crystallographica Section E, 2009, 65, o168
2220413 CIF
HKL
Paper
C19 H15 N OP 1 21/c 112.1188; 11.4342; 10.956
90; 102.082; 90
1484.53Wang, Hongli; Xu, Wenyuan; Zhang, Bin; Xiao, Wenjing; Wu, Hong
4-(Diphenylamino)benzaldehyde
Acta Crystallographica Section E, 2009, 65, o149
2220414 CIF
HKL
Paper
C21 H14 Cd N4 O2 SP 1 21/c 19.2195; 8.2577; 25.62
90; 103.215; 90
1898.8Cheng, Lin; Sun, Yan-Yan; Zhang, Ya-Wen; Wang, Jian-Quan
<i>catena</i>-Poly[[(1,10-phenanthroline)cadmium(II)]-μ-2-(1,3-benzimidazol-2-ylsulfanyl)acetato-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^3^]
Acta Crystallographica Section E, 2009, 65, m34
2220415 CIF
HKL
Paper
C23 H36 Eu N5 Ni O17P 1 21/c 113.062; 11.105; 22.122
90; 90.81; 90
3208.6Liu, Fei
{μ-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}dimethanoltrinitratonickel(II)europium(III) methanol disolvate
Acta Crystallographica Section E, 2009, 65, m108
2220416 CIF
HKL
Paper
C15 H16 O3P 21 21 219.5648; 11.1631; 11.5542
90; 90; 90
1233.67Rademeyer, M.; van Heerden, F. R.; van der Merwe, M. M.
Dehydrobrachylaenolide: an eudesmane-type sesquiterpene lactone
Acta Crystallographica Section E, 2009, 65, o196
2220417 CIF
HKL
Paper
C10 H22 O2P 21 21 29.7799; 16.3879; 6.9771
90; 90; 90
1118.23Kerscher, Tobias; Betz, Richard; Klüfers, Peter; Mayer, Peter
(1<i>S</i>*,2<i>S</i>*)-1,2-Di-<i>tert</i>-butylglycol
Acta Crystallographica Section E, 2009, 65, o211
2220418 CIF
HKL
Paper
C24 H12 Br Cl2 N O4P 1 21/n 112.859; 7.8126; 21.9574
90; 106.272; 90
2117.53Akinboye, Emmanuel S.; Butcher, Ray J.; Brandy, Yakini; Adesiyun, Tolulope A.; Bakare, Oladapo
<i>N</i>-(3-Bromo-1,4-dioxo-1,4-dihydro-2-naphthyl)-2-chloro-<i>N</i>-(2-chlorobenzoyl)benzamide
Acta Crystallographica Section E, 2009, 65, o24
2220419 CIF
HKL
Paper
C24 H40 Ag2 Cl6 N14 O4 P6P -19.3224; 10.619; 12.257
78.916; 71.558; 76.107
1108.4Panzner, Matthew J.; Youngs, Wiley J.; Tessier, Claire A.
A crystallographically isolated dimeric hydrolyzed chlorophosphazene dianion
Acta Crystallographica Section E, 2009, 65, m105
2220420 CIF
HKL
Paper
Cs2 H8 Mg O16 P4P -17.0935; 7.4606; 8.023
83.776; 68.558; 87.85
392.87Essehli, Rachid; El Bali, Brahim; Lachkar, Mohammed; Bolte, Michael
Dicaesium magnesium bis(dihydrogen phosphate(V)) dihydrate
Acta Crystallographica Section E, 2009, 65, i3
2220421 CIF
HKL
Paper
C10 H12 F N O3P 1 21/c 19.741; 4.8439; 21.634
90; 98.082; 90
1010.6Xie, Kai; Lou, Yuan-yuan; Zheng, Jin; Zhao, Qing-jie; Wei, Ya-bing
2'-Fluoro-3',5'-dimethoxyacetanilide
Acta Crystallographica Section E, 2009, 65, o205
2220422 CIF
HKL
Paper
C27 H24 Br3 Mn N4 O3P -19.5892; 11.7558; 13.417
80.041; 78.084; 89.069
1457.3Hwang, In-Chul; Ha, Kwang
{Tris[2-(5-bromo-2-oxidobenzylideneamino)ethyl]amine}manganese(III)
Acta Crystallographica Section E, 2009, 65, m63
2220423 CIF
HKL
Paper
C85.5 H114 N8 O20 S8P 1 21/c 119.1229; 28.3879; 17.3819
90; 102.808; 90
9201.1Ravindran Durai Nayagam, B.; Jebas, Samuel Robinson; Selvarathy Grace, P.; Schollmeyer, Dieter
Tetrakis{2,4-bis[(1-oxo-2-pyridyl)sulfanylmethyl]mesitylene} acetone hemisolvate 11.5-hydrate
Acta Crystallographica Section E, 2009, 65, o129-o130
2220424 CIF
HKL
Paper
C21 H14 Fe N2 O7P -19.5925; 10.8971; 11.1998
96.221; 111.32; 111.736
972.3Cheng, Lin; Zhang, Ya-Wen; Sun, Yan-Yan; Wang, Jian-Quan
<i>catena</i>-Poly[bis[(1,10-phenanthroline)iron(II)]-bis(μ-5-carboxybenzene-1,3-dicarboxylato)]
Acta Crystallographica Section E, 2009, 65, m14
2220425 CIF
HKL
Paper
C26 H28 O2 SP 21 21 2111.9654; 13.0262; 27.9441
90; 90; 90
4355.5Gunasekaran, B.; Murugan, R.; Narayanan, S. Sriman; Manivannan, V.
(<i>E</i>)-3-Hydroxy-13-methyl-16-[4-(methylsulfanyl)benzylidene]-7,8,9,11,12,13,15,16-octahydro-6<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17(14<i>H</i>)-one
Acta Crystallographica Section E, 2009, 65, o73
2220426 CIF
HKL
Paper
C28 H16 F4 Ir N3 O2P b c a16.469; 14.677; 19.612
90; 90; 90
4740.5Xu, Mao-Liang; Che, Guang-Bo; Li, Xiu-Ying; Xiao, Qi
Bis[3,5-difluoro-2-(2-pyridyl)phenyl](picolinato)iridium(III)
Acta Crystallographica Section E, 2009, 65, m28
2220427 CIF
HKL
Paper
C12 H18 Cl N OP b c a9.8693; 9.5732; 24.989
90; 90; 90
2361Bian, Yan-Jiang
<i>N</i>-Benzyl-<i>N</i>-methylmorpholinium chloride
Acta Crystallographica Section E, 2009, 65, o38

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