Crystallography Open Database

Result: there are 10718 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

We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.

Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'

Blue left arrow Blue left arrow First | Blue left arrow Previous 100 | of 108 | Next 100 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
2105452 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 112.037; 6.0534; 11.211
90; 117.41; 90
725.2Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105453 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 111.976; 6.0032; 11.199
90; 117.61; 90
713.5Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105454 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 111.905; 5.9492; 11.185
90; 117.79; 90
700.8Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105455 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 111.807; 5.8748; 11.164
90; 117.98; 90
683.9Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105456 CIF
HKL
Paper
C16 H10 Br N O3P 1 21/n 15.466; 17.381; 13.948
90; 92.079; 90
1324.3Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105457 CIF
HKL
Paper
C16 H10 Br N O3P c a 2123.047; 4.8246; 12.075
90; 90; 90
1342.7Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105458 CIF
HKL
Paper
C16 H10 Br N O3P -15.722; 7.968; 14.558
96.004; 99.996; 92.558
648.7Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105459 CIF
HKL
Paper
C16 H10 N2 O5P 1 21/c 112.3425; 5.885; 18.316
90; 99.543; 90
1312Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105460 CIF
HKL
Paper
C17 H13 N O4P 21 21 214.7199; 15.345; 19.338
90; 90; 90
1400.6Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105461 CIF
HKL
Paper
C17 H13 N O4P n a 2112.82; 26.29; 3.802
90; 90; 90
1281Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105462 CIF
HKL
Paper
C18 H15 N O3P b c a21.094; 16.297; 8.402
90; 90; 90
2888Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105463 CIF
HKL
Paper
C18 H15 N O4P 1 21/c 114.327; 8.468; 12.708
90; 110.514; 90
1444Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105464 CIF
HKL
Paper
C17 H13 N O3P -17.4724; 9.3647; 10.5398
88.283; 71.173; 72.42
663.61Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105465 CIF
Paper
C5 H12 N2P 1 21 15.213; 8.471; 7.2048
90; 105.362; 90
306.79Reibenspies, Joseph; Bhuvanesh, Nattamai
Absolute structure of <i>R</i>-({-})-2-methylpiperazine and <i>S</i>-(+)-2-methylpiperazine
Acta Crystallographica Section B, 2013, 69, 288-293
2105466 CIF
HKL
Paper
C5 H12 N2P 1 21 15.209; 8.4798; 7.2037
90; 105.254; 90
306.99Reibenspies, Joseph; Bhuvanesh, Nattamai
Absolute structure of <i>R</i>-({-})-2-methylpiperazine and <i>S</i>-(+)-2-methylpiperazine
Acta Crystallographica Section B, 2013, 69, 288-293
2105467 CIF
HKL
Paper
C5 H14.71 Br2 N2 O0.36P 1 21 16.0418; 11.5649; 7.1333
90; 106.911; 90
476.87Reibenspies, Joseph; Bhuvanesh, Nattamai
Absolute structure of <i>R</i>-({-})-2-methylpiperazine and <i>S</i>-(+)-2-methylpiperazine
Acta Crystallographica Section B, 2013, 69, 288-293
2105468 CIF
HKL
Paper
C5 H14.5 Br2 N2 O0.25P 1 21 16.0262; 11.555; 7.1392
90; 107.018; 90
475.35Reibenspies, Joseph; Bhuvanesh, Nattamai
Absolute structure of <i>R</i>-({-})-2-methylpiperazine and <i>S</i>-(+)-2-methylpiperazine
Acta Crystallographica Section B, 2013, 69, 288-293
2105469 CIF
Paper
Al220.86 Cu13.7 Ta150P 63/m m c13.512; 13.512; 39.022
90; 90; 120
6169.9Dshemuchadse, Julia; Bigler, Sandro; Simonov, Arkadiy; Weber, Thomas; Steurer, Walter
A new complex intermetallic phase in the system Al‒Cu‒Ta with familiar clusters and packing principles
Acta Crystallographica Section B, 2013, 69, 238-248
2105470 CIF
Paper
C15 H24 F2 N3 O2 PP -19.8932; 10.5022; 19.228
79.853; 81.589; 62.86
1745.1Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa
Hirshfeld surface analysis of new phosphoramidates
Acta Crystallographica Section B, 2013, 69, 260-270
2105471 CIF
Paper
C13 H20 F2 N3 O3 PP 21 21 218.7127; 10.9675; 16.8649
90; 90; 90
1611.55Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa
Hirshfeld surface analysis of new phosphoramidates
Acta Crystallographica Section B, 2013, 69, 260-270
2105472 CIF
Paper
C16 H18 N O4 PP 1 21 16.4231; 9.1119; 13.6799
90; 94.137; 90
798.55Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa
Hirshfeld surface analysis of new phosphoramidates
Acta Crystallographica Section B, 2013, 69, 260-270
2105473 CIF
Paper
C18 H15 Br N O3 PP -110.1842; 10.2741; 10.7121
108.304; 94.3109; 118.084
904.95Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa
Hirshfeld surface analysis of new phosphoramidates
Acta Crystallographica Section B, 2013, 69, 260-270
2105474 CIF
Paper
C32 H40 N4 O3 P2C 1 2/c 119.05; 8.5308; 18.821
90; 97.341; 90
3033.6Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa
Hirshfeld surface analysis of new phosphoramidates
Acta Crystallographica Section B, 2013, 69, 260-270
2105475 CIF
Paper
C28 H32 N4 O3 P2P c c n13.4363; 20.3532; 9.8851
90; 90; 90
2703.3Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa
Hirshfeld surface analysis of new phosphoramidates
Acta Crystallographica Section B, 2013, 69, 260-270
2105476 CIF
Paper
I3 Nb10 Se40P 4/m c c9.4644; 9.4644; 31.9063
90; 90; 90
2858Zubko, Maciej; Kusz, Joachim; Prodan, Albert; Šturm, Sašo; van Midden, Herman J. P.; Bennett, J. Craig; Dubin, Grzegorz; Zupanič, Erik; Böhm, Horst
Structural phase transition and related electronic properties in quasi-one-dimensional (NbSe~4~)~10/3~I
Acta Crystallographica Section B, 2013, 69, 229-237
2105477 CIF
Paper
I3 Nb10 Se40P 1 2/c 19.4415; 9.4235; 31.883
90; 92.352; 90
2834.3Zubko, Maciej; Kusz, Joachim; Prodan, Albert; Šturm, Sašo; van Midden, Herman J. P.; Bennett, J. Craig; Dubin, Grzegorz; Zupanič, Erik; Böhm, Horst
Structural phase transition and related electronic properties in quasi-one-dimensional (NbSe~4~)~10/3~I
Acta Crystallographica Section B, 2013, 69, 229-237
2105478 CIFGa SeP -6 m 23.743; 3.743; 15.919
90; 90; 120
193.146Cenzual, K.; Gelato, L.M.; Penzo, M.; Parthe, E.
Inorganic structure types with revised space groups.I.
Acta Crystallographica B, 1991, 47, 433-439
2105479 CIF
HKL
Paper
C2 H6 N2 SP -17.6615; 7.6945; 8.0283
78.182; 73.785; 81.448
442.71Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena
Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns
Acta Crystallographica Section B, 2013, 69, 405-413
2105480 CIF
HKL
Paper
C3 H8 N2 SP b c a6.15884; 11.5953; 14.639
90; 90; 90
1045.42Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena
Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns
Acta Crystallographica Section B, 2013, 69, 405-413
2105481 CIF
HKL
Paper
C6 H15 N3 O SP 1 21/n 16.56953; 8.7346; 16.2322
90; 96.964; 90
924.57Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena
Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns
Acta Crystallographica Section B, 2013, 69, 405-413
2105482 CIF
HKL
Paper
C5 H12 N2 O SP 1 21/c 16.4979; 7.0116; 16.7097
90; 92.982; 90
760.27Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena
Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns
Acta Crystallographica Section B, 2013, 69, 405-413
2105483 CIF
HKL
Paper
C5 H12 N2 O SP -16.847; 7.0982; 8.6412
106.676; 105.448; 90.679
386Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena
Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns
Acta Crystallographica Section B, 2013, 69, 405-413
2105484 CIF
HKL
Paper
C5 H12 N2 SC 1 2/c 15.4621; 12.0353; 10.9309
90; 95.641; 90
715.1Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena
Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns
Acta Crystallographica Section B, 2013, 69, 405-413
2105485 CIF
Paper
H13 N3 O8 S2P -18.282; 10.095; 11.613
90.44; 110.07; 100.64
893.6Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot
Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions
Acta Crystallographica Section B, 2013, 69, 336-343
2105486 CIF
HKL
Paper
H13 N3 O8 S2P 1 2/n 115.473; 5.849; 10.131
90; 101.75; 90
897.7Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot
Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions
Acta Crystallographica Section B, 2013, 69, 336-343
2105487 CIF
HKL
Paper
H13 N3 O8 S2P 1 2/n 115.534; 5.825; 10.089
90; 101.52; 90
894.5Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot
Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions
Acta Crystallographica Section B, 2013, 69, 336-343
2105488 CIF
Paper
H13 N3 O8 S2P 1 2/n 115.538; 11.641; 10.085
90; 101.46; 90
1787.8Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot
Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions
Acta Crystallographica Section B, 2013, 69, 336-343
2105489 CIF
Paper
H12 Li4 O12 P2I a -312.7; 12.7; 12.7
90; 90; 90
2048.4Kinzhybalo, Vasyl; Mermer, Adrian; Lis, Tadeusz; Starynowicz, Przemysław
Electron density distribution in tetralithium hypodiphosphate hexahydrate, Li~4~P~2~O~6~·6H~2~O
Acta Crystallographica Section B, 2013, 69, 344-355
2105490 CIF
HKL
Paper
C22 H24 Cl N5 O2P 1 21/c 120.214; 6.8155; 15.863
90; 109.604; 90
2058.7Bruni, Giovanna; Maietta, Mariarosa; Scotti, Federico; Maggi, Lauretta; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Berbenni, Vittorio; Milanese, Chiara; Girella, Alessandro; Marini, Amedeo
Structure and properties of domperidone and its succinate salt
Acta Crystallographica Section B, 2013, 69, 362-370
2105491 CIF
HKL
Paper
C26 H30 Cl N5 O6P -16.3869; 8.9838; 23.094
89.89; 82.52; 86.52
1311.4Bruni, Giovanna; Maietta, Mariarosa; Scotti, Federico; Maggi, Lauretta; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Berbenni, Vittorio; Milanese, Chiara; Girella, Alessandro; Marini, Amedeo
Structure and properties of domperidone and its succinate salt
Acta Crystallographica Section B, 2013, 69, 362-370
2105492 CIF
Paper
C8 H14 N2 O2P 1 21/c 19.5932; 7.8325; 11.9547
90; 103.83; 90
872.22Herman, Christelle; Vermylen, Valérie; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom
The importance of screening solid-state phases of a racemic modification of a chiral drug: thermodynamic and structural characterization of solid-state phases of etiracetam
Acta Crystallographica Section B, 2013, 69, 371-378
2105493 CIF
Paper
C8 H14 N2 O2P 1 21/c 19.302; 11.5223; 8.4172
90; 95.966; 90
897.27Herman, Christelle; Vermylen, Valérie; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom
The importance of screening solid-state phases of a racemic modification of a chiral drug: thermodynamic and structural characterization of solid-state phases of etiracetam
Acta Crystallographica Section B, 2013, 69, 371-378
2105494 CIF
Paper
C8 H16 N2 O3P -17.2006; 7.9639; 9.5468
85.293; 76.031; 70.023
499.3Herman, Christelle; Vermylen, Valérie; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom
The importance of screening solid-state phases of a racemic modification of a chiral drug: thermodynamic and structural characterization of solid-state phases of etiracetam
Acta Crystallographica Section B, 2013, 69, 371-378
2105495 CIFC19 H24 Cl2 N2P 1 21/c 115.506; 8.605; 14.031
90; 96.69; 90
1859.4Post, M. L.; Horn, A. S.
The crystal and molecular structure of the tricyclic antidepressant chlorimipramine hydrochloride: 3-chloro-5-(3-dimethylaminopropyl)-10,11-dihydro-5H-dibenz[b,f]azepine hydrochloride
Acta Crystallographica, Section B, 1977, 33, 2590-2595
2105496 CIF
Paper
C6 H8 Fe O8P 21 21 215.947; 10.4021; 13.5773
90; 90; 90
839.91Birsa Čelič, Tadeja; Jagličič, Zvonko; Lazar, Karoly; Zabukovec Logar, Nataša
Structure and magnetic properties of a new iron(II) citrate coordination polymer
Acta Crystallographica Section B, 2013, 69, 490-495
2105497 CIF
Paper
C16 H32 Cr N8 O12 Rh4I 41/a :29.4384; 9.4384; 29.75
90; 90; 90
2650.2Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105498 CIF
Paper
C16 H32 Mo N8 O12 Rh4I 41/a :29.5725; 9.5725; 29.627
90; 90; 90
2714.8Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105499 CIF
Paper
C16 H32 N8 O12 Rh4 WI 41/a :29.5905; 9.5905; 29.625
90; 90; 90
2724.8Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105500 CIF
Paper
C16 H32 Cr N8 O12 Ru4I 41/a :29.4232; 9.4232; 30.168
90; 90; 90
2678.8Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105501 CIF
Paper
C16 H32 Mo N8 O12 Ru4I 41/a :29.5504; 9.5504; 29.933
90; 90; 90
2730.2Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105502 CIF
Paper
C16 H32 N8 O12 Ru4 WI 41/a :29.5668; 9.5668; 29.98
90; 90; 90
2743.9Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105503 CIF
Paper
C24 H50.16 Cr N8 O13.08 Rh4P -112.978; 13.576; 14.498
112.405; 101.362; 106.816
2119.9Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105504 CIF
Paper
C24 H52.88 Mo N8 O14.44 Rh4P -112.952; 13.849; 14.679
112.46; 99.574; 108.472
2180.4Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105505 CIF
Paper
C32 H64 Mo N8 O12 Rh4P -115.567; 15.778; 19.221
87.72; 89.872; 78.448
4622Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105506 CIF
Paper
C10 H14 O5X c37.8883; 4.7233; 11.6835
90; 90; 90
2090.9Jahangiri, Amita; Fleckhaus, Andre; Lidin, Sven; Strand, Daniel
Allotwinning in a molecular crystal: (1<i>R</i>,3<i>S</i>)-dimethyl 2-oxocyclohexane-1,3-dicarboxylate
Acta Crystallographica Section B, 2013, 69, 509-513
2105507 CIF
Paper
H2 Na O4 PP 1 21/c 16.8093; 13.3936; 7.2786
90; 92.827; 90
663.01Ichikawa, M.; Gustafsson, T.; Olovsson, I.
Experimental Electron Density Study of NaH~2~PO~4~ at 30 K
Acta Crystallographica Section B, 1998, 54, 29-34
2105508 CIF
Paper
C16 H15 N2 O3 PP -16.9026; 9.7086; 12.201
77.138; 74.345; 75.477
751.55Ferguson, G.; Glidewell, C.; Gregson, R. M.; Meehan, P. R.
Chain, Sheet and Framework Structures in the Adducts of Phenylphosphonic Acid with 4,4'-Bipyridyl (1/1), Piperazine (2/1) and 1,4-Diazabicyclo[2.2.2]octane (2/1)
Acta Crystallographica Section B, 1998, 54, 129-138
2105509 CIF
Paper
C16 H24 N2 O6 P2P 1 21/n 16.0042; 19.746; 8.651
90; 105.63; 90
987.7Ferguson, G.; Glidewell, C.; Gregson, R. M.; Meehan, P. R.
Chain, Sheet and Framework Structures in the Adducts of Phenylphosphonic Acid with 4,4'-Bipyridyl (1/1), Piperazine (2/1) and 1,4-Diazabicyclo[2.2.2]octane (2/1)
Acta Crystallographica Section B, 1998, 54, 129-138
2105510 CIF
Paper
C18 H26 N2 O6 P2P 1 21/n 16.3607; 21.83; 14.5965
90; 92.558; 90
2024.76Ferguson, G.; Glidewell, C.; Gregson, R. M.; Meehan, P. R.
Chain, Sheet and Framework Structures in the Adducts of Phenylphosphonic Acid with 4,4'-Bipyridyl (1/1), Piperazine (2/1) and 1,4-Diazabicyclo[2.2.2]octane (2/1)
Acta Crystallographica Section B, 1998, 54, 129-138
2105511 CIF
Paper
C34 H44 N4 O4 S2P 1 21/c 111.1602; 10.8084; 14.001
90; 103.127; 90
1644.7Ferguson, G.; Glidewell, C.; Gregson, R. M.; Meehan, P. R.
Crystal Engineering Using Bis- and Tris-phenols. Adducts with 1,4,8,11-Tetraazacyclotetradecane (Cyclam): Isolated Ladders in the Adduct with 4,4'-Thiodiphenol, Tethered Ladders in the Adduct with 4,4'-Sulfonyldiphenol and Two Interwoven Three-Dimensional Networks in the Adduct with 1,1,1-Tris(4-hydroxyphenyl)ethane
Acta Crystallographica Section B, 1998, 54, 139-150
2105512 CIF
Paper
C34 H44 N4 O8 S2P -110.9345; 11.006; 14.35
79.532; 86.739; 87.471
1694.5Ferguson, G.; Glidewell, C.; Gregson, R. M.; Meehan, P. R.
Crystal Engineering Using Bis- and Tris-phenols. Adducts with 1,4,8,11-Tetraazacyclotetradecane (Cyclam): Isolated Ladders in the Adduct with 4,4'-Thiodiphenol, Tethered Ladders in the Adduct with 4,4'-Sulfonyldiphenol and Two Interwoven Three-Dimensional Networks in the Adduct with 1,1,1-Tris(4-hydroxyphenyl)ethane
Acta Crystallographica Section B, 1998, 54, 139-150
2105513 CIF
Paper
C51 H64 N4 O7P -18.2208; 16.245; 17.337
81.694; 89.656; 86.468
2286.7Ferguson, G.; Glidewell, C.; Gregson, R. M.; Meehan, P. R.
Crystal Engineering Using Bis- and Tris-phenols. Adducts with 1,4,8,11-Tetraazacyclotetradecane (Cyclam): Isolated Ladders in the Adduct with 4,4'-Thiodiphenol, Tethered Ladders in the Adduct with 4,4'-Sulfonyldiphenol and Two Interwoven Three-Dimensional Networks in the Adduct with 1,1,1-Tris(4-hydroxyphenyl)ethane
Acta Crystallographica Section B, 1998, 54, 139-150
2105514 CIF
Paper
C18 H22 N2 O2C 1 2/c 112.151; 6.3202; 21.051
90; 98.875; 90
1597.3Ferguson, G.; Glidewell, C.; Gregson, R. M.; Meehan, P. R.; Patterson, I. L. J.
Formation of One-Dimensional Chains, Two-Dimensional Bilayers and a Three-Dimensional Diamondoid Architecture in Hydrogen-Bonded Adducts of 4,4'-Biphenol with 1,4-Diazabicyclo[2.2.2]octane and 1,2-Diaminoethane
Acta Crystallographica Section B, 1998, 54, 151-161
2105515 CIF
Paper
C27 H32 N2 O5P -19.4592; 10.6311; 12.2085
91.812; 93.091; 90.652
1225.2Ferguson, G.; Glidewell, C.; Gregson, R. M.; Meehan, P. R.; Patterson, I. L. J.
Formation of One-Dimensional Chains, Two-Dimensional Bilayers and a Three-Dimensional Diamondoid Architecture in Hydrogen-Bonded Adducts of 4,4'-Biphenol with 1,4-Diazabicyclo[2.2.2]octane and 1,2-Diaminoethane
Acta Crystallographica Section B, 1998, 54, 151-161
2105516 CIF
Paper
C14 H18 N2 O2P 1 21/a 18.2121; 5.3401; 14.6014
90; 99.962; 90
630.67Ferguson, G.; Glidewell, C.; Gregson, R. M.; Meehan, P. R.; Patterson, I. L. J.
Formation of One-Dimensional Chains, Two-Dimensional Bilayers and a Three-Dimensional Diamondoid Architecture in Hydrogen-Bonded Adducts of 4,4'-Biphenol with 1,4-Diazabicyclo[2.2.2]octane and 1,2-Diaminoethane
Acta Crystallographica Section B, 1998, 54, 151-161
2105517 CIF
Paper
Cl6 K2 PtF m -3 m9.6781; 9.6781; 9.6781
90; 90; 90
906.51Schefer, J.; Schwarzenbach, D.; Fischer, P.; Koetzle, Th.; Larsen, F. K.; Haussühl, S.; Rüdlinger, M.; McIntyre, G.; Birkedal, H.; Bürgi, H.-B.
Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~ as a Function of Temperature
Acta Crystallographica Section B, 1998, 54, 121-128
2105518 CIF
Paper
Cl6 K2 PtF m -3 m9.6555; 9.6555; 9.6555
90; 90; 90
900.17Schefer, J.; Schwarzenbach, D.; Fischer, P.; Koetzle, Th.; Larsen, F. K.; Haussühl, S.; Rüdlinger, M.; McIntyre, G.; Birkedal, H.; Bürgi, H.-B.
Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~ as a Function of Temperature
Acta Crystallographica Section B, 1998, 54, 121-128
2105519 CIF
Paper
Cl6 K2 PtF m -3 m9.7525; 9.7525; 9.7525
90; 90; 90
927.6Schefer, J.; Schwarzenbach, D.; Fischer, P.; Koetzle, Th.; Larsen, F. K.; Haussühl, S.; Rüdlinger, M.; McIntyre, G.; Birkedal, H.; Bürgi, H.-B.
Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~ as a Function of Temperature
Acta Crystallographica Section B, 1998, 54, 121-128
2105520 CIF
Paper
Cl6 K2 PtF m -3 m9.7799; 9.7799; 9.7799
90; 90; 90
935.41Schefer, J.; Schwarzenbach, D.; Fischer, P.; Koetzle, Th.; Larsen, F. K.; Haussühl, S.; Rüdlinger, M.; McIntyre, G.; Birkedal, H.; Bürgi, H.-B.
Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~ as a Function of Temperature
Acta Crystallographica Section B, 1998, 54, 121-128
2105521 CIF
Paper
Cl6 K2 PtF m -3 m9.6489; 9.6489; 9.6489
90; 90; 90
898.32Schefer, J.; Schwarzenbach, D.; Fischer, P.; Koetzle, Th.; Larsen, F. K.; Haussühl, S.; Rüdlinger, M.; McIntyre, G.; Birkedal, H.; Bürgi, H.-B.
Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~ as a Function of Temperature
Acta Crystallographica Section B, 1998, 54, 121-128
2105522 CIF
Paper
Cl6 K2 PtF m -3 m9.6654; 9.6654; 9.6654
90; 90; 90
902.94Schefer, J.; Schwarzenbach, D.; Fischer, P.; Koetzle, Th.; Larsen, F. K.; Haussühl, S.; Rüdlinger, M.; McIntyre, G.; Birkedal, H.; Bürgi, H.-B.
Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~ as a Function of Temperature
Acta Crystallographica Section B, 1998, 54, 121-128
2105523 CIF
Paper
Cl6 K2 PtF m -3 m9.7537; 9.7537; 9.7537
90; 90; 90
927.91Schefer, J.; Schwarzenbach, D.; Fischer, P.; Koetzle, Th.; Larsen, F. K.; Haussühl, S.; Rüdlinger, M.; McIntyre, G.; Birkedal, H.; Bürgi, H.-B.
Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~ as a Function of Temperature
Acta Crystallographica Section B, 1998, 54, 121-128
2105524 CIF
Paper
Cl6 K2 PtF m -3 m9.743; 9.743; 9.743
90; 90; 90
924.9Schefer, J.; Schwarzenbach, D.; Fischer, P.; Koetzle, Th.; Larsen, F. K.; Haussühl, S.; Rüdlinger, M.; McIntyre, G.; Birkedal, H.; Bürgi, H.-B.
Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~ as a Function of Temperature
Acta Crystallographica Section B, 1998, 54, 121-128
2105525 CIF
Paper
Cl6 K2 PtF m -3 m9.673; 9.673; 9.673
90; 90; 90
905.1Schefer, J.; Schwarzenbach, D.; Fischer, P.; Koetzle, Th.; Larsen, F. K.; Haussühl, S.; Rüdlinger, M.; McIntyre, G.; Birkedal, H.; Bürgi, H.-B.
Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~ as a Function of Temperature
Acta Crystallographica Section B, 1998, 54, 121-128
2105526 CIF
Paper
Cl6 K2 PtF m -3 m9.6911; 9.6911; 9.6911
90; 90; 90
910.16Schefer, J.; Schwarzenbach, D.; Fischer, P.; Koetzle, Th.; Larsen, F. K.; Haussühl, S.; Rüdlinger, M.; McIntyre, G.; Birkedal, H.; Bürgi, H.-B.
Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~ as a Function of Temperature
Acta Crystallographica Section B, 1998, 54, 121-128
2105527 CIF
Paper
Cl6 K2 PtF m -3 m9.6862; 9.6862; 9.6862
90; 90; 90
908.78Schefer, J.; Schwarzenbach, D.; Fischer, P.; Koetzle, Th.; Larsen, F. K.; Haussühl, S.; Rüdlinger, M.; McIntyre, G.; Birkedal, H.; Bürgi, H.-B.
Neutron and X-ray Diffraction Study of the Thermal Motion in K~2~PtCl~6~ as a Function of Temperature
Acta Crystallographica Section B, 1998, 54, 121-128
2105528 CIF
Paper
C24 H39 N O3P 6114.564; 14.564; 20.282
90; 90; 120
3725.7Maurin, J. K.
Oxime–Carboxyl Hydrogen Bonds: the Preferred Interaction Determining Crystal Packing of `Carboxyoximes'
Acta Crystallographica Section B, 1998, 54, 866-871
2105529 CIF
Paper
C42 H44 N2 O6P -110.943; 11.1075; 15.249
98.672; 96.312; 98.377
1796.2Ferguson, G.; Glidewell, C.; Gregson, R. M.; Meehan, P. R.
Crystal Engineering Using Tris-phenols. Cross-Linked, Pairwise-Interwoven Two-Dimensional Nets in the 2:1 Adduct of 1,1,1-Tris(4-hydroxyphenyl)ethane with 1,2-Diaminoethane
Acta Crystallographica Section B, 1998, 54, 330-338
2105530 CIF
Paper
C58 H64 N2 O12P 1 21/a 113.667; 18.647; 20.188
90; 90.72; 90
5144Thuéry, Pierre; Nierlich, Martine; Calemczuk, Roberto; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques
Three conformational polymorphs and order‒disorder phase transition in a calix[4]arene bis(crown)
Acta Crystallographica Section B, 1999, 55, 95-103
2105531 CIF
Paper
C58 H64 N2 O12P 1 21/a 120.341; 11.709; 23.875
90; 112.39; 90
5258Thuéry, Pierre; Nierlich, Martine; Calemczuk, Roberto; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques
Three conformational polymorphs and order‒disorder phase transition in a calix[4]arene bis(crown)
Acta Crystallographica Section B, 1999, 55, 95-103
2105532 CIF
Paper
C58 H64 N2 O12P -120.285; 11.608; 23.894
92.22; 112.32; 87.81
5199Thuéry, Pierre; Nierlich, Martine; Calemczuk, Roberto; Saadioui, Mohamed; Asfari, Zouhair; Vicens, Jacques
Three conformational polymorphs and order‒disorder phase transition in a calix[4]arene bis(crown)
Acta Crystallographica Section B, 1999, 55, 95-103
2105533 CIF
Paper
C6 H2 F4 O2P 1 21/n 16.5533; 4.8848; 10.148
90; 107.99; 90
308.97Thalladi, Venkat R.; Weiss, Hans-Christoph; Boese, Roland; Nangia, Ashwini; Desiraju, Gautam R.
A comparative study of the crystal structures of tetrahalogenated hydroquinones and γ-hydroquinone
Acta Crystallographica Section B, 1999, 55, 1005-1013
2105534 CIF
Paper
C6 H2 Br4 O2P 1 21/n 18.8907; 4.7316; 11.0612
90; 92.167; 90
464.981Thalladi, Venkat R.; Weiss, Hans-Christoph; Boese, Roland; Nangia, Ashwini; Desiraju, Gautam R.
A comparative study of the crystal structures of tetrahalogenated hydroquinones and γ-hydroquinone
Acta Crystallographica Section B, 1999, 55, 1005-1013
2105535 CIF
Paper
C20 H18 O6 SP 1 21/n 18.489; 13.433; 15.802
90; 97.431; 90
1786.8Gallucci, J. C.; Hart, D. J.; Young, D. G. J.
Nucleophile–Electrophile Interactions in 1,8-Disubstituted Naphthalenes: Structures of Three 1-Naphthaldehydes and a 1-Naphthyl Methyl Ketone
Acta Crystallographica Section B, 1998, 54, 73-81
2105536 CIF
Paper
C19 H16 O5 SP 1 21/n 17.922; 14.664; 14.473
90; 94.26; 90
1676.7Gallucci, J. C.; Hart, D. J.; Young, D. G. J.
Nucleophile‒Electrophile Interactions in 1,8-Disubstituted Naphthalenes: Structures of Three 1-Naphthaldehydes and a 1-Naphthyl Methyl Ketone
Acta Crystallographica Section B, 1998, 54, 73-81
2105537 CIF
Paper
C19 H14 O4P 1 21/n 18.075; 15.441; 12.239
90; 102.43; 90
1490.3Gallucci, J. C.; Hart, D. J.; Young, D. G. J.
Nucleophile–Electrophile Interactions in 1,8-Disubstituted Naphthalenes: Structures of Three 1-Naphthaldehydes and a 1-Naphthyl Methyl Ketone
Acta Crystallographica Section B, 1998, 54, 73-81
2105538 CIF
Paper
C21 H20 O6 SP 1 21/n 110.586; 7.727; 24.361
90; 99.29; 90
1966.5Gallucci, J. C.; Hart, D. J.; Young, D. G. J.
Nucleophile‒Electrophile Interactions in 1,8-Disubstituted Naphthalenes: Structures of Three 1-Naphthaldehydes and a 1-Naphthyl Methyl Ketone
Acta Crystallographica Section B, 1998, 54, 73-81
2105539 CIF
Paper
C14 H10 N2 O2P 21 21 2119.655; 10.677; 5.503
90; 90; 90
1154.8Botoshansky, M.; Ellern, A.; Gasper, N.; Henck, J.-O.; Herbstein, F. H.
Structural, Thermodynamic and Kinetic (Hysteresis) Aspects of the Enantiotropic First-Order Phase Transformations of <i>N</i>-Anilinophthalimide and <i>N</i>-(<i>N</i>'-Methylanilino)phthalimide
Acta Crystallographica Section B, 1998, 54, 277-290
2105540 CIF
Paper
C14 H10 N2 O2P 1 21/a 114.724; 12.664; 13.97
90; 115.38; 90
2353.5Botoshansky, M.; Ellern, A.; Gasper, N.; Henck, J.-O.; Herbstein, F. H.
Structural, Thermodynamic and Kinetic (Hysteresis) Aspects of the Enantiotropic First-Order Phase Transformations of <i>N</i>-Anilinophthalimide and <i>N</i>-(<i>N</i>'-Methylanilino)phthalimide
Acta Crystallographica Section B, 1998, 54, 277-290
2105541 CIF
Paper
C15 H12 N2 O2P 1 21/c 17.752; 14.567; 11.118
90; 92.25; 90
1254.5Botoshansky, M.; Ellern, A.; Gasper, N.; Henck, J.-O.; Herbstein, F. H.
Structural, Thermodynamic and Kinetic (Hysteresis) Aspects of the Enantiotropic First-Order Phase Transformations of <i>N</i>-Anilinophthalimide and <i>N</i>-(<i>N</i>'-Methylanilino)phthalimide
Acta Crystallographica Section B, 1998, 54, 277-290
2105542 CIF
Paper
C15 H12 N2 O2P -15.745; 8.347; 14.213
74.45; 87.75; 75.39
635.1Botoshansky, M.; Ellern, A.; Gasper, N.; Henck, J.-O.; Herbstein, F. H.
Structural, Thermodynamic and Kinetic (Hysteresis) Aspects of the Enantiotropic First-Order Phase Transformations of <i>N</i>-Anilinophthalimide and <i>N</i>-(<i>N</i>'-Methylanilino)phthalimide
Acta Crystallographica Section B, 1998, 54, 277-290
2105543 CIF
Paper
C5 H8 N4 O5P 1 21/c 17.237; 6.363; 17.449
90; 90.51; 90
803.5Parkin, S.; Hope, H.
Uric Acid Dihydrate Revisited
Acta Crystallographica Section B, 1998, 54, 339-344
2105544 CIF
Paper
C31 H41 N O3P 1 21 114.453; 6.054; 16.1117
90; 105.332; 90
1359.58Hager, O.; Foces-Foces, C.; Llamas-Saiz, A. L.; Weber, E.
Temperature-Dependent Phase Transitions in Two Crystalline Host‒Guest Complexes Derived from Mandelic Acid
Acta Crystallographica Section B, 1998, 54, 82-93
2105545 CIF
Paper
C31 H41 N O3P 1 21 124.811; 6.0739; 18.8645
90; 98.1; 90
2814.5Hager, O.; Foces-Foces, C.; Llamas-Saiz, A. L.; Weber, E.
Temperature-Dependent Phase Transitions in Two Crystalline Host‒Guest Complexes Derived from Mandelic Acid
Acta Crystallographica Section B, 1998, 54, 82-93
2105546 CIF
Paper
C32 H43 N O3P 1 21 124.446; 5.9519; 20.461
90; 101.954; 90
2912.5Hager, O.; Foces-Foces, C.; Llamas-Saiz, A. L.; Weber, E.
Temperature-Dependent Phase Transitions in Two Crystalline Host–Guest Complexes Derived from Mandelic Acid
Acta Crystallographica Section B, 1998, 54, 82-93
2105547 CIF
Paper
C32 H43 N O3P 114.417; 6.0303; 17.564
88.736; 101.43; 93.135
1494.4Hager, O.; Foces-Foces, C.; Llamas-Saiz, A. L.; Weber, E.
Temperature-Dependent Phase Transitions in Two Crystalline Host‒Guest Complexes Derived from Mandelic Acid
Acta Crystallographica Section B, 1998, 54, 82-93
2105548 CIF
Paper
Hf O3 PbP b a m5.856; 11.729; 8.212
90; 90; 90
564Corker, D. L.; Glazer, A. M.; Kaminsky, W.; Whatmore, R. W.; Dec, J.; Roleder, K.
Investigation into the Crystal Structure of the Perovskite Lead Hafnate, PbHfO~3~
Acta Crystallographica Section B, 1998, 54, 18-28
2105549 CIF
Paper
Hf O3 PbP b a m5.8582; 11.7224; 8.2246
90; 90; 90
564.8Corker, D. L.; Glazer, A. M.; Kaminsky, W.; Whatmore, R. W.; Dec, J.; Roleder, K.
Investigation into the Crystal Structure of the Perovskite Lead Hafnate, PbHfO~3~
Acta Crystallographica Section B, 1998, 54, 18-28
2105550 CIF
Paper
C5 H16 Cl4 Co N2P 1 21/c 17.1633; 15.94; 11.137
90; 98.44; 90
1257.9Criado, J. J.; Jiménez-Sánchez, A.; Cano, F. H.; Sáez-Puche, R.; Rodríguez-Fernández, E.
Preparation and characterization of tetrachlorocobaltates(II) of α,ω-alkylenediammonium. Magnetic and thermal properties. Crystal structure of [NH~3~(CH~2~)~5~NH~3~]CoCl~4~
Acta Crystallographica Section B, 1999, 55, 947-952
2105551 CIF
Paper
Al0.97 Ge1.03 K0.19 Na0.78 O4P 6310.164; 10.164; 8.54
90; 90; 120
764Hammond, R. P.; Barbier, J.
Monoclinic and Hexagonal Nepheline Structures of (Na~3/4~/K~1/4~)AlGeO~4~
Acta Crystallographica Section B, 1998, 54, 211-220

Blue left arrow Blue left arrow First | Blue left arrow Previous 100 | of 108 | Next 100 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!