Crystallography Open Database

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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
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
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
2105683 CIF
Paper
C4 H10 Ag2 N4 O10P 1 21 15.451; 19.493; 5.441
90; 100.12; 90
569.1Choudhury, R. R.; Chitra, R.; Aliouane, N.; Schefer, J.
Ferroelectric glycine silver nitrate: a single-crystal neutron diffraction study
Acta Crystallographica Section B, 2013, 69, 595-602
2105684 CIF
Paper
C4 H10 Ag2 N4 O10P 1 21/a 15.451; 19.493; 5.541
90; 100.2; 90
579.5Choudhury, R. R.; Chitra, R.; Aliouane, N.; Schefer, J.
Ferroelectric glycine silver nitrate: a single-crystal neutron diffraction study
Acta Crystallographica Section B, 2013, 69, 595-602
2105685 CIF
Paper
Mg2 O6 Si2C 1 2/c 19.5387; 8.6601; 5.262
90; 108.701; 90
411.72Yoshiasa, Akira; Nakatsuka, Akihiko; Okube, Maki; Katsura, Tomoo
Single-crystal metastable high-temperature <i>C</i>2/<i>c</i> clinoenstatite quenched rapidly from high temperature and high pressure
Acta Crystallographica Section B, 2013, 69, 541-546

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