Crystallography Open Database

Result: there are 241 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'Acta Crystallographica, Section B: Structural Science' volume of publication is 52

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 5 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
2101567 CIF
Paper
C16 H24 Br2 O8P -18.002; 8.232; 8.966
116.82; 96.1; 102.29
500.9Näther, C.; Nagel, N.; Bock, H.; Seitz, W.; Havlas, Z.
Structural, kinetic and thermodynamic aspects of the conformational dimorphism of diethyl 3,6-dibromo-2,5-dihydroxyterephthalate
Acta Crystallographica Section B, 1996, 52, 697-706
2101568 CIF
Paper
Ce2 Ga15 Pt6P 63/m m c4.3267; 4.3267; 16.5369
90; 90; 120
268.1Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C.
Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers
Acta Crystallographica Section B, 1996, 52, 580-585
2101569 CIF
Paper
Ce2 Ga15 Pt6P 63/m m c4.335; 4.335; 16.564
90; 90; 120
269.6Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C.
Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers
Acta Crystallographica Section B, 1996, 52, 580-585
2101570 CIF
Paper
Ce2 Ga15 Pt6P 63/m m c4.3259; 4.3259; 16.522
90; 90; 120
267.76Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C.
Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers
Acta Crystallographica Section B, 1996, 52, 580-585
2101571 CIF
Paper
C12 H15 N O4C 1 2/c 110.03; 9.84; 21.625
90; 90.87; 90
2134Kruger, H. G.; Martins, F. J. C.; Viljoen, A. M.; Boeyens, J. C. A.; Cook, L. M.; Levendis, D. C.
Structure and conformation of the hydrate of 8,11-dihydroxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-carbolactam
Acta Crystallographica Section B, 1996, 52, 838-841
2101572 CIF
Paper
C H8 F6 N4 ZrP b a 210.089; 18.349; 7.56
90; 90; 90
1399.5Abrahams, S. C.; Mirsky, K.; Nielson, R. M.
Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2
Acta Crystallographica Section B, 1996, 52, 806-809
2101573 CIF
Paper
Ba0.6 Bi K0.4 O2.3P b a 26.127; 12.016; 4.378
90; 90; 90
322.317Abrahams, S. C.; Mirsky, K.; Nielson, R. M.
Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2
Acta Crystallographica Section B, 1996, 52, 806-809
2101574 CIF
Paper
Cl10 Mo N O P2P b a 215.984; 11.412; 4.151
90; 90; 90
757.2Abrahams, S. C.; Mirsky, K.; Nielson, R. M.
Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2
Acta Crystallographica Section B, 1996, 52, 806-809
2101575 CIF
Paper
C4 Br0.3 D6 K2 N4 O3 PtP 4 m m9.897; 9.897; 5.784
90; 90; 90
566.5Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101576 CIF
Paper
Ba Cu Fe O5 YP 4 m m3.865; 3.865; 7.6425
90; 90; 90
114.17Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101577 CIF
Paper
Ba2 O8 Si2 TiP 4 b m8.527; 8.527; 5.2104
90; 90; 90
378.85Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101578 CIF
Paper
N2 S4P 42 n m11.146; 11.146; 3.773
90; 90; 90
468.7Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101579 CIF
Paper
As2 Ba Ge2P 42 m c7.618; 7.618; 8.5
90; 90; 90
493.3Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101580 CIF
Paper
Pu S2P 4 m m3.943; 3.943; 7.962
90; 90; 90
123.8Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101581 CIF
Paper
Cl3 Cs EuP 4 m m5.588; 5.588; 5.619
90; 90; 90
175.5Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101582 CIF
Paper
Nd0.33 O3 TaP 4 m m7.822; 7.822; 3.883
90; 90; 90
237.58Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101583 CIF
Paper
Mn0.04 Ni0.04 O3 Pb Ti0.04 Zr0.44P 4 m m4.0382; 4.0382; 4.1057
90; 90; 90
66.952Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101584 CIF
Paper
Ba Cl Cu K O7 V2P 4 b m8.8581; 8.8581; 5.4711
90; 90; 90
429.29Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101585 CIF
Paper
Ba6 Co Nb9 O30P 4 b m12.589; 12.589; 4.009
90; 90; 90
635.358Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101586 CIF
Paper
K2 Nb2 O14 Si4P 4 b m8.7404; 8.7404; 8.136
90; 90; 90
621.55Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101587 CIF
Paper
Cr N NbP 4 b m4.283; 4.283; 7.36
90; 90; 90
135.012Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101588 CIF
Paper
K2 O7 Zn6P 42 n m10.912; 10.912; 3.325
90; 90; 90
395.914Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101589 CIF
Paper
O6 Se2 VP 4 c c11.22; 11.22; 7.86
90; 90; 90
989Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101590 CIF
Paper
H3 Na O3 ZnP 42 b c10.839; 10.839; 5.308
90; 90; 90
623.6Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101591 CIF
Paper
Mn O6 Sb Sr2I 4 m m5.526; 5.526; 8.039
90; 90; 90
245.48Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101592 CIF
Paper
Cu K Na2 O2I 4 m m4.327; 4.327; 10.891
90; 90; 90
203.9Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101593 CIF
Paper
Cl6 H3 In K3 O1.5I 4 m m16.563; 16.563; 18.563
90; 90; 90
5092Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101594 CIF
Paper
K1.14 Mg0.57 O4 Si1.43I 4 m m8.957; 8.957; 5.281
90; 90; 90
423.68Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101595 CIF
Paper
Al F5 H4 Hg2 O4I 4 c m9.353; 9.353; 7.241
90; 90; 90
633.4Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101596 CIF
Paper
F18 Nb3 O Rb5I 4 c m15.525; 15.525; 7.794
90; 90; 90
1878.6Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101597 CIF
Paper
Ag S2 YbI 41 m d5.356; 5.356; 11.803
90; 90; 90
338.59Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101598 CIF
Paper
Ni2 O8 Sr V2I 41 c d12.1617; 12.1617; 8.3247
90; 90; 90
1231.3Abrahams, S. C.
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Acta Crystallographica Section B, 1996, 52, 790-805
2101599 CIF
Paper
C D3 FP 1 21/n 16.4373; 7.5023; 3.9598
90; 101.842; 90
187.167Ibberson, R. M.; Prager, M.
The <i>ab initio</i> crystal structure determination of vapour-deposited methyl fluoride by high-resolution neutron powder diffraction
Acta Crystallographica Section B, 1996, 52, 892-895
2101600 CIF
Paper
H4 O9 P2 TiP 1 21/c 18.611; 4.9933; 16.1507
90; 110.206; 90
651.7Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T.
Neutron powder diffraction study of α-Ti(HPO~4~)~2~.H~2~O and α-Hf(HPO~4~)~2~.H~2~O; H-atom positions
Acta Crystallographica Section B, 1996, 52, 896-898
2101601 CIF
Paper
H4 Hf O9 P2P 1 21/c 18.9955; 5.2439; 16.224
90; 111.234; 90
713.37Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T.
Neutron powder diffraction study of α-Ti(HPO~4~)~2~.H~2~O and α-Hf(HPO~4~)~2~.H~2~O; H-atom positions
Acta Crystallographica Section B, 1996, 52, 896-898
2101602 CIF
Paper
C12 H8 N4 PtC m c m18.142; 9.361; 6.659
90; 90; 90
1130.9Connick, W. B.; Henling, L. M.; Marsh, R. E.
A revision of the structure of (bipyridyl-<i>N</i>,<i>N</i>')-dicyanoplatinum(II)
Acta Crystallographica Section B, 1996, 52, 817-822
2101603 CIF
Paper
C21 H46 N3 O7 PP 21 21 2116.7042; 24.4881; 6.3891
90; 90; 90
2613.49Souhassou, M.; Schaber, P. M.; Blessing, R. H.
Structure of tris(cyclohexylammonium) phosphoenolpyruvate monohydrate and crystal chemistry of phosphoenolpyruvates
Acta Crystallographica Section B, 1996, 52, 865-875
2101604 CIF
Paper
C8 Cl4 D32 I2 N8 O16 Pt2C 1 2/c 116.65; 5.76; 14.751
90; 99.19; 90
1396.5Bardeau, J.-F.; Bulou, A.; Klooster, W. T.; Koetzle, T. F.; Johnson, S.; Scott, B.; Swanson, B. I.; Eckert, J.
Neutron diffraction study of [Pt(en)~2~][Pt(en)~2~I~2~](ClO~4~)~4~ at 20 K: structure and evidence of a new phase transition
Acta Crystallographica Section B, 1996, 52, 854-864
2101605 CIF
Paper
Ba0.85 Ca2.15 In6 O12P 63/m9.888; 9.888; 3.217
90; 90; 120
272.395Baldinozzi, G.; Goutenoire, F.; Hervieu, M.; Suard, E.; Grebille, D.
Incommensurate modulated disorder in Ba~0.85~Ca~2.15~In~6~O~12~
Acta Crystallographica Section B, 1996, 52, 780-789
2101606 CIF
Paper
C5 Ca Cl2 D15 N O4P n m a10.95; 10.15; 10.82
90; 90; 90
1203Ezpeleta, J. M.; Zúñiga, F. J.; Paulus, W.; Cousson, A.; Hlinka, J.; Quilichini, M.
Structures of room-temperature and ferroelectric (35 K) phases of deuterated betaine calcium chloride dihydrate
Acta Crystallographica Section B, 1996, 52, 810-816
2101607 CIF
Paper
C5 Ca Cl2 D15 N O4P n 21 a10.905; 10; 10.8
90; 90; 90
1177.7Ezpeleta, J. M.; Zúñiga, F. J.; Paulus, W.; Cousson, A.; Hlinka, J.; Quilichini, M.
Structures of room-temperature and ferroelectric (35 K) phases of deuterated betaine calcium chloride dihydrate
Acta Crystallographica Section B, 1996, 52, 810-816
2101608 CIF
Paper
C8 H13 N3 O5P 1 21/c 15.248; 26.485; 7.248
90; 95.47; 90
1002.8Suresh, S.; Vijayan, M.
X-ray studies on crystalline complexes involving amino acids and peptides. XXX. Structural invariance and optical resolution through interactions with an achiral molecule in the histidine complexes of glycolic acid
Acta Crystallographica Section B, 1996, 52, 876-881
2101609 CIF
Paper
C8 H13 N3 O5P 21 21 215.084; 11.012; 17.899
90; 90; 90
1002.1Suresh, S.; Vijayan, M.
X-ray studies on crystalline complexes involving amino acids and peptides. XXX. Structural invariance and optical resolution through interactions with an achiral molecule in the histidine complexes of glycolic acid
Acta Crystallographica Section B, 1996, 52, 876-881
2101610 CIF
Paper
K Li O5 Si2P 1 21 15.9803; 4.7996; 8.1599
90; 93.477; 90
233.78de Jong, B. H. W. S.; Supèr, H. T. J.; Spek, A. L.; Veldman, N.; van Wezel, W.; van der Mee, V.
Structure of KLiSi~2~O~5~ and the hygroscopicity of glassy mixed alkali disilicates
Acta Crystallographica Section B, 1996, 52, 770-776
2101611 CIF
Paper
C16 H14 F3 N O3 SP 1 21/n 16.816; 23.687; 9.966
90; 106.63; 90
1541.7Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Alihodžić, Sulejman; Trinajstić, Nenad
Bond length‒bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [<i>N</i>-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''',<i>O</i>''''](picrate-κ^2^-<i>O</i>,<i>O</i>')potassium, and [<i>N</i>,<i>N</i>'-bis(6-phenanthridinyl-κ<i>N</i>-methyl)-7,16-diaza-18-crown-6-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']sodium iodide dichloromethane solvate
Acta Crystallographica Section B, 1996, 52, 823-837
2101612 CIF
Paper
C32 H36 K N5 O12P -19.189; 11.786; 15.805
83.39; 88.29; 75.78
1648.2Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Alihodžić, Sulejman; Trinajstić, Nenad
Bond length‒bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [<i>N</i>-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''',<i>O</i>''''](picrate-κ^2^-<i>O</i>,<i>O</i>')potassium, and [<i>N</i>,<i>N</i>'-bis(6-phenanthridinyl-κ<i>N</i>-methyl)-7,16-diaza-18-crown-6-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']sodium iodide dichloromethane solvate
Acta Crystallographica Section B, 1996, 52, 823-837
2101613 CIF
Paper
C41 H46 Cl2 I N4 Na O4I 2 2 210.453; 13.417; 28.526
90; 90; 90
4000.7Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Alihodžić, Sulejman; Trinajstić, Nenad
Bond length‒bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [<i>N</i>-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''',<i>O</i>''''](picrate-κ^2^-<i>O</i>,<i>O</i>')potassium, and [<i>N</i>,<i>N</i>'-bis(6-phenanthridinyl-κ<i>N</i>-methyl)-7,16-diaza-18-crown-6-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']sodium iodide dichloromethane solvate
Acta Crystallographica Section B, 1996, 52, 823-837
2101614 CIF
Paper
C10 H9 N3P 1 21/c 18.958; 8.161; 24.104
90; 98.98; 90
1740.6Schödel, H.; Näther, C.; Bock, H.; Butenschön, F.
Trimorphism of 2,2'-dipyridylamine: structures, phase transitions and thermodynamic stabilities
Acta Crystallographica Section B, 1996, 52, 842-853
2101615 CIF
Paper
C10 H9 N3P 1 21/c 19.001; 8.262; 24.234
90; 98.88; 90
1780.6Schödel, H.; Näther, C.; Bock, H.; Butenschön, F.
Trimorphism of 2,2'-dipyridylamine: structures, phase transitions and thermodynamic stabilities
Acta Crystallographica Section B, 1996, 52, 842-853
2101616 CIF
Paper
C6 H14 N4 O6P 1 21/c 15.637; 8.243; 12.258
90; 96.8; 90
565.6Videnova-Adrabińska, V.
Symmetry constraints, molecular recognition and crystal engineering. Comparative structural studies of urea‒butanedioic and urea‒<i>E</i>-butanedioic acid (2:1) cocrystals
Acta Crystallographica Section B, 1996, 52, 1048-1056

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 5 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!