Crystallography Open Database

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2102783 CIF
Paper
C7 H6 O4P 1 21/n 13.6721; 22.341; 8.007
90; 99.602; 90
647.68Parkin, Andrew; Adam, Martin; Cooper, Richard I.; Middlemiss, Derek S.; Wilson, Chick C.
Structure and hydrogen bonding in 2,4-dihydroxybenzoic acid at 90, 100, 110 and 150K; a theoretical and single-crystal X-ray diffraction study
Acta Crystallographica Section B, 2007, 63, 303-308
2102784 CIF
HKL
Paper
C7 H6 O4P 1 21/n 13.6742; 22.341; 8.0065
90; 99.567; 90
648.08Parkin, Andrew; Adam, Martin; Cooper, Richard I.; Middlemiss, Derek S.; Wilson, Chick C.
Structure and hydrogen bonding in 2,4-dihydroxybenzoic acid at 90, 100, 110 and 150K; a theoretical and single-crystal X-ray diffraction study
Acta Crystallographica Section B, 2007, 63, 303-308
2102785 CIF
Paper
C7 H6 O4P 1 21/n 13.6854; 22.367; 8.0085
90; 99.448; 90
651.2Parkin, Andrew; Adam, Martin; Cooper, Richard I.; Middlemiss, Derek S.; Wilson, Chick C.
Structure and hydrogen bonding in 2,4-dihydroxybenzoic acid at 90, 100, 110 and 150K; a theoretical and single-crystal X-ray diffraction study
Acta Crystallographica Section B, 2007, 63, 303-308
2102786 CIF
HKL
Paper
C6 H3 N5 O6P c a 2113.3229; 7.0005; 9.3471
90; 90; 90
871.78Chen, Yu-Sheng; Stash, Adam I.; Pinkerton, A. Alan
Chemical bonding and intermolecular interactions in energetic materials: 1,3,4-trinitro-7,8-diazapentalene
Acta Crystallographica, Section B: Structural Science, 2007, 63, 309-318
2102787 CIF
Paper
Ca3.333 Nb2.666 O11.333 Ti0.6677.6889; 5.3381; 5.4763
90; 90; 89.921
224.77Guevarra, Jonathan; van Smaalen, Sander; Schönleber, Andreas; Lichtenberg, Frank
Superspace description of the crystal structures of Ca~<i>n~</i>(Nb,Ti)~<i>n~</i>O~3<i>n~+2</i> (<i>n</i> = 5 and 6)
Acta Crystallographica Section B, 2007, 63, 183-189
2102788 CIF
Paper
Ca3.429 Nb2.606 O11.429 Ti0.8237.6805; 5.3641; 5.4653
90; 90; 90.036
225.165Guevarra, Jonathan; van Smaalen, Sander; Schönleber, Andreas; Lichtenberg, Frank
Superspace description of the crystal structures of Ca~<i>n~</i>(Nb,Ti)~<i>n~</i>O~3<i>n~+2</i> (<i>n</i> = 5 and 6)
Acta Crystallographica Section B, 2007, 63, 183-189
2102789 CIF
HKL
Paper
Cl2 H8 Mg O4C m c m4.21616; 11.023; 7.2951
90; 90; 90
339.04Sugimoto, Kunihisa; E. Dinnebier, Robert; Jonathan C. Hanson
Structures of three dehydration products of bischofite from <i>in situ</i> synchrotron powder diffraction data (MgCl~2~·<i>n</i>H~2~O; <i>n</i> = 1, 2, 4)
Acta Crystallographica Section B, 2007, 63, 235-242
2102790 CIF
Paper
Cl2 H4 Mg O2C 1 2/m 17.4279; 8.5736; 3.65065
90; 98.58; 90
229.89Sugimoto, Kunihisa; E. Dinnebier, Robert; Jonathan C. Hanson
Crystal structures of dehydration products of Bischofite, MgCl2 nH2O (n = 1, 2, 4) from in situ synchrotron powder diffraction data
Acta Crystallographica, Section B, 2007, 63, 235-242
2102791 CIF
Paper
Cl2 H2 Mg OP n m a8.9171; 3.63421; 11.4775
90; 90; 90
371.95Sugimoto, Kunihisa; E. Dinnebier, Robert; Jonathan C. Hanson
Crystal structures of dehydration products of Bischofite, MgCl2 nH2O (n = 1, 2, 4) from in situ synchrotron powder diffraction data
Acta Crystallographica, Section B, 2007, 63, 235-242
2102792 CIF
Paper
?R -3 m :H3.04245; 3.04245; 22.6641426
90; 90; 120
181.68Radha A. V.; Kamath, P. Vishnu; Shivakumara, C.
Order and disorder among the layered double hydroxides: a combined Rietveld and DIFFaX approach
Acta Crystallographica, Section B: Structural Science, 2007, 63, 243-250
2102793 CIF
Paper
?R -3 m :H3.066045; 3.066045; 22.5931129
90; 90; 120
183.93Radha A. V.; Kamath, P. Vishnu; Shivakumara, C.
Order and disorder among the layered double hydroxides: a combined Rietveld and DIFFaX approach
Acta Crystallographica, Section B: Structural Science, 2007, 63, 243-250
2102794 CIF
Paper
Ca5 V3 O12 FP -19.6987; 9.6933; 7.017
90.637; 89.172; 120.136
570.46Baikie, T; Elcombe, M; Kim, J.Y; Mercier, P.H.J; Mitchell, L.D; White, T.J; Whitfield, P.S
Triclinic apatites
Acta Crystallographica, Section B, 2007, 63, 251-256
2102795 CIF
Paper
Ca5 As3 O12 FP -19.6841; 9.6906; 6.9815
90.623; 88.869; 120.371
565.15Baikie, T; Elcombe, M; Kim, J.Y; Mercier, P.H.J; Mitchell, L.D; White, T.J; Whitfield, P.S
Triclinic apatites
Acta Crystallographica, Section B, 2007, 63, 251-256
2102796 CIF
Paper
C13 H9 Br OP 1 21/c 112.124; 14.646; 6.1585
90; 97.38; 90
1084.5Strzhemechny, Mikhail A.; Baumer, Vyacheslav N.; Avdeenko, Anatoli A.; Pyshkin, Oleg S.; Romashkin, Roman V.; Buravtseva, Lyubov M.
Polymorphism of 4-bromobenzophenone
Acta Crystallographica Section B, 2007, 63, 296-302
2102797 CIF
Paper
C13 H9 Br OP 1 21/c 112.092; 14.343; 6.1243
90; 97.26; 90
1053.7Strzhemechny, Mikhail A.; Baumer, Vyacheslav N.; Avdeenko, Anatoli A.; Pyshkin, Oleg S.; Romashkin, Roman V.; Buravtseva, Lyubov M.
Polymorphism of 4-bromobenzophenone
Acta Crystallographica Section B, 2007, 63, 296-302
2102798 CIF
Paper
C13 H9 Br OP -16.1056; 7.2931; 12.0999
98.197; 98.735; 91.111
526.64Strzhemechny, Mikhail A.; Baumer, Vyacheslav N.; Avdeenko, Anatoli A.; Pyshkin, Oleg S.; Romashkin, Roman V.; Buravtseva, Lyubov M.
Polymorphism of 4-bromobenzophenone
Acta Crystallographica Section B, 2007, 63, 296-302
2102799 CIF
Paper
As3 Cs O8C 1 2/c 18.515; 11.69; 7.595
90; 112.7; 90
697.4Schwendtner, Karolina; Kolitsch, Uwe
Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members
Acta Crystallographica Section B, 2007, 63, 205-215
2102800 CIF
Paper
As4 H3 K O12P -15.154; 6.967; 7.532
63.9; 78.61; 84.35
238.08Schwendtner, Karolina; Kolitsch, Uwe
Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members
Acta Crystallographica Section B, 2007, 63, 205-215
2102801 CIF
Paper
As2 H K O6P 1 21/c 16.051; 9.727; 9.054
90; 94.21; 90
531.46Schwendtner, Karolina; Kolitsch, Uwe
Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members
Acta Crystallographica Section B, 2007, 63, 205-215
2102802 CIF
Paper
As3 H2 Li O9P 1 21/n 19.666; 8.553; 9.97
90; 117.86; 90
728.7Schwendtner, Karolina; Kolitsch, Uwe
Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members
Acta Crystallographica Section B, 2007, 63, 205-215
2102803 CIF
Paper
As4 H6 Li2 O14C 1 2/m 111.456; 9.133; 5.63
90; 115.56; 90
531.4Schwendtner, Karolina; Kolitsch, Uwe
Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members
Acta Crystallographica Section B, 2007, 63, 205-215
2102804 CIF
Paper
As4 H3 O12 RbP -15.169; 7.036; 7.766
63.31; 79.87; 84.38
248.36Schwendtner, Karolina; Kolitsch, Uwe
Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members
Acta Crystallographica Section B, 2007, 63, 205-215
2102805 CIF
HKL
Paper
Ag As3 H2 O9P -17.162; 7.678; 7.88
110.72; 106.47; 105.43
354.8Schwendtner, Karolina; Kolitsch, Uwe
Octahedral As in <i>M</i>^+^ arsenates ‒ architecture and seven new members
Acta Crystallographica Section B, 2007, 63, 205-215
2102806 CIF
Paper
Br3 Cs EuP b n m8.242; 8.3027; 11.785
90; 90; 90
806.5Ehrenberg, Helmut; Fuess, Hartmut; Hesse, Sabine; Zimmermann, Joerg; von Seggern, Heinz; Knapp, Michael
Structures of CsEuBr~3~ and its degradation product Cs~2~EuBr~5~·10H~2~O
Acta Crystallographica Section B, 2007, 63, 201-204
2102807 CIF
Paper
Br5 Cs2 Eu H20 O10P b c m8.047; 13.998; 19.558
90; 90; 90
2203.1Ehrenberg, Helmut; Fuess, Hartmut; Hesse, Sabine; Zimmermann, Joerg; von Seggern, Heinz; Knapp, Michael
Structures of CsEuBr~3~ and its degradation product Cs~2~EuBr~5~·10H~2~O
Acta Crystallographica Section B, 2007, 63, 201-204
2102808 CIF
Paper
C13 H13 N O4P -110.6031; 11.5968; 5.5032
97.879; 103.891; 71.457
621.434Ľubomír Smrčok; Vladimír Jorík; Eva Scholtzovaá; Viktor Milata
<i>Ab initio</i> structure determination of 5-anilinomethylene-2,2-dimethyl-1,3-dioxane-4,6-dione from laboratory powder data ‒ a combined use of X-ray, molecular and solid-state DFT study
Acta Crystallographica Section B, 2007, 63, 477-484
2102809 CIF
Paper
C6 H12 N2 O8P 1 21/n 14.934; 9.955; 10.854
90; 97.44; 90
528.6Chitra, R.; Choudhury, R. R
Investigation of hydrogen-bond network in bis(glycinium) oxalate using single-crystal neutron diffraction and spectroscopic studies
Acta Crystallographica Section B, 2007, 63, 497-504
2102810 CIF
Paper
C10 H20 N4 O8P -15.4876; 10.021; 13.868
109.079; 94.378; 94.538
714.2Selvaraj, M.; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.
X-ray studies of crystalline complexes involving amino acids and peptides. XLIV. Invariant features of supramolecular association and chiral effects in the complexes of arginine and lysine with tartaric acid
Acta Crystallographica Section B, 2007, 63, 459-468
2102811 CIF
Paper
C16 H34 N8 O10P 1 21 19.907; 8.7428; 14.076
90; 109.412; 90
1149.9Selvaraj, M.; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.
X-ray studies of crystalline complexes involving amino acids and peptides. XLIV. Invariant features of supramolecular association and chiral effects in the complexes of arginine and lysine with tartaric acid
Acta Crystallographica Section B, 2007, 63, 459-468
2102812 CIF
Paper
C16 H36 N4 O11P 1 21/c 110.087; 23.003; 9.414
90; 90.82; 90
2184.1Selvaraj, M.; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.
X-ray studies of crystalline complexes involving amino acids and peptides. XLIV. Invariant features of supramolecular association and chiral effects in the complexes of arginine and lysine with tartaric acid
Acta Crystallographica Section B, 2007, 63, 459-468
2102813 CIF
Paper
C10 H20 N2 O8P 1 21 15.1849; 16.667; 7.6701
90; 96.366; 90
658.7Selvaraj, M.; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.
X-ray studies of crystalline complexes involving amino acids and peptides. XLIV. Invariant features of supramolecular association and chiral effects in the complexes of arginine and lysine with tartaric acid
Acta Crystallographica Section B, 2007, 63, 459-468
2102814 CIF
Paper
C10 H20 N2 O8P 1 21 15.1022; 17.444; 7.547
90; 97.748; 90
665.6Selvaraj, M.; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.
X-ray studies of crystalline complexes involving amino acids and peptides. XLIV. Invariant features of supramolecular association and chiral effects in the complexes of arginine and lysine with tartaric acid
Acta Crystallographica Section B, 2007, 63, 459-468
2102815 CIF
Paper
C2 H2 Cs2 O5C 1 2/c 110.0748; 6.6473; 11.2997
90; 107.189; 90
722.94Weller, Mark T.; Henry, Paul F.; Light, Mark E.
Rapid structure determination of the hydrogen-containing compound Cs~2~C~2~O~4~·H~2~O by joint single-crystal X-ray and powder neutron diffraction
Acta Crystallographica Section B, 2007, 63, 426-432
2102816 CIF
Paper
C2 H2 Cs2 O5C 1 2/c 110.1127; 6.6535; 11.3257
90; 107.19; 90
728Weller, Mark T.; Henry, Paul F.; Light, Mark E.
Rapid structure determination of the hydrogen-containing compound Cs~2~C~2~O~4~·H~2~O by joint single-crystal X-ray and powder neutron diffraction
Acta Crystallographica Section B, 2007, 63, 426-432
2102817 CIF
Paper
C2 H2 Cs2 O5C 1 2/c 110.075; 6.6473; 11.2997
90; 107.189; 90
722.9Weller, Mark T.; Henry, Paul F.; Light, Mark E.
Rapid structure determination of the hydrogen-containing compound Cs~2~C~2~O~4~·H~2~O by joint single-crystal X-ray and powder neutron diffraction
Acta Crystallographica Section B, 2007, 63, 426-432
2102818 CIF
Paper
C2 H2 Cs2 O5C 1 2/c 110.1125; 6.6535; 11.3255
90; 107.191; 90
727.98Weller, Mark T.; Henry, Paul F.; Light, Mark E.
Rapid structure determination of the hydrogen-containing compound Cs~2~C~2~O~4~·H~2~O by joint single-crystal X-ray and powder neutron diffraction
Acta Crystallographica Section B, 2007, 63, 426-432
2102819 CIF
Paper
C6 H13 N O3 SP 1 2/c 18.1711; 10.9972; 9.4601
90; 91.575; 90
849.76Leban, Ivan; Rudan-Tasic, Darja; Lah, Nina; Klofutar, Cveto
Structures of artificial sweeteners ‒ cyclamic acid and sodium cyclamate with other cyclamates
Acta Crystallographica Section B, 2007, 63, 418-425
2102820 CIF
Paper
C6 H12 N Na O3 SC 1 2/c 131.083; 6.2718; 8.5682
90; 94.481; 90
1665.2Leban, Ivan; Rudan-Tasic, Darja; Lah, Nina; Klofutar, Cveto
Structures of artificial sweeteners ‒ cyclamic acid and sodium cyclamate with other cyclamates
Acta Crystallographica Section B, 2007, 63, 418-425
2102821 CIF
Paper
C6 H12 K N O3 SC 1 2/c 133.656; 6.274; 8.572
90; 93.35; 90
1807Leban, Ivan; Rudan-Tasic, Darja; Lah, Nina; Klofutar, Cveto
Structures of artificial sweeteners ‒ cyclamic acid and sodium cyclamate with other cyclamates
Acta Crystallographica Section B, 2007, 63, 418-425
2102822 CIF
Paper
C6 H16 N2 O3 SC 1 2/c 133.6671; 6.4571; 8.7572
90; 92.961; 90
1901.2Leban, Ivan; Rudan-Tasic, Darja; Lah, Nina; Klofutar, Cveto
Structures of artificial sweeteners ‒ cyclamic acid and sodium cyclamate with other cyclamates
Acta Crystallographica Section B, 2007, 63, 418-425
2102823 CIF
Paper
C6 H12 N O3 Rb SC 1 2/c 134.039; 6.451; 8.811
90; 92.67; 90
1932.7Leban, Ivan; Rudan-Tasic, Darja; Lah, Nina; Klofutar, Cveto
Structures of artificial sweeteners ‒ cyclamic acid and sodium cyclamate with other cyclamates
Acta Crystallographica Section B, 2007, 63, 418-425
2102824 CIF
Paper
C18 H40 N2 O3 SP 1 21/n 110.951; 13.5112; 14.6202
90; 99.425; 90
2134Leban, Ivan; Rudan-Tasic, Darja; Lah, Nina; Klofutar, Cveto
Structures of artificial sweeteners ‒ cyclamic acid and sodium cyclamate with other cyclamates
Acta Crystallographica Section B, 2007, 63, 418-425
2102825 CIF
Paper
C14 H10 Br N3C 1 c 14.2021; 21.0409; 14.3803
90; 96.248; 90
1263.9Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R.
Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones
Acta Crystallographica Section B, 2007, 63, 485-496
2102826 CIF
Paper
C14 H10 Br N3C 1 c 14.4902; 19.9376; 14.3182
90; 92.884; 90
1280.2Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R.
Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones
Acta Crystallographica Section B, 2007, 63, 485-496
2102827 CIF
Paper
C15 H12 F3 NP 1 21/c 19.6046; 7.7953; 17.2756
90; 104.316; 90
1253.27Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R.
Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones
Acta Crystallographica Section B, 2007, 63, 485-496
2102828 CIF
Paper
C15 H12 F3 NP 1 21/c 19.7556; 7.8003; 16.8794
90; 102.647; 90
1253.3Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R.
Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones
Acta Crystallographica Section B, 2007, 63, 485-496
2102829 CIF
Paper
C14 H12 Br NP b c n13.4669; 11.7471; 14.9271
90; 90; 90
2361.4Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R.
Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones
Acta Crystallographica Section B, 2007, 63, 485-496
2102830 CIF
Paper
C14 H12 Br NP b c n13.355; 11.6667; 14.9529
90; 90; 90
2329.8Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R.
Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones
Acta Crystallographica Section B, 2007, 63, 485-496
2102831 CIF
Paper
C15 H12 N2P 1 21/n 16.1535; 7.199; 26.253
90; 92.285; 90
1162.1Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R.
Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones
Acta Crystallographica Section B, 2007, 63, 485-496
2102832 CIF
Paper
C15 H12 N2P 1 21/n 16.1878; 7.3785; 25.895
90; 94.635; 90
1178.4Ojala, William H.; Smieja, Jonathan M.; Spude, Jill M.; Arola, Trina M.; Kuspa, Marika K.; Herrera, Nell; Ojala, Charles R.
Isostructuralism among `bridge-flipped' isomeric benzylideneanilines and phenylhydrazones
Acta Crystallographica Section B, 2007, 63, 485-496
2102833 CIF
Paper
C56 H62 Cu N4 O14 S2P 1 21/c 119.0356; 17.4332; 17.418
90; 113.824; 90
5287.7Dorokhov, Andrey V.; Chernyshov, Dmitrii Yu.; Burlov, Anatolii S.; Garnovskii, Alexandr D.; Ivanova, Irina S.; Pyatova, Elena N.; Tsivadze, Aslan Yu.; Aslanov, Leonid A.; Chernyshev, Vladimir V.
Synchrotron powder diffraction in a systematic study of 4'-[2-(tosylamino)benzylideneamino]-2,3-benzo-15-crown-5 complexes
Acta Crystallographica Section B, 2007, 63, 402-410
2102834 CIF
Paper
C29 H32 Li N3 O7 S2P 1 21/c 19.2918; 23.0117; 15.2798
90; 108.063; 90
3106.11Dorokhov, Andrey V.; Chernyshov, Dmitrii Yu.; Burlov, Anatolii S.; Garnovskii, Alexandr D.; Ivanova, Irina S.; Pyatova, Elena N.; Tsivadze, Aslan Yu.; Aslanov, Leonid A.; Chernyshev, Vladimir V.
Synchrotron powder diffraction in a systematic study of 4'-[2-(tosylamino)benzylideneamino]-2,3-benzo-15-crown-5 complexes
Acta Crystallographica Section B, 2007, 63, 402-410
2102835 CIF
Paper
C5 H10 N5 O5 PP 1 21/c 14.97; 12.7506; 15.0499
90; 92.293; 90
952.96Bendeif, El-Eulmi; Dahaoui, Slimane; Benali-Cherif, Nourredine; Lecomte, Claude
Tautomerism and hydrogen bonding in guaninium phosphite and guaninium phosphate salts
Acta Crystallographica Section B, 2007, 63, 448-458
2102836 CIF
Paper
C5 H12 N5 O6 PP 1 21/c 14.6812; 24.0561; 9.5186
90; 99.773; 90
1056.35Bendeif, El-Eulmi; Dahaoui, Slimane; Benali-Cherif, Nourredine; Lecomte, Claude
Tautomerism and hydrogen bonding in guaninium phosphite and guaninium phosphate salts
Acta Crystallographica Section B, 2007, 63, 448-458
2102837 CIF
Paper
C5 H10 N5 O6 PP 1 21/n 14.5414; 12.5774; 18.1485
90; 93.689; 90
1034.48Bendeif, El-Eulmi; Dahaoui, Slimane; Benali-Cherif, Nourredine; Lecomte, Claude
Tautomerism and hydrogen bonding in guaninium phosphite and guaninium phosphate salts
Acta Crystallographica Section B, 2007, 63, 448-458
2102838 CIF
Paper
B3 H Li Na O8 SiP 1 21/c 16.762; 13.8016; 7.6878
90; 124.089; 90
594.19Whitfield, Pamela S.; Le Page, Yvon; Grice, Joel D.; Stanley, Chris J.; Jones, Gary C.; Rumsey, Michael S.; Blake, Chris; Roberts, Andrew C.; Stirling, John A. R.; Carpenter, Gordon J. C.
LiNaSiB~3~O~7~(OH) – novel structure of the new borosilicate mineral jadarite determined from laboratory powder diffraction data
Acta Crystallographica Section B, 2007, 63, 396-401
2102839 CIF
Paper
Ce0.5 O2 Zr0.5P 42/n m c :13.7191; 3.7191; 5.3057
90; 90; 90
73.387Wakita, Takahiro; Yashima, Masatomo
<i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 384-389
2102840 CIF
Paper
Ce0.5 O2 Zr0.5P 42/n m c :13.7286; 3.7286; 5.3215
90; 90; 90
73.982Wakita, Takahiro; Yashima, Masatomo
<i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 384-389
2102841 CIF
Paper
Ce0.5 O2 Zr0.5P 42/n m c :13.7386; 3.7386; 5.3381
90; 90; 90
74.611Wakita, Takahiro; Yashima, Masatomo
<i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 384-389
2102842 CIF
Paper
Ce0.5 O2 Zr0.5P 42/n m c :13.7503; 3.7503; 5.3564
90; 90; 90
75.336Wakita, Takahiro; Yashima, Masatomo
<i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 384-389
2102843 CIF
Paper
Ce0.5 O2 Zr0.5P 42/n m c :13.764; 3.764; 5.3745
90; 90; 90
76.144Wakita, Takahiro; Yashima, Masatomo
<i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 384-389
2102844 CIF
Paper
Ce0.5 O2 Zr0.5P 42/n m c :13.7781; 3.7781; 5.3833
90; 90; 90
76.841Wakita, Takahiro; Yashima, Masatomo
<i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 384-389
2102845 CIF
Paper
Ce0.5 O2 Zr0.5F m -3 m5.3848; 5.3848; 5.3848
90; 90; 90
156.14Wakita, Takahiro; Yashima, Masatomo
<i>In situ</i> observation of the tetragonal‒cubic phase transition in the CeZrO~4~ solid solution ‒ a high-temperature neutron diffraction study
Acta Crystallographica Section B, 2007, 63, 384-389
2102846 CIF
HKL
Paper
C5 H13 Cl N2 O2P 1 21 19.948; 7.9637; 4.9826
90; 83.13; 90
391.902Dittrich, B.; Munshi, P.; Spackman, M. A.
Redetermination, invariom-model and multipole refinement of <small>L</small>-ornithine hydrochloride
Acta Crystallographica Section B, 2007, 63, 505-509
2102847 CIF
Paper
Bi1.6 Ge1.6 Te4F m -3 m6.0932; 6.0932; 6.0932
90; 90; 90
226.22Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki
Crystal structures of stable and metastable Ge~2~Bi~2~Te~5~, an intermetallic compound in a GeTe-Bi~2~Te~3~ pseudobinary system
Acta Crystallographica, Section B, 2007, 63, 346-352
2102848 CIF
Paper
Bi1.6 Ge1.6 Te4F m -3 m6.1109; 6.1109; 6.1109
90; 90; 90
228.2Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki
Crystal structures of stable and metastable Ge~2~Bi~2~Te~5~, an intermetallic compound in a GeTe-Bi~2~Te~3~ pseudobinary system
Acta Crystallographica, Section B, 2007, 63, 346-352
2102849 CIF
Paper
Bi2 Ge2 Te5P -3 m 14.28072; 4.28072; 17.2651
90; 90; 120
273.99Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki
Crystal structures of stable and metastable Ge~2~Bi~2~Te~5~, an intermetallic compound in a GeTe-Bi~2~Te~3~ pseudobinary system
Acta Crystallographica, Section B, 2007, 63, 346-352
2102850 CIF
Paper
Bi2 Ge2 Te5P -3 m 14.3004; 4.3004; 17.3659
90; 90; 120
278.13Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki
Crystal structures of stable and metastable Ge~2~Bi~2~Te~5~, an intermetallic compound in a GeTe-Bi~2~Te~3~ pseudobinary system
Acta Crystallographica, Section B, 2007, 63, 346-352
2102851 CIF
Paper
C20 H22 O4C 1 2 123.2312; 4.975; 15.484
90; 112.53; 90
1653Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2102852 CIF
Paper
C6 H12 O2P b c a8.545; 7.588; 19.717
90; 90; 90
1278.4Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2102853 CIF
Paper
C10 H12 O2P 1 21 15.8751; 27.9972; 5.0132
90; 94.528; 90
822.03Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2102854 CIF
HKL
Paper
C10 H12 O2P 1 21 15.877; 28.029; 5.015
90; 94.51; 90
823.5Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2102855 CIF
HKL
Paper
C10 H12 O2P 1 21 15.886; 28.108; 5.029
90; 94.35; 90
829.6Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2102856 CIF
HKL
Paper
C6 H12 O2P b c a8.617; 7.693; 19.695
90; 90; 90
1305.6Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2102857 CIF
Paper
C6 H12 O2P b c a8.415; 7.799; 19.295
90; 90; 90
1266.3Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2102858 CIF
HKL
Paper
C6 H12 O2P b c a8.491; 7.893; 19.331
90; 90; 90
1295.6Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2102859 CIF
Paper
C6 H12 O2C 1 2/c 118.321; 10.015; 7.201
90; 95.28; 90
1315.7Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2102860 CIF
HKL
Paper
C6 H12 O2C 1 2/c 118.578; 10.007; 7.272
90; 96.32; 90
1343.7Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2102861 CIF
Paper
C6 H12 O2P 32 2 110.183; 10.183; 10.796
90; 90; 120
969.49Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2102862 CIF
Paper
C6 H12 O2P 32 2 110.229; 10.229; 10.909
90; 90; 120
988.51Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt
Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
Acta Crystallographica Section B, 2007, 63, 433-447
2102863 CIF
Paper
K1.56 Mg0.78 O16 Ti7.22I 4/m10.1541; 10.1541; 2.9735
90; 90; 90
306.58Michiue, Yuichi
Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)
Acta Crystallographica, Section B, 2007, 63, 577-583
2102864 CIF
Paper
K1.55 Mg0.77 O16 Ti7.23I 4/m10.1541; 10.1541; 2.9735
90; 90; 90
306.58Michiue, Yuichi
Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)
Acta Crystallographica, Section B, 2007, 63, 577-583
2102865 CIF
Paper
K1.53 Mg0.77 O16 Ti7.23I 4/m10.1541; 10.1541; 2.9735
90; 90; 90
306.58Michiue, Yuichi
Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)
Acta Crystallographica, Section B, 2007, 63, 577-583
2102866 CIF
Paper
K1.54 Mg0.77 O16 Ti7.23I 4/m10.1541; 10.1541; 2.9735
90; 90; 90
306.58Michiue, Yuichi
Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)
Acta Crystallographica, Section B, 2007, 63, 577-583
2102867 CIF
Paper
Mg0.75 O16 Rb1.51 Ti7.25I 4/m10.2052; 10.2052; 2.9717
90; 90; 90
309.49Michiue, Yuichi
Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)
Acta Crystallographica, Section B, 2007, 63, 577-583
2102868 CIF
Paper
Mg0.75 O16 Rb1.51 Ti7.25I 4/m10.2052; 10.2052; 2.9717
90; 90; 90
309.49Michiue, Yuichi
Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)
Acta Crystallographica, Section B, 2007, 63, 577-583
2102869 CIF
Paper
Mg0.75 O16 Rb1.5 Ti7.25I 4/m10.2052; 10.2052; 2.9717
90; 90; 90
309.49Michiue, Yuichi
Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)
Acta Crystallographica, Section B, 2007, 63, 577-583
2102870 CIF
Paper
Mg0.75 O16 Rb1.5 Ti7.25I 4/m10.2052; 10.2052; 2.9717
90; 90; 90
309.49Michiue, Yuichi
Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)
Acta Crystallographica, Section B, 2007, 63, 577-583
2102871 CIF
Paper
Mg0.76 O16 Rb1.51 Ti7.24I 4/m10.2052; 10.2052; 2.9717
90; 90; 90
309.49Michiue, Yuichi
Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)
Acta Crystallographica, Section B, 2007, 63, 577-583
2102872 CIF
Paper
Ba4 O9 Sb2P 63/m m c6.18123; 6.18123; 15.99
90; 90; 120
529.089Ling, Chris D.; Avdeev, Maxim; Aivazian, Karina
Synthesis, structure, and stability of the high-temperature 6H-type perovskite phase Ba~3~BaSb~2~O~9~
Acta Crystallographica Section B, 2007, 63, 584-588
2102873 CIF
Paper
C43 H59 O13.5P -111.3467; 14.1629; 14.81
108.886; 109.437; 92.483
2092.9Shao-Liang Zheng; Marc Messerschmidt; Philip Coppens
Single-Crystal-to-Single-Crystal E->Z Isomerization of Tiglic acid in a Supramolecular Framework
Acta Crystallographica, Section B, 2007, 63, 650-655
2102874 CIF
Paper
C43 H59 O13.5P -111.2958; 14.0716; 14.72
108.756; 108.628; 93.0151
2067.74Shao-Liang Zheng; Marc Messerschmidt; Philip Coppens
Single-Crystal-to-Single-Crystal E->Z Isomerization of Tiglic acid in a Supramolecular Framework
Acta Crystallographica, Section B, 2007, 63, 650-655
2102875 CIF
Paper
C43 H59 O13.5P -111.2954; 14.0883; 14.7549
108.638; 108.809; 92.9259
2074.74Shao-Liang Zheng; Marc Messerschmidt; Philip Coppens
Single-Crystal-to-Single-Crystal E->Z Isomerization of Tiglic acid in a Supramolecular Framework
Acta Crystallographica, Section B, 2007, 63, 650-655
2102876 CIF
Paper
C43 H59 O13.5P -111.2902; 14.1299; 14.7991
108.584; 109.266; 92.56
2082.65Shao-Liang Zheng; Marc Messerschmidt; Philip Coppens
Single-Crystal-to-Single-Crystal E->Z Isomerization of Tiglic acid in a Supramolecular Framework
Acta Crystallographica, Section B, 2007, 63, 650-655
2102877 CIF
Paper
C43 H59 O13.5P -111.2988; 14.1506; 14.8012
108.561; 109.475; 92.4244
2085.7Shao-Liang Zheng; Marc Messerschmidt; Philip Coppens
Single-Crystal-to-Single-Crystal E->Z Isomerization of Tiglic acid in a Supramolecular Framework
Acta Crystallographica, Section B, 2007, 63, 650-655
2102878 CIF
Paper
C43 H59 O13.5P -111.3096; 14.1748; 14.8116
108.57; 109.632; 92.276
2091.2Shao-Liang Zheng; Marc Messerschmidt; Philip Coppens
Single-Crystal-to-Single-Crystal E->Z Isomerization of Tiglic acid in a Supramolecular Framework
Acta Crystallographica, Section B, 2007, 63, 650-655
2102879 CIF
Paper
C12 H12 Cl2 N2 PtP 1 21/n 16.7739; 10.755; 17.312
90; 93.8; 90
1258.5Maheshwari, Vidhi; Carlone, Maria; Fronczek, Frank R.; Marzilli, Luigi G.
Ligand and coordination-plane distortions in platinum(II) complexes of isomers of dimethyl-2,2'-bipyridine
Acta Crystallographica Section B, 2007, 63, 603-611
2102880 CIF
Paper
C12 H12 Cl2 N2 PtC 1 2/c 113.162; 9.088; 12.125
90; 121.11; 90
1241.8Maheshwari, Vidhi; Carlone, Maria; Fronczek, Frank R.; Marzilli, Luigi G.
Ligand and coordination-plane distortions in platinum(II) complexes of isomers of dimethyl-2,2'-bipyridine
Acta Crystallographica Section B, 2007, 63, 603-611
2102881 CIF
Paper
C14 H15 Cl2 N3 PtP -18.1049; 8.7028; 12.005
73.863; 73.919; 77.132
771.78Maheshwari, Vidhi; Carlone, Maria; Fronczek, Frank R.; Marzilli, Luigi G.
Ligand and coordination-plane distortions in platinum(II) complexes of isomers of dimethyl-2,2'-bipyridine
Acta Crystallographica Section B, 2007, 63, 603-611
2102882 CIF
Paper
C36 H36 B2 F8 N6 PtP -17.3395; 10.58; 12.093
70.602; 87.384; 79.978
872.1Maheshwari, Vidhi; Carlone, Maria; Fronczek, Frank R.; Marzilli, Luigi G.
Ligand and coordination-plane distortions in platinum(II) complexes of isomers of dimethyl-2,2'-bipyridine
Acta Crystallographica Section B, 2007, 63, 603-611

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