Crystallography Open Database
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Searching year of publication is 2016
COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 1548618 | CIF | Al Ti | P m -3 m | 3.018; 3.018; 3.018 90; 90; 90 | 27.489 | Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics Metals, 2016, 6, 165 |
| 7038071 | CIF | S2 Sn | P -3 m 1 | 3.5074; 3.5074; 4.978 90; 90; 120 | 53.03 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038077 | CIF | S2 Sn | P -3 m 1 | 3.5272; 3.5272; 5.026 90; 90; 120 | 54.15 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038075 | CIF | S2 Sn | P -3 m 1 | 3.5343; 3.5343; 5.068 90; 90; 120 | 54.82 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038076 | CIF | S2 Sn | P -3 m 1 | 3.5362; 3.5362; 5.1 90; 90; 120 | 55.23 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038078 | CIF | S2 Sn | P -3 m 1 | 3.5388; 3.5388; 5.175 90; 90; 120 | 56.12 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038072 | CIF | S2 Sn | P -3 m 1 | 3.5455; 3.5455; 5.257 90; 90; 120 | 57.23 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038082 | CIF | S2 Sn | P -3 m 1 | 3.5605; 3.5605; 5.317 90; 90; 120 | 58.37 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038074 | CIF | S2 Sn | P -3 m 1 | 3.5766; 3.5766; 5.393 90; 90; 120 | 59.75 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038081 | CIF | S2 Sn | P -3 m 1 | 3.5983; 3.5983; 5.494 90; 90; 120 | 61.6 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 2107529 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9637; 3.9637; 3.9637 90; 90; 90 | 62.273 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107530 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9639; 3.9639; 3.9639 90; 90; 90 | 62.28 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107531 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9646; 3.9646; 3.9646 90; 90; 90 | 62.32 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107532 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9674; 3.9674; 3.9674 90; 90; 90 | 62.45 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 7038070 | CIF | S2 Sn | P -3 m 1 | 3.6067; 3.6067; 5.544 90; 90; 120 | 62.46 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 2107533 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9702; 3.9702; 3.9702 90; 90; 90 | 62.58 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107528 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9503; 3.9503; 4.0161 90; 90; 90 | 62.67 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107534 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9734; 3.9734; 3.9734 90; 90; 90 | 62.73 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107527 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9474; 3.9474; 4.0263 90; 90; 90 | 62.74 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107526 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9435; 3.9435; 4.0401 90; 90; 90 | 62.83 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107525 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9339; 3.9339; 4.0683 90; 90; 90 | 62.96 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107524 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9211; 3.9211; 4.1025 90; 90; 90 | 63.076 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107521 | CIF HKL Paper | O3 Pb Ti | P 4 m m | 3.8992; 3.8992; 4.1499 90; 90; 90 | 63.094 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107523 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9117; 3.9117; 4.1243 90; 90; 90 | 63.108 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107522 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9043; 3.9043; 4.1407 90; 90; 90 | 63.119 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 7038069 | CIF | S2 Sn | P -3 m 1 | 3.6215; 3.6215; 5.65 90; 90; 120 | 64.17 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 1561463 | CIF | Eu Nb O3 | P m -3 m | 4.02753; 4.02753; 4.02753 90; 90; 90 | 65.3306 | Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa Structural phase transitions in EuNbO3 perovskite Journal of Solid State Chemistry, 2016, 239, 192-199 |
| 7038080 | CIF | S2 Sn | P -3 m 1 | 3.6339; 3.6339; 5.7322 90; 90; 120 | 65.55 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 1545053 | CIF | Al Ti | P 4/m m m | 4.01867; 4.01867; 4.06542 90; 90; 90 | 65.655 | Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics Metals, 2016, 6, 165 |
| 7038073 | CIF | S2 Sn | P -3 m 1 | 3.639; 3.639; 5.7853 90; 90; 120 | 66.35 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 2107445 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6047; 3.6047; 5.184 90; 90; 90 | 67.36 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107446 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6053; 3.6053; 5.1843 90; 90; 90 | 67.387 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107448 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6055; 3.6055; 5.1841 90; 90; 90 | 67.391 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107450 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6059; 3.6059; 5.1838 90; 90; 90 | 67.402 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107452 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6062; 3.6062; 5.1841 90; 90; 90 | 67.418 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107454 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.612; 3.612; 5.172 90; 90; 90 | 67.48 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 7038079 | CIF | S2 Sn | P -3 m 1 | 3.6456; 3.6456; 5.8934 90; 90; 120 | 67.832 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 2300621 | CIF HKL | Co0.3 Fe0.7 Si | P 21 3 | 4.4732; 4.4732; 4.4732 90; 90; 90 | 89.507 | Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry Probing structural chirality with high-energy synchrotron radiation Journal of Applied Crystallography, 2016, 49, 918-922 |
| 1552017 | CIF | O2 Xe | P n m a | 3.5614; 5.7987; 4.4054 90; 90; 90 | 90.978 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 2300619 | CIF HKL | Mn Si | P 21 3 | 4.5622; 4.5622; 4.5622 90; 90; 90 | 94.956 | Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry Probing structural chirality with high-energy synchrotron radiation Journal of Applied Crystallography, 2016, 49, 918-922 |
| 2300620 | CIF HKL | Mn Si | P 21 3 | 4.5662; 4.5662; 4.5662 90; 90; 90 | 95.206 | Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry Probing structural chirality with high-energy synchrotron radiation Journal of Applied Crystallography, 2016, 49, 918-922 |
| 1561384 | CIF | Ga Sm Sn2 | P m -3 m | 4.5778; 4.5778; 4.5778 90; 90; 90 | 95.93 | Tillard, Monique A phase width for CaGaSn. Crystal structure of mixed intermetallic Ca4Ga4+xSn4−x and SmGaxSn3−x, stability, geometry and electronic structure Journal of Solid State Chemistry, 2016, 242, 63-70 |
| 1561530 | CIF | In K S4 Sn | P 6/m | 3.745; 3.745; 8.434 90; 90; 120 | 102.44 | Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry, 2016, 238, 291-302 |
| 1561529 | CIF | In Na S4 Sn | P 6/m | 3.7273; 3.7273; 8.56 90; 90; 120 | 102.99 | Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry, 2016, 238, 291-302 |
| 9017758 | CIF | Cu0.53 Fe0.47 Se2 | P n n m | 4.918; 6.001; 3.57 90; 90; 90 | 105.361 | Bindi, L.; Forster, H. J.; Grundmann, G.; Keutsch, F. N.; Stanley, C. J. Petricekite, CuSe2, a new member of the marcasite group from the Predborice Deposit, Central Bohemia Region, Czech Republic Minerals, 2016, 6 |
| 1544392 | CIF | D2.32 Mg2.45 O6 Si1.19 | R -3 m | 2.97065; 2.97065; 13.9033 90; 90; 120 | 106.256 | Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S. Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study Physics and Chemistry of Minerals, 2016, 43, 267-475 |
| 1544393 | CIF | D2.22 Mg2.28 O6 Si1.31 | R -3 m | 2.97065; 2.97065; 13.9033 90; 90; 120 | 106.256 | Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S. Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study :tilted O-D dipole model Physics and Chemistry of Minerals, 2016, 43, 267-475 |
| 1561387 | CIF | Al2 Pt3 Sr | P 6/m m m | 5.6629; 5.6629; 3.8939 90; 90; 120 | 108.142 | Stegemann, Frank; Benndorf, Christopher; Touzani, Rachid St.; Fokwa, Boniface P.T.; Janka, Oliver Experimental and theoretical investigations of the polar intermetallics SrPt3Al2 and Sr2Pd2Al Journal of Solid State Chemistry, 2016, 242, 143-150 |
| 7040217 | CIF | Sn | I 41/a m d :2 | 5.8323; 5.8323; 3.1823 90; 90; 90 | 108.25 | Allison, M. C.; Avdeev, M.; Schmid, S.; Liu, S.; Söhnel, T; Ling, C. D. Synthesis, structure and geometrically frustrated magnetism of the layered oxide-stannide compounds Fe(Fe3-xMnx)Si2Sn7O16. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9689-9694 |
| 1552018 | CIF | O3 Xe | P 21 21 21 | 7.6536; 3.2888; 4.5277 90; 90; 90 | 113.967 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 2107540 | CIF HKL Paper | In1.95 S3 | P -3 m 1 | 3.86564; 3.86564; 9.1569 90; 90; 120 | 118.501 | Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; di Michiel, Marco; Schorr, Susan; Klenk, Reiner; Lehmann, Sebastian Structure reinvestigation of α-, β- and γ-In~2~S~3~ Acta Crystallographica Section B, 2016, 72, 410-415 |
| 4344741 | CIF | Mn O6 Pb Te | P -6 2 m | 5.10143; 5.10143; 5.39643 90; 90; 120 | 121.624 | Kim, Sun Woo; Deng, Zheng; Li, Man-Rong; Sen Gupta, Arnab; Akamatsu, Hirofumi; Gopalan, Venkatraman; Greenblatt, Martha PbMn(IV)TeO6: A New Noncentrosymmetric Layered Honeycomb Magnetic Oxide. Inorganic chemistry, 2016, 55, 1333-1338 |
| 1561490 | CIF | Ga3 Ta | I 4/m m m | 3.7695; 3.7695; 8.7271 90; 90; 90 | 124 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 1545054 | CIF | Al Ti3 | P 63/m m c | 5.76803; 5.76803; 4.64241 90; 90; 120 | 133.761 | Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics Metals, 2016, 6, 165 |
| 2241796 | CIF HKL Paper | F4 Nb | I 4/m m m | 4.0876; 4.0876; 8.1351 90; 90; 90 | 135.93 | Bandemehr, Jascha; Conrad, Matthias; Kraus, Florian Redetermination of the crystal structure of NbF~4~ Acta Crystallographica Section E, 2016, 72, 1211-1213 |
| 7224572 | CIF | Nb2.667 O8 Zn1.333 | P b c n | 4.7283; 5.7208; 5.0331 90; 90; 90 | 136.14 | Zhao, Dan; Ma, Fa-Xue; Zhang, Rui-Juan; Li, Fei-Fei; Zhang, Lei; Yang, Juan; Fan, Yun-Chang; Xin, Xia Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb2O6 CrystEngComm, 2016, 18, 2929 |
| 1552016 | CIF | O2 Xe3 | I m m m | 8.5363; 3.2173; 4.9636 90; 90; 90 | 136.32 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 2107453 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1604; 5.2072; 5.3208 90; 98.822; 90 | 141.28 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107455 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1603; 5.2086; 5.3211 90; 98.912; 90 | 141.29 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107451 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1595; 5.2069; 5.3223 90; 98.78; 90 | 141.31 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107449 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1623; 5.2052; 5.3229 90; 98.63; 90 | 141.41 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107447 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.164; 5.206; 5.325 90; 98.7; 90 | 141.51 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2311086 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory Acta Crystallographica Section A, 2016, 72, 206-214 |
| 7234885 | CIF | Cl Gd H2 O2 | P 1 21/m 1 | 6.18; 3.757; 6.734 90; 111.075; 90 | 145.9 | Yanyan Wang; Lei Qin; Guo-Jun Zhou; Xinxin Ye; Jiaqing He; Yan-Zhen Zheng High-performance low-temperature magnetic refrigerants made of gadolinium-hydroxy-chloride Journal of Materials Chemistry C, 2016, 4, 6473-6477 |
| 3500059 | CIF HKL | O4 Pd S | I 1 2/m 1 | 4.9466; 4.9481; 6.1943 90; 92.8096; 90 | 151.43 | Yvon Laligant; Armel Le Bail Approaching the crystal structure of N-PdSO4 in the monoclinic subcell a/2, b/2, c/2 (see J. Alloys and Compounds 216, 1994, 11-19) Personal communication to COD, 2016 |
| 4347866 | CIF | C H3 N3 Yb | P 63/m | 5.25963; 5.25963; 6.67042 90; 90; 120 | 159.806 | Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3. Inorganic chemistry, 2016, 55, 6161-6168 |
| 1561483 | CIF | Ga2 Ta3 | P 4/m b m | 6.8388; 6.8388; 3.4933 90; 90; 90 | 163.379 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 4124925 | CIF | As2 Ca Co1.87 | I 4/m m m | 3.9927; 3.9927; 10.3133 90; 90; 90 | 164.411 | Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731 |
| 4124924 | CIF | As2 Ca0.9 Co1.906 Eu0.1 | I 4/m m m | 3.9984; 3.9984; 10.3696 90; 90; 90 | 165.781 | Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731 |
| 4124926 | CIF | As2 Ca0.845 Co1.888 La0.155 | I 4/m m m | 4.0018; 4.0018; 10.3726 90; 90; 90 | 166.111 | Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731 |
| 4002659 | CIF | Al Li O2 | P 41 21 2 | 5.15885; 5.15885; 6.27 90; 90; 90 | 166.868 | Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers Chemistry of Materials, 2016, 28, 915 |
| 4002658 | CIF | Al Li O2 | P 41 21 2 | 5.1965; 5.1965; 6.3464 90; 90; 90 | 171.376 | Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers Chemistry of Materials, 2016, 28, 915 |
| 2107953 | CIF | Al0.1 Ba2 Ca0.08 Cu2.9 O6.89 Y0.92 | P 4/m m m | 3.8526; 3.8526; 11.666 90; 90; 90 | 173.15 | Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B, 2016, 72, 702-708 |
| 2107952 | CIF Paper | Al0.16 Ba2 Ca0.05 Cu2.84 O6.75 Y0.95 | P 4/m m m | 3.8551; 3.8551; 11.6782 90; 90; 90 | 173.56 | Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B, 2016, 72, 702-708 |
| 7041112 | CIF | C2 H6 N10 O2 | P -1 | 4.7498; 5.8928; 6.7042 98.39; 90.89; 109.46 | 174.62 | Zhang, Zhi-Bin; Xu, Cai-Xia; Yin, Xin; Zhang, Jian-Guo Hydrazine 5,5'-bitetrazole-1,1'-diolate: a promising high density energetic salt with good properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 19045-19052 |
| 4130845 | CIF | C8 H6 O4 | P -1 | 5.0384; 5.3623; 7.006 71.993; 76.093; 87.198 | 174.67 | Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals. Journal of the American Chemical Society, 2016, 138, 13298-13306 |
| 4130843 | CIF | C8 H6 O4 | P -1 | 5.0374; 5.3641; 7.0068 72.004; 76.098; 87.219 | 174.73 | Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals. Journal of the American Chemical Society, 2016, 138, 13298-13306 |
| 4002660 | CIF | Al Li O2 | P 41 21 2 | 5.2252; 5.2252; 6.4038 90; 90; 90 | 174.841 | Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers Chemistry of Materials, 2016, 28, 915 |
| 7041111 | CIF | C2 H6 N10 O2 | P -1 | 4.751; 5.9102; 6.7024 98.682; 90.702; 109.077 | 175.44 | Zhang, Zhi-Bin; Xu, Cai-Xia; Yin, Xin; Zhang, Jian-Guo Hydrazine 5,5'-bitetrazole-1,1'-diolate: a promising high density energetic salt with good properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 19045-19052 |
| 1561564 | CIF | Ba Li2 Mn O8 V2 | P -3 | 5.2887; 5.2887; 7.3026 90; 90; 120 | 176.89 | Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry, 2016, 236, 61-68 |
| 4124927 | CIF | As2 Co2 Eu | I 4/m m m | 3.929; 3.929; 11.512 90; 90; 90 | 177.71 | Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731 |
| 4130844 | CIF | C8 H6 O4 | P -1 | 3.7793; 6.4791; 7.404 82.942; 81.006; 88.982 | 177.71 | Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals. Journal of the American Chemical Society, 2016, 138, 13298-13306 |
| 4344617 | CIF | Cu Ga3 Gd | I 4 m m | 4.119; 4.119; 10.5327 90; 90; 90 | 178.699 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344615 | CIF | Cu Ga3 Sm | I 4 m m | 4.1441; 4.1441; 10.5568 90; 90; 90 | 181.3 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344618 | CIF | Cu Ga3 Nd | I 4 m m | 4.1913; 4.1913; 10.409 90; 90; 90 | 182.85 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344614 | CIF | Cu Ga3 Nd | I 4 m m | 4.202; 4.202; 10.4151 90; 90; 90 | 183.9 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344613 | CIF | Cu Ga3 Pr | I 4 m m | 4.209; 4.209; 10.4885 90; 90; 90 | 185.811 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344619 | CIF | Cu Ga3 Nd | I 4 m m | 4.2194; 4.2194; 10.449 90; 90; 90 | 186.03 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4002641 | CIF | B2 H8 Mn | P -4 n 2 | 5.5526; 5.5526; 6.07271 90; 90; 90 | 187.23 | Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density Chemistry of Materials, 2016, 28, 274 |
| 1561370 | CIF | Cu0.25 In0.25 Se Zn0.5 | F -4 3 m | 5.73157; 5.73157; 5.73157 90; 90; 90 | 188.287 | Nolas, George S.; Hassan, M. Shafiq; Dong, Yongkwan; Martin, Joshua Synthesis, crystal structure and electrical properties of the tetrahedral quaternary chalcogenides CuM2InTe4 (M=Zn, Cd) Journal of Solid State Chemistry, 2016, 242, 50-54 |
| 4344612 | CIF | Ce Cu Ga3 | I 4 m m | 4.2487; 4.2487; 10.4372 90; 90; 90 | 188.407 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 1561565 | CIF | Ba Co Na2 O8 V2 | P -3 m 1 | 5.5489; 5.5489; 7.0741 90; 90; 120 | 188.63 | Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry, 2016, 236, 61-68 |
| 1561566 | CIF | Ba Fe Na2 O8 V2 | P -3 m 1 | 5.5731; 5.5731; 7.1034 90; 90; 120 | 191.07 | Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry, 2016, 236, 61-68 |
| 4344611 | CIF | Cu Ga3 La | I 4 m m | 4.2837; 4.2837; 10.4482 90; 90; 90 | 191.725 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344616 | CIF | Cu Eu Ga3 | I 4 m m | 4.2589; 4.2589; 10.6898 90; 90; 90 | 193.894 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 1561567 | CIF | Ba Mn Na2 O8 V2 | P -3 m 1 | 5.5921; 5.5921; 7.1628 90; 90; 120 | 193.98 | Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry, 2016, 236, 61-68 |
| 7039298 | CIF | B8 Fe3 Ta7 | P 6/m m m | 8.2788; 8.2788; 3.2934 90; 90; 120 | 195.48 | Zheng, Qiang; Gumeniuk, Roman; Borrmann, Horst; Schnelle, Walter; Tsirlin, Alexander A.; Rosner, Helge; Burkhardt, Ulrich; Reissner, Michael; Grin, Yuri; Leithe-Jasper, Andreas Ternary borides Nb7Fe3B8 and Ta7Fe3B8 with Kagome-type iron framework. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9590-9600 |
| 7039297 | CIF | B8 Fe3 Nb7 | P 6/m m m | 8.3346; 8.3346; 3.2941 90; 90; 120 | 198.17 | Zheng, Qiang; Gumeniuk, Roman; Borrmann, Horst; Schnelle, Walter; Tsirlin, Alexander A.; Rosner, Helge; Burkhardt, Ulrich; Reissner, Michael; Grin, Yuri; Leithe-Jasper, Andreas Ternary borides Nb7Fe3B8 and Ta7Fe3B8 with Kagome-type iron framework. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9590-9600 |
| 2311689 | CIF Paper | Mo O3 | P m c n | 3.6961; 3.96122; 13.85331 90; 90; 90 | 202.827 | Sławiński, Wojciech A; Fjellvåg, Øystein S; Ruud, Amund; Fjellvåg, Helmer A novel polytype - the stacking fault based γ-MoO3 nanobelts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 201-208 |
| 7226300 | CIF | Fe4.48 N2 S4 | I 4/m m m | 3.68795; 3.68795; 15.1134 90; 90; 90 | 205.557 | Lai, Xiaofang; Lin, Zhiping; Bu, Kejun; Wang, Xin; Zhang, Hui; Li, Dandan; Wang, Yingqi; Gu, Yuhao; Lin, Jianhua; Huang, Fu Qiang Ammonia and iron cointercalated iron sulfide (NH3)Fe0.25Fe2S2: hydrothermal synthesis, crystal structure, weak ferromagnetism and crossover from negative to positive magnetoresistance RSC Adv., 2016 |
| 4516751 | CIF | C H6 Br3 N Pb | P m -3 m | 5.9328; 5.9328; 5.9328 90; 90; 90 | 208.82 | Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I. High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties. ACS central science, 2016, 2, 201-209 |
| 1544637 | CIF | As H O5 Zn2 | P -1 | 5.8438; 6.7226; 5.6566 104.348; 92.32; 76.683 | 209.47 | Jinnouchi, S.; Yoshiasa, A.; Sugiyama, K.; Shimura, R.; Arima, H.; Momma, K.; Miyawaki, R. Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite Journal of Mineralogical and Petrological Sciences, 2016, 111, 35-43 |
| 1566652 | CIF | D2 O | P 61 2 2 | 6.32849; 6.32849; 6.05472 90; 90; 120 | 210.003 | del Rosso, L.; Grazzi, F.; Celli, M.; Colognesi, D.; Garcia-Sakai, V.; Ulivi, L. Refined structure of metastable ice XVII from neutron diffraction measurements The Journal of Physical Chemistry C, 2016, 120, 26955 |
| 2107508 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.4422; 4.13054; 4.449 90; 90; 90 | 210.271 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 1561563 | CIF | Ba K2 Mn O8 V2 | P -3 m 1 | 5.734; 5.734; 7.3859 90; 90; 120 | 210.3 | Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry, 2016, 236, 61-68 |
| 7226950 | CIF | Li Mo O6 V | C 1 2/m 1 | 9.3531; 3.6477; 6.647 90; 111.643; 90 | 210.79 | Tao, Xutang; Wang, Zheng; Wu, Qian; Zhu, Min; Gao, Zeliang; Tian, Xiangxin; Xia, Sheng-Qing; sun, youxuan Top-seeded solution growth and Characterization of Raman crystal LiVMoO6 RSC Adv., 2016 |
| 2107509 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.46438; 4.13865; 4.44651 90; 90; 90 | 210.974 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2300622 | CIF HKL | Mn1.52 Ni2 Sn0.48 | P m m a | 8.6068; 5.6226; 4.3728 90; 90; 90 | 211.611 | Lin, Chunqing; Yan, Haile; Zhang, Yudong; Esling, Claude; Zhao, Xiang; Zuo, Liang Crystal structure of modulated martensite and crystallographic correlations between martensite variants of Ni~50~Mn~38~Sn~12~ alloy Journal of Applied Crystallography, 2016, 49, 1276-1283 |
| 2107510 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.48933; 4.14894; 4.44118 90; 90; 90 | 211.705 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107511 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.49417; 4.15096; 4.44175 90; 90; 90 | 211.924 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107512 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.51746; 4.16192; 4.43267 90; 90; 90 | 212.479 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107513 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.51965; 4.16265; 4.43427 90; 90; 90 | 212.633 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 7119152 | CIF | C2 H6 Cd | P 42/m n m | 7.195; 7.195; 4.118 90; 90; 90 | 213.2 | Hanke, Felix; Hindley, Sarah; Jones, Anthony C.; Steiner, Alexander The solid state structures of the high and low temperature phases of dimethylcadmium Chemical Communications, 2016, 52, 10144 |
| 2107514 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.54547; 4.17619; 4.42402 90; 90; 90 | 213.309 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107515 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.57949; 4.19611; 4.40769 90; 90; 90 | 214.164 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107516 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.62; 4.22357; 4.38333 90; 90; 90 | 215.125 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107517 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.64398; 4.24224; 4.36522 90; 90; 90 | 215.627 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107518 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.67175; 4.26761; 4.33976 90; 90; 90 | 216.166 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107519 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.70577; 4.30722; 4.29911 90; 90; 90 | 216.758 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107520 | CIF HKL Paper | Se Sn0.9816 | C m c m | 4.29978; 11.71878; 4.31479 90; 90; 90 | 217.414 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 4002657 | CIF | Al1.76 Na1.76 Sn4.24 | P 61 2 2 | 6.3984; 6.3984; 6.1529 90; 90; 120 | 218.149 | Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24) Chemistry of Materials, 2016, 28, 601 |
| 4002656 | CIF | Al1.62 Na1.62 Sn4.38 | P 61 2 2 | 6.405; 6.405; 6.1427 90; 90; 120 | 218.24 | Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24) Chemistry of Materials, 2016, 28, 601 |
| 2311337 | CIF | Bi0.857 Ca0.143 F0.143 La O0.857 S2 | P 4/n m m :2 | 4.0548; 4.0548; 13.37 90; 90; 90 | 219.82 | Huang, Rongtie; Zhang, Hui; Wang, Dong; Cai, Chuanbing; Huang, Fuqiang Crystal structure and magnetic properties of LaCa0.143 (4)O0.857 (4)F0.143 (4)Bi0.857 (4)S2. Acta crystallographica. Section E, Crystallographic communications, 2016, 72, 845-848 |
| 7040681 | CIF | As0.96 Fe2.72 Te2 | P 63/m m c | 3.85091; 3.85091; 17.1367 90; 90; 120 | 220.082 | Verchenko, Valeriy Yu; Sokolov, Sergei S.; Tsirlin, Alexander A.; Sobolev, Alexey V.; Presniakov, Igor A.; Bykov, Mikhail A.; Kirsanova, Maria A.; Shevelkov, Andrei V. New Fe-based layered telluride Fe3-δAs1-yTe2: synthesis, crystal structure and physical properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 16938-16947 |
| 7235026 | CIF | Cl3 Cu3 H6 O6 Y | P -3 m 1 | 6.7436; 6.7436; 5.6182 90; 90; 120 | 221.26 | Wei Sun; Ya-Xi Huang; Sergiy Nokhrin; Yuanming Pan; Jin-Xiao Mi Perfect Kagome lattices in YCu3(OH)6Cl3: a new candidate for the quantum spin liquid state Journal of Materials Chemistry C, 2016, 4, 8772-8777 |
| 7235027 | CIF | Cl3 Cu3 H6 O6 Y | P -3 m 1 | 6.749; 6.749; 5.6244 90; 90; 120 | 221.86 | Wei Sun; Ya-Xi Huang; Sergiy Nokhrin; Yuanming Pan; Jin-Xiao Mi Perfect Kagome lattices in YCu3(OH)6Cl3: a new candidate for the quantum spin liquid state Journal of Materials Chemistry C, 2016, 4, 8772-8777 |
| 4002686 | CIF | Al3.94 Ce0.03 Mg4.06 N8 Sr1.97 | I 4/m | 8.176483; 8.176483; 3.35754 90; 90; 90 | 224.468 | Leano, Julius; Lin, Shing-Ying; Mahlik, Sebastian; Grinberg, Marek; Liang, Chaolun; Zhou, Wuzong; Molokeev, Maxim; Atuchin, Victor; Tsai, Yi-Ting; Lin, Cun Che; Sheu, Hwo-Shuenn; Liu, Ru-Shi Green Light-excitable Ce-doped Nitridomagnesoaluminate Sr[Mg2Al2N4] Phosphor for White Light-emitting Diodes Chemistry of Materials, 2016, 28, 6822-6825 |
| 7226342 | CIF | C10 H8 N4 | P -1 | 3.7762; 5.8688; 10.3157 90.165; 95.411; 99.256 | 224.59 | Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R. Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds CrystEngComm, 2016, 18, 8354 |
| 1566660 | CIF | D2 O | P 42/n m c :2 | 6.2446; 6.2446; 5.76203 90; 90; 90 | 224.691 | Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H. Partially ordered state of ice XV Scientific Reports, 2016, 6, 28920 |
| 1566650 | CIF | D2 O | P m m n :2 | 6.245; 6.242; 5.77577 90; 90; 90 | 225.15 | Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H. Partially ordered state of ice XV Scientific Reports, 2016, 6, 28920 |
| 1566649 | CIF | D2 O | P -1 | 6.23416; 6.21697; 5.83377 90.033; 89.922; 89.999 | 226.103 | Salzmann, C. G.; Slater, B.; Radaelli, P. G.; Finney, J. L.; Shephard, J. J.; Rosillo-Lopez, M.; Hindley, J. Detailed crystallographic analysis of the ice VI to ice XV hydrogen ordering phase transition The Journal of Chemical Physics, 2016, 145, 204501 |
| 7040680 | CIF | As0.96 Fe2.643 Te2 | P 63/m m c | 3.91052; 3.91052; 17.15815 90; 90; 120 | 227.232 | Verchenko, Valeriy Yu; Sokolov, Sergei S.; Tsirlin, Alexander A.; Sobolev, Alexey V.; Presniakov, Igor A.; Bykov, Mikhail A.; Kirsanova, Maria A.; Shevelkov, Andrei V. New Fe-based layered telluride Fe3-δAs1-yTe2: synthesis, crystal structure and physical properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 16938-16947 |
| 4344991 | CIF | B3 Fe0.86 Rh5.12 Ru1.02 | P 63 m c | 7.4396; 7.4396; 4.742 90; 90; 120 | 227.3 | Shankhari, Pritam; Misse, Patrick R. N.; Mbarki, Mohammed; Park, Hyounmyung; Fokwa, Boniface P. T. Chemical Tuning of Magnetic Properties through Ru/Rh Substitution in Th7Fe3-type FeRh6-nRunB3 (n = 1-5) Series. Inorganic chemistry, 2016 |
| 1554026 | CIF | C H3 N3 O2 S | P -1 | 5.624; 5.9498; 7.6329 72.216; 70.897; 88.601 | 229 | Deng, Guohai; Li, Dingqing; Wu, Zhuang; Li, Hongmin; Bernhardt, Eduard; Zeng, Xiaoqing Methanesulfonyl Azide: Molecular Structure and Photolysis in Solid Noble Gas Matrices. The journal of physical chemistry. A, 2016, 120, 5590-5597 |
| 2241637 | CIF HKL Paper | C5 H11 Na O8 S | P 1 | 4.8558; 5.8496; 8.795 76.517; 81.528; 71.392 | 229.51 | Haines, Alan H.; Hughes, David L. Crystal structure of sodium (1<i>S</i>)-<small>D</small>-lyxit-1-ylsulfonate Acta Crystallographica Section E, 2016, 72, 628-631 |
| 7226343 | CIF | C10 H8 N4 | P -1 | 3.8373; 5.9282; 10.3247 90.671; 95.227; 100.693 | 229.73 | Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R. Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds CrystEngComm, 2016, 18, 8354 |
| 1561369 | CIF | Cu0.25 In0.25 Te Zn0.5 | F -4 3 m | 6.15203; 6.15203; 6.15203 90; 90; 90 | 232.839 | Nolas, George S.; Hassan, M. Shafiq; Dong, Yongkwan; Martin, Joshua Synthesis, crystal structure and electrical properties of the tetrahedral quaternary chalcogenides CuM2InTe4 (M=Zn, Cd) Journal of Solid State Chemistry, 2016, 242, 50-54 |
| 7225889 | CIF | C7 H9 Cl N2 O4 | P 1 | 5.0265; 6.184; 8.1859 93.095; 102.264; 106.883 | 236.1 | Spaniol, Jacqueline M.; Wheeler, Kraig A. Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition RSC Adv., 2016, 6, 64921 |
| 1561482 | CIF | Ga5.4 Ta1.6 | P 4/m b m | 9.3213; 9.3213; 2.7572 90; 90; 90 | 239.56 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 1562025 | CIF | Fe0.8 Mn3.2 O12 Pr4 | P n m a | 5.7594; 7.6443; 5.4602 90; 90; 90 | 240.39 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 1562027 | CIF | Fe0.4 Mn3.6 O12 Pr4 | P n m a | 5.7952; 7.6218; 5.4605 90; 90; 90 | 241.19 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 1562029 | CIF | Mn O3 Pr | P n m a | 5.8276; 7.5986; 5.4589 90; 90; 90 | 241.73 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 1562028 | CIF | Mn O3 Pr | P n m a | 5.592; 7.8818; 5.5627 90; 90; 90 | 245.18 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 1562026 | CIF | Fe0.4 Mn3.6 O12 Pr4 | P n m a | 5.5936; 7.8829; 5.5627 90; 90; 90 | 245.28 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 1562024 | CIF | Fe0.8 Mn3.2 O12 Pr4 | P n m a | 5.5947; 7.8851; 5.5634 90; 90; 90 | 245.43 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 7225287 | CIF | C H6 I3 N Pb | P m -3 m | 6.2723; 6.2723; 6.2723 90; 90; 90 | 246.76 | Luan, Mengyu; Song, Junling; Wei, Xiangfeng; Chen, Fang; Liu, Jiehua Controllable growth of bulk cubic-phase CH3NH3PbI3single crystal with exciting room-temperature stability CrystEngComm, 2016, 18, 5257 |
| 1552014 | CIF | O5 Xe2 | P 4/n c c :2 | 4.9826; 4.9826; 9.9548 90; 90; 90 | 247.141 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 2241454 | CIF HKL Paper | Cd Pt2 Sr2 | I m m m | 4.5596; 5.9351; 9.1874 90; 90; 90 | 248.63 | Nawawi, Effendi; Gulo, Fakhili; Köhler, Jürgen Crystal structure of Sr~2~CdPt~2~ containing linear platinum chains Acta Crystallographica Section E, 2016, 72, 144-146 |
| 1548468 | CIF | C H0.378 D5.622 I3 N Pb | P m -3 m | 6.30649; 6.30649; 6.30649 90; 90; 90 | 250.821 | P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide Scientific Reports, 2016, 6, 35685 |
| 7226508 | CIF | C H2 Cl Hg N5 | P 1 21 1 | 5.8459; 6.9731; 6.1725 90; 94.27; 90 | 250.92 | Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands CrystEngComm, 2016, 18, 7865 |
| 7224729 | CIF | C10 H10 Br2 N2 | P -1 | 4.8011; 7.275; 7.759 71.06; 86.46; 78.64 | 251.3 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 1561368 | CIF | Cd0.5 Cu0.25 In0.25 Te | F -4 3 m | 6.34257; 6.34257; 6.34257 90; 90; 90 | 255.15 | Nolas, George S.; Hassan, M. Shafiq; Dong, Yongkwan; Martin, Joshua Synthesis, crystal structure and electrical properties of the tetrahedral quaternary chalcogenides CuM2InTe4 (M=Zn, Cd) Journal of Solid State Chemistry, 2016, 242, 50-54 |
| 1551317 | CIF | C7 H14 N O4 Re | R 3 m :R | 6.36; 6.36; 6.36 89.912; 89.912; 89.912 | 257.26 | Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules Nature Chemistry, 2016, 8, 946-952 |
| 1561460 | CIF | Eu Nb O3 | I m m a | 5.67001; 8.01565; 5.68649 90; 90; 90 | 258.444 | Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa Structural phase transitions in EuNbO3 perovskite Journal of Solid State Chemistry, 2016, 239, 192-199 |
| 1561461 | CIF | Eu Nb O3 | I m m a | 5.68182; 8.03133; 5.6921 90; 90; 90 | 259.745 | Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa Structural phase transitions in EuNbO3 perovskite Journal of Solid State Chemistry, 2016, 239, 192-199 |
| 1561462 | CIF | Eu Nb O3 | I 4/m c m | 5.6869; 5.6869; 8.0514 90; 90; 90 | 260.389 | Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa Structural phase transitions in EuNbO3 perovskite Journal of Solid State Chemistry, 2016, 239, 192-199 |
| 1551318 | CIF | C7 H14 N O4 Re | P m -3 m | 6.3881; 6.3881; 6.3881 90; 90; 90 | 260.68 | Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules Nature Chemistry, 2016, 8, 946-952 |
| 1543917 | CIF | Ca2 Ge3 Pt | P 6/m m m | 8.452; 8.452; 4.2188 90; 90; 120 | 260.999 | Klimczuk, T.; Xie, Weiwei; Winiarski, M.J.; Koziol, R.; Litzbarski, L.S.; Luo, Huixia; Cava, R.J. Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides Journal of Solid State Chemistry, 2016, 243, 95-100 |
| 4513730 | CIF | C8 H16 Cl2 Cr O2 | P -1 | 3.9645; 7.2398; 9.2813 86.918; 79.841; 87.105 | 261.61 | Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M. Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties Crystal Growth & Design, 2016, 16, 189 |
| 1543916 | CIF | Ca2 Ge3 Pd | P 6/m m m | 8.4921; 8.4921; 4.1922 90; 90; 120 | 261.82 | Klimczuk, T.; Xie, Weiwei; Winiarski, M.J.; Koziol, R.; Litzbarski, L.S.; Luo, Huixia; Cava, R.J. Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides Journal of Solid State Chemistry, 2016, 243, 95-100 |
| 7224728 | CIF | C10 H10 Br2 N2 | P -1 | 4.845; 7.453; 7.875 70.89; 86.82; 77.82 | 262.6 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 7224800 | CIF | C8 H6 Br4 | P -1 | 4.3542; 7.3675; 8.714 72.481; 83.722; 84.917 | 264.52 | Näther, Christian; Jess, Inke; Kuś, Piotr; Jones, Peter G. Dimorphism of 1,4-dibromo-2,5-bis(bromomethyl)benzene: crystallographic and physico-chemical investigations CrystEngComm, 2016, 18, 3142 |
| 3500057 | CIF | Al2 As2 Cs2 O9 | P -1 | 7.2333; 8.2043; 5.0263 107.246; 108.268; 95.195 | 264.92 | Lubomir Smrcok; Yvon Laligant; Armel Le Bail Cs2Al2As2O9 solved ab initio from X-ray powder diffraction data in 1998 Personal communication to COD, 2016 |
| 1561414 | CIF | Gd O4 P | P 1 21/n 1 | 6.24937; 6.7397; 6.5189 90; 103.563; 90 | 266.912 | Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A. The structural response of gadolinium phosphate to pressure Journal of Solid State Chemistry, 2016, 241, 180-186 |
| 7119176 | CIF | Mn1.5 N O13 V4 | P 1 2/m 1 | 8.2011; 3.5207; 9.9129 90; 110.987; 90 | 267.234 | Martin K. Dufficy; Lan Luo; Peter S. Fedkiw; Paul A. Maggard Vacancy-induced manganese vanadates and their potential application to Li-ion batteries Chem.Commun., 2016, 52, 7509 |
| 2107637 | CIF Paper | In Mo4 O6 | P 4/m b m | 9.6664; 9.6664; 2.8645 90; 90; 90 | 267.66 | Schultz, Peter; Simon, Arndt; Oeckler, Oliver Modulated crystal structure of InMo~4~O~6~ Acta Crystallographica Section B, 2016, 72, 642-649 |
| 1561413 | CIF | Gd O4 P | P 1 21/n 1 | 6.2683; 6.7632; 6.5466 90; 103.672; 90 | 269.671 | Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A. The structural response of gadolinium phosphate to pressure Journal of Solid State Chemistry, 2016, 241, 180-186 |
| 7224727 | CIF | C10 H10 Br2 N2 | P -1 | 4.874; 7.567; 7.936 70.73; 86.64; 77.47 | 269.7 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 1561485 | CIF | Ga3 O1.5 Ta5 | P 63/m c m | 7.7023; 7.7023; 5.3062 90; 90; 120 | 272.62 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 7223287 | CIF | C13 H7 F4 N O | P 1 | 4.6457; 5.0544; 11.8597 100.967; 92.076; 92.987 | 272.72 | Mondal, Pradip Kumar; Chopra, Deepak Crystal structure landscape of conformationally flexible organo-fluorine compounds CrystEngComm, 2016, 18, 48 |
| 7224726 | CIF | C10 H10 Br2 N2 | P -1 | 4.8839; 7.622; 7.951 70.87; 86.78; 77.39 | 272.8 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 1561412 | CIF | Gd O4 P | P 1 21/n 1 | 6.2979; 6.80019; 6.5923 90; 103.833; 90 | 274.139 | Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A. The structural response of gadolinium phosphate to pressure Journal of Solid State Chemistry, 2016, 241, 180-186 |
| 3500060 | CIF | As2 H8 Na O14 V2 | P -1 | 6.428; 6.4306; 6.9534 91.823; 107.035; 90.076 | 274.66 | Armel Le Bail Na(VO)2(AsO4)2(H20)4 isostructural with the phosphate Na(VO)2(PO4)2(H20)4 Personal communication to COD, 2016 |
| 7224725 | CIF | C10 H10 Br2 N2 | P -1 | 4.8986; 7.6614; 7.989 70.464; 87.005; 77.176 | 275.44 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 7702107 | CIF | C4 H10 Cl3 Nb O S2 | P 1 | 6.7898; 6.9745; 7.2523 108.917; 99.404; 113.677 | 279.93 | Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures. Dalton transactions (Cambridge, England : 2003), 2016, 45, 16262-16274 |
| 1561411 | CIF | Gd O4 P | P 1 21/n 1 | 6.33571; 6.8484; 6.6516 90; 104.023; 90 | 280.008 | Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A. The structural response of gadolinium phosphate to pressure Journal of Solid State Chemistry, 2016, 241, 180-186 |
| 1547817 | CIF | Cr O4 Sr | P 1 21/n 1 | 6.68; 6.881; 6.118 90; 92.33; 90 | 280.982 | Gleissner, J.; Errandonea, D. Monazite-type SrCrO4 under compression Phys. Rev B, 2016, 94, 134108-134108 |
| 4347867 | CIF | H4 N2 Yb | I 41/a m d :1 | 5.19598; 5.19598; 10.4129 90; 90; 90 | 281.13 | Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3. Inorganic chemistry, 2016, 55, 6161-6168 |
| 7226352 | CIF | Co Li O4 P | P n m a | 10.1852; 5.9114; 4.6913 90; 90; 90 | 282.46 | Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries RSC Adv., 2016 |
| 1543899 | CIF | Cr2 Cu O4 | I 41/a m d :2 | 6.0287; 6.0287; 7.7803 90; 90; 90 | 282.777 | Tarantino, Serena C.; Giannini, Mattia; Carpenter, Michael A.; Zema, Michele Cooperative Jahn‒Teller effect and the role of strain in the tetragonal-to-cubic phase transition in Mg<i>~x~</i>Cu~1{ηskip0.16667em~{-}{ηskip0.16667em}<i>x</i>}Cr~2~O~4~ IUCrJ, 2016, 3 |
| 7226350 | CIF | Co Li O4 P | P n m a | 10.193; 5.9188; 4.6959 90; 90; 90 | 283.31 | Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries RSC Adv., 2016 |
| 7226351 | CIF | Co Li O4 P | P n m a | 10.1931; 5.9195; 4.6961 90; 90; 90 | 283.35 | Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries RSC Adv., 2016 |
| 2241733 | CIF HKL Paper | Ge Li2 Mo3 O8 | P 63 m c | 5.7268; 5.7268; 9.9841 90; 90; 120 | 283.57 | Gall, Philippe; Gougeon, Patrick Li~2~GeMo~3~O~8~: a novel reduced molybdenum oxide containing Mo~3~O~13~ cluster units Acta Crystallographica Section E, 2016, 72, 995-997 |
| 2020465 | CIF HKL | C5 H6 N2 O3 | P -1 | 4.874; 7.663; 8.325 66.97; 88.09; 87.07 | 285.7 | Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues Acta Crystallographica Section C, 2016, 72, 379-388 |
| 1561620 | CIF | Se8 U Yb3 | P b c m | 6.9937; 7.4807; 5.4967 90; 90; 90 | 287.575 | Prakash, Jai; Mesbah, Adel; Beard, Jessica C.; Malliakas, Christos D.; Ibers, James A. Syntheses, crystal structures, and resistivities of the two new ternary uranium selenides, Er3USe8 and Yb3USe8 Journal of Solid State Chemistry, 2016, 233, 90-94 |
| 1561619 | CIF | Er3 Se8 U | P b c m | 7.036; 7.5483; 5.4672 90; 90; 90 | 290.362 | Prakash, Jai; Mesbah, Adel; Beard, Jessica C.; Malliakas, Christos D.; Ibers, James A. Syntheses, crystal structures, and resistivities of the two new ternary uranium selenides, Er3USe8 and Yb3USe8 Journal of Solid State Chemistry, 2016, 233, 90-94 |
| 1561531 | CIF | In K S4 Sn | R -3 m :H | 3.698; 3.698; 24.52 90; 90; 120 | 290.4 | Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry, 2016, 238, 291-302 |
| 7039283 | CIF | C6 D12 N2 Pd S4 | P -1 | 6.4754; 7.0391; 7.6797 65.235; 67.183; 84.974 | 291.81 | Poirier, Stéphanie; Tailleur, Elodie; Lynn, Hudson; Reber, Christian Characterization of PdH-C interactions in bis-dimethyldithiocarbamate palladium(ii) and its deuterated analog by luminescence spectroscopy at variable pressure. Dalton transactions (Cambridge, England : 2003), 2016, 45, 10883-10886 |
| 7039284 | CIF | C6 H12 N2 Pd S4 | P -1 | 6.482; 7.034; 7.68 65.47; 66.92; 84.65 | 292.05 | Poirier, Stéphanie; Tailleur, Elodie; Lynn, Hudson; Reber, Christian Characterization of PdH-C interactions in bis-dimethyldithiocarbamate palladium(ii) and its deuterated analog by luminescence spectroscopy at variable pressure. Dalton transactions (Cambridge, England : 2003), 2016, 45, 10883-10886 |
| 2020661 | CIF | H0.5 K1.5 Mg2 O7 Si2 | P 63/m c m | 5.0535; 5.0535; 13.2229 90; 90; 120 | 292.44 | Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J. Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth Acta Crystallographica Section B, 2016, 72, 822-827 |
| 1547818 | CIF | Cr O4 Sr | I 41/a :2 | 4.97; 4.97; 11.844 90; 90; 90 | 292.557 | Gleissner, J.; Errandonea, D. Monazite-type SrCrO4 under compression Phys. Rev B, 2016, 94, 134108-134108 |
| 7236330 | CIF | C4 H8 N10 O8 | P -1 | 5.7692; 7.321; 8.4065 64.804; 87.429; 67.479 | 293.79 | He, Chunlin; Tang, Yongxing; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. N-Oxides light up energetic performances: synthesis and characterization of dinitraminobisfuroxans and their salts Journal of Materials Chemistry A, 2016, 4, 8969 |
| 7041329 | CIF | C4 H2 Gd O6 | P -1 | 6.874; 6.987; 7.449 86.725; 64.422; 67.814 | 296.4 | Liu, Sui-Jun; Cao, Chen; Yao, Shu-Li; Zheng, Teng-Fei; Wang, Zheng-Xiang; Liu, Chao; Liao, Jin-Sheng; Chen, Jing-Lin; Li, Yun-Wu; Wen, He-Rui Temperature- and vapor-induced reversible single-crystal-to-single-crystal transformations of three 2D/3D Gd(III)-organic frameworks exhibiting significant magnetocaloric effects. Dalton transactions (Cambridge, England : 2003), 2016, 46, 64-70 |
| 2311093 | CIF | Hf Na2 O7 Si2 | P -1 | 6.6123; 8.7948; 5.41074 92.603; 94.0843; 71.3262 | 297.249 | Massoni, Nicolas; Pierrick, Chevreux Crystal structure of Na~2~HfSi~2~O~7~ by Rietveld refinement Acta Crystallographica, Section e, 2016, 72, 1434 |
| 1561383 | CIF | Ca Ga1.14 Sn0.86 | P 63/m m c | 4.4233; 4.4233; 17.601 90; 90; 120 | 298.24 | Tillard, Monique A phase width for CaGaSn. Crystal structure of mixed intermetallic Ca4Ga4+xSn4−x and SmGaxSn3−x, stability, geometry and electronic structure Journal of Solid State Chemistry, 2016, 242, 63-70 |
| 1561543 | CIF | Cl Mo Na3 O4 | P 4/n m m :2 | 7.4942; 7.4942; 5.3409 90; 90; 90 | 299.96 | Han, Shujuan; Bai, Chunyan; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo) Journal of Solid State Chemistry, 2016, 237, 14-18 |
| 8106868 | CIF | C10 H10 Br2 N2 Pd | P -1 | 5.6549; 7.021; 7.7723 80.031; 84.601; 89.222 | 302.58 | Ha, Kwang Crystal structure of trans-dibromidodi(pyridine-κN)palladium(II), PdBr2(C5H5N)2 Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 333-334 |
| 1561544 | CIF | Cl Na3 O4 W | P 4/n m m :2 | 7.5181; 7.5181; 5.36 90; 90; 90 | 302.96 | Han, Shujuan; Bai, Chunyan; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo) Journal of Solid State Chemistry, 2016, 237, 14-18 |
| 3500037 | CIF HKL | C4 H5 Na O6 | P 1 21 1 | 5.2467; 7.783; 7.582 90; 101.39; 90 | 303.5 | Armel Le Bail Personal communication to COD, 2016 |
| 7225355 | CIF | C12 H10 O4 S2 | P -1 | 3.9254; 6.0049; 13.818 77.96; 88.838; 72.527 | 303.54 | Muthumari, Subramanian; Ramesh, Rengan Highly efficient palladium(ii) hydrazone based catalysts for the Suzuki coupling reaction in aqueous medium RSC Adv., 2016, 6, 52101 |
| 7223858 | CIF | C6 H4 F8 N2 O6 | P -1 | 5.1438; 6.2912; 9.9448 91.605; 104.35; 101.944 | 303.96 | Dharavath, Srinivas; Ghule, Vikas Synthesis of Nitrate Ester and Nitramine Derivatives of Polyfluoro Alkyl Compounds for High Energy Materials RSC Adv., 2016 |
| 1542919 | CIF HKL | B3 Ba2.76 Eu0.24 O15 P3 | P 31 2 1 | 7.104645; 7.104645; 6.986941 90; 90; 120 | 305.424 | Lina Zhang; Minghao Fang; Zhaohui Huang; Yangai Liu; Xin Min; Hao Tang; Kai Chen; Ming Guan; Maxim S. Molokeev Preparation and Luminescence Properties of the Blue-Emitting Phosphor BaBPO5:Eu2+ Science of Advanced Materials, 2016, 8, 1086-1092 |
| 4125021 | CIF | O14 P2 Sr3 Te Zn3 | P 3 2 1 | 8.2767; 8.2767; 5.1763 90; 90; 120 | 307.09 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 1542970 | CIF | C14 H8 Br2 F2 | P -1 | 4.037; 5.968; 13.092 79.09; 87.09; 85.96 | 308.7 | Zhang, Weifeng; Shi, Keli; Huang, Jianyao; Gao, Dong; Mao, Zupan; Li, Dizao; Yu, Gui Fluorodiphenylethene-Containing Donor‒Acceptor Conjugated Copolymers with Noncovalent Conformational Locks for Efficient Polymer Field-Effect Transistors Macromolecules, 2016, 49, 2582 |
| 4347557 | CIF | C10 H10 F6 N2 O2 | P -1 | 5.7104; 7.3062; 8.2087 109.754; 101.386; 97.169 | 309.1 | Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S. Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films. Inorganic chemistry, 2016, 55, 5422-5429 |
| 7224088 | CIF | C8 H14 Ni O12 | P -1 | 5.142; 7.2793; 9.1121 108.025; 105.191; 92.14 | 310.38 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 7038117 | CIF | Bi0.97 Mo0.07 O4 V0.93 | I 1 2/a 1 | 5.1153; 11.7022; 5.1878 90; 90.244; 90 | 310.54 | Terebilenko, Kateryna V.; Bychkov, Konstantin L.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Pavliuk, Mariia V.; Thapper, Anders; Tokmenko, Inna I.; Nasieka, Iurii M.; Strelchuk, Viktor V. Structural transformation of Bi1-x/3V1-xMoxO4 solid solutions for light-driven water oxidation. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3895-3904 |
| 1547277 | CIF | Fe5.94 Mg1.06 O9 | C 1 2/m 1 | 9.6901; 2.8943; 11.4397 90; 102.045; 90 | 313.77 | Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure Scientific Reports, 2016, 6, 32852 |
| 7224089 | CIF | C8 H14 Co O12 | P -1 | 5.1742; 7.2742; 9.2053 108.809; 105.003; 92.409 | 313.79 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 7224087 | CIF | C8 H14 O12 Zn | P -1 | 5.1749; 7.2736; 9.1901 108.304; 105.213; 92.434 | 313.95 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 1547276 | CIF | Fe7 O9 | C 1 2/m 1 | 9.696; 2.8947; 11.428 90; 101.69; 90 | 314.1 | Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure Scientific Reports, 2016, 6, 32852 |
| 2020507 | CIF HKL Paper | C6 H9 N3 O | P -1 | 6.613; 7.018; 7.078 97.374; 104.521; 92.038 | 314.6 | Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A. Two tautomeric forms of 2-amino-5,6-dimethylpyrimidin-4-one Acta Crystallographica Section C, 2016, 72 |
| 7040528 | CIF | Ca1.33 Er0.07 La0.67 Mo4 Na1.33 O16 Yb0.6 | I 41/a :2 | 5.242071; 5.242071; 11.46775 90; 90; 90 | 315.126 | Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V. Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15541-15551 |
| 2020535 | CIF HKL | B Ge2 Li4 | R 3 m :H | 4.4603; 4.4603; 18.3197 90; 90; 120 | 315.63 | Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Dmytriv, Grygoriy; Ehrenberg, Helmut Li~4~Ge~2~B as a new derivative of the Mo~2~B~5~ and Li~5~Sn~2~ structure types Acta Crystallographica Section C, 2016, 72, 561-565 |
| 4125023 | CIF | O14 P2 Pb3 Te Zn3 | P 3 2 1 | 8.3831; 8.3831; 5.193 90; 90; 120 | 316.05 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 4125025 | CIF | O14 P2 Pb3 W Zn3 | P 3 2 1 | 8.4151; 8.4151; 5.17 90; 90; 120 | 317.06 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 1561426 | CIF | Mo Na0.49 O4 Sm0.51 | I 41/a :2 | 5.256; 5.256; 11.4921 90; 90; 90 | 317.48 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 4348074 | CIF | C F3 N O3 P Zr | P -1 | 5.41026; 5.79443; 10.36215 87.4743; 78.4408; 89.2386 | 317.946 | Taddei, Marco; Sassi, Paola; Costantino, Ferdinando; Vivani, Riccardo Amino-Functionalized Layered Crystalline Zirconium Phosphonates: Synthesis, Crystal Structure, and Spectroscopic Characterization. Inorganic chemistry, 2016, 55, 6278-6285 |
| 7224090 | CIF | C8 H14 Fe O12 | P -1 | 5.2115; 7.3307; 9.2529 109.019; 105.339; 92.53 | 318.98 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 4125024 | CIF | Mg3 O14 P2 Pb3 Te | P 3 2 1 | 8.4072; 8.4072; 5.2158 90; 90; 120 | 319.27 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 1542454 | CIF HKL Paper | C6 H6 Br N | P 1 21/m 1 | 6.1889; 6.614; 7.835 90; 93.503; 90 | 320.11 | Roy, Mrittika; Golen, James A.; Manke, David R. 2-Bromo-5-methylpyridine IUCrData, 2016, 1, x160090 |
| 7040530 | CIF | Ca1.33 Er0.13 La0.93 Mo4 Na1.33 O16 Yb0.27 | I 41/a :2 | 5.26749; 5.26749; 11.53772 90; 90; 90 | 320.131 | Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V. Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15541-15551 |
| 7039066 | CIF | C2 H4 As F6 N | P 1 21 1 | 5.2169; 6.5905; 9.3342 90; 92.267; 90 | 320.68 | Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O. Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions. Dalton transactions (Cambridge, England : 2003), 2016, 45, 8494-8499 |
| 1544461 | CIF | Ce Li O8 W2 | I 41/a | 5.294; 5.294; 11.498 90; 90; 90 | 322.2 | Shimemura, T.; Sawaguchi, N.; Sasaki, M. Synthesis and emission properties of scheelite-type LiCe(WO4)2 Journal of the Ceramic Society of Japan, 2016, 124, 938-942 |
| 7040531 | CIF | Ca1.33 Er0.27 La1.07 Mo4 Na1.33 O16 | I 41/a :2 | 5.28062; 5.28062; 11.57258 90; 90; 90 | 322.701 | Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V. Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15541-15551 |
| 1561427 | CIF | Eu0.6 Mo Na0.4 O4 | I 41/a :2 | 5.2797; 5.2797; 11.5869 90; 90; 90 | 322.99 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 1561425 | CIF | Mo Na0.5 Nd0.5 O4 | I 41/a :2 | 5.2854; 5.2854; 11.5675 90; 90; 90 | 323.14 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 9017354 | CIF | Ca0.968 H4 O8 V1.885 | P -1 | 6.2059; 7.0635; 7.7516 93.166; 96.548; 105.883 | 323.359 | Kobsch, A.; Downs, R. T.; Domanik, K. J. Redetermination of metarossite, CaV5+2O6*2H2O Acta Crystallographica, Section E, 2016, 72, 1280-1284 |
| 2241808 | CIF HKL Paper | Ca H4 O8 V2 | P -1 | 6.2059; 7.0635; 7.7516 93.166; 96.548; 105.883 | 323.36 | Kobsch, Anaïs; Downs, Robert T.; Domanik, Kenneth J. Redetermination of metarossite, CaV^5+^~2~O~6~·2H~2~O Acta Crystallographica Section E, 2016, 72, 1280-1284 |
| 4130071 | CIF | C H6 Br N6 | P 63/m | 7.7196; 7.7196; 6.2784 90; 90; 120 | 324.02 | Mitra, Shouvik; Kandambeth, Sharath; Biswal, Bishnu P.; Khayum M, Abdul; Choudhury, Chandan K.; Mehta, Mihir; Kaur, Gagandeep; Banerjee, Subhrashis; Prabhune, Asmita; Verma, Sandeep; Roy, Sudip; Kharul, Ulhas K.; Banerjee, Rahul Self-Exfoliated Guanidinium-Based Ionic Covalent Organic Nanosheets (iCONs). Journal of the American Chemical Society, 2016, 138, 2823-2828 |
| 7041328 | CIF | C4 H4 Gd O7 | P -1 | 6.831; 7.534; 7.812 98.063; 113.748; 110.792 | 324.6 | Liu, Sui-Jun; Cao, Chen; Yao, Shu-Li; Zheng, Teng-Fei; Wang, Zheng-Xiang; Liu, Chao; Liao, Jin-Sheng; Chen, Jing-Lin; Li, Yun-Wu; Wen, He-Rui Temperature- and vapor-induced reversible single-crystal-to-single-crystal transformations of three 2D/3D Gd(III)-organic frameworks exhibiting significant magnetocaloric effects. Dalton transactions (Cambridge, England : 2003), 2016, 46, 64-70 |
| 7040795 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.0794; 8.6924; 7.7046 90; 107.338; 90 | 324.72 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 7224581 | CIF | C15 H18 N O3 | P 1 | 5.937; 5.9425; 10.0505 105.428; 101.284; 99.757 | 325.87 | Zhang, Ya-Fei; Yin, Shao-Jie; Zhao, Min; Zhang, Jun-Qi; Li, Hai-Yan; Wang, Xingwang Dinuclear Zinc Catalyzed Desymmetric Intramolecular Aldolization: An Enantioselective Construction of Spiro[Cyclohexanone-Oxindole] Derivatives RSC Adv., 2016 |
| 7226951 | CIF | C14 H18 O4 Pd | P -1 | 7.2285; 7.6427; 7.6586 62.479; 67.121; 63.114 | 325.9 | Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H. Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application RSC Adv., 2016, 6, 102557 |
| 1561424 | CIF | Mo Na0.5 O4 Pr0.5 | I 41/a :2 | 5.3009; 5.3009; 11.6089 90; 90; 90 | 326.2 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 7040529 | CIF | Ca1.33 La1.33 Mo4 Na1.33 O16 | I 41/a :2 | 5.29916; 5.29916; 11.62227 90; 90; 90 | 326.366 | Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V. Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15541-15551 |
| 7224091 | CIF | C8 H14 Mn O12 | P -1 | 5.2823; 7.3398; 9.3651 109.765; 105.152; 92.454 | 326.37 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 7040794 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.1849; 7.2517; 8.875 90; 100.857; 90 | 327.72 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 7040798 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.101; 8.673; 7.747 90; 106.933; 90 | 327.9 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 4348578 | CIF | C3 H9 B F3 P | P 1 21/m 1 | 5.838; 9.17; 6.675 90; 113.359; 90 | 328.1 | Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S. Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands. Inorganic chemistry, 2016, 55, 8852-8864 |
| 4125022 | CIF | Ba3 O14 P2 Te Zn3 | P 3 2 1 | 8.4744; 8.4744; 5.2818 90; 90; 120 | 328.5 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 7040797 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.113; 8.672; 7.753 90; 106.996; 90 | 328.8 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 7040800 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.108; 8.677; 7.755 90; 106.812; 90 | 329 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 7040799 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.11; 8.6803; 7.748 90; 106.73; 90 | 329.1 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 1544330 | CIF HKL | Ho0.07 La0.67 Na1.33 O16 Sr1.33 W4 Yb0.6 | I 41/a :2 | 5.3257; 5.3257; 11.62354 90; 90; 90 | 329.679 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 1561423 | CIF | Ce0.51 Mo Na0.49 O4 | I 41/a :2 | 5.3173; 5.3173; 11.6652 90; 90; 90 | 329.82 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 7040796 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.201; 7.356; 8.839 90; 101.169; 90 | 331.8 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 7226833 | CIF | C3 H7 N Ni O6 | P 1 21 1 | 6.306; 8.0599; 7.25 90; 115.6; 90 | 332.3 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 2020389 | CIF HKL | C12 H14 Br2 N2 | P -1 | 5.7608; 6.4257; 9.6848 80.7074; 81.2351; 70.8554 | 332.33 | Rukiah, Mwaffak; Al-Ktaifani, Mahmoud M.; Sabra, Mohammad K. Reaction-path calculations and crystal structures of 1,1'-(ethylene-1,2-diyl)dipyridinium dichloride dihydrate and 1,1'-(ethylene-1,2-diyl)dipyridinium dibromide Acta Crystallographica Section C, 2016, 72 |
| 4125026 | CIF | O14 Pb3 Te V2 Zn3 | P 3 2 1 | 8.608; 8.608; 5.186 90; 90; 120 | 332.8 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 1544329 | CIF HKL | Ho0.13 La0.93 Na1.33 O16 Sr1.33 W4 Yb0.27 | I 41/a :2 | 5.34372; 5.34372; 11.67359 90; 90; 90 | 333.343 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 1561422 | CIF | La0.52 Mo Na0.48 O4 | I 41/a :2 | 5.3414; 5.3414; 11.7393 90; 90; 90 | 334.93 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 1544328 | CIF HKL | Ho0.27 La1.07 Na1.33 O16 Sr1.33 W4 | I 41/a :2 | 5.360174; 5.360174; 11.71105 90; 90; 90 | 336.476 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 7224709 | CIF | C12 H10 Cd O6 P2 | P -1 | 16.1586; 5.60337; 4.46652 119.604; 94.4432; 101.789 | 336.56 | Wilke, Manuel; Batzdorf, Lisa; Fischer, Franziska; Rademann, Klaus; Emmerling, Franziska Cadmium phenylphosphonates: preparation, characterisation and in situ investigation RSC Adv., 2016 |
| 7055713 | CIF | B Gd3 O3 S3 | P -1 | 3.9725; 7.5945; 11.1824 91.402; 91.093; 90.206 | 337.2 | Chi, Yang; Guo, Sheng-Ping; Kong, Hong-Jian; Xue, Huai-Guo Crystal and electronic structures, and optical and magnetic properties of novel rare-earth sulfide borates RE3S3BO3(RE = Sm, Gd) New J. Chem., 2016, 40, 6720 |
| 7118967 | CIF | C7 H3 Cl F2 O | P -1 | 6.859; 7.2006; 8.0365 94.613; 104.275; 115.906 | 337.85 | Dhananjay Dey; Subhrajyoti Bhandary; Abhishek Sirohiwal; Venkatesha R. Hathwar; Deepak Chopra 'Conformational lock' via unusual intramolecular C-F^...^O[double bond, length as m-dash]C and C-H^...^Cl-C parallel dipoles observed in in situ cryocrystallized liquids Chem.Commun., 2016, 52, 7225 |
| 1545547 | CIF | Bi2 O3 | P -4 21 c | 7.7299; 7.7299; 5.6587 90; 90; 90 | 338.115 | Perez-Mezcua, Dulce; Bretos, Inigo; Jimenez, Ricardo; Ricote, Jesus; Jimenez-Rioboo, Rafael J.; Goncalves da Silva, Cosmelina; Chateigner, Daniel; Fuentes-Cobas, Luis; Sirera, Rafael; Calzada, Lourdes M. Photochemical solution processing of films of metastable phases for flexible devices: the beta-Bi2O3 polymorph Scientific Reports, 2016, 6, 39561-39561 |
| 1542920 | CIF HKL | B4 Mn5.64 Ni6.36 O20 | P b a m | 9.1757; 12.3163; 2.9978 90; 90; 90 | 338.78 | Moshkina Evgeniya; Sofronova Svetlana; Veligzhanin Alexey; Molokeev Maxim; Nazarenko Ilya; Eremin Evgeniy; Bezmaternykh Leonard Magnetism and Structure of Ni2MnBO5 ludwigite Journal of Magnetism and Magnetic Materials, 2016, 402, 69-75 |
| 4348338 | CIF | C4 H6 O4 Pb | P 1 21/m 1 | 4.792; 7.148; 10.058 90; 99.48; 90 | 339.81 | Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence. Inorganic chemistry, 2016, 55, 8576-8586 |
| 7039324 | CIF | C3 H3 I N4 O2 | P -1 | 7.0649; 7.2001; 7.8953 70.362; 64.462; 86.027 | 339.95 | Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9684-9688 |
| 1544327 | CIF HKL | La1.33 Na1.33 O16 Sr1.33 W4 | I 41/a :2 | 5.37783; 5.37783; 11.75716 90; 90; 90 | 340.029 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 1547819 | CIF | Cr O4 Sr | P 1 21/n 1 | 7.065; 7.376; 6.741 90; 103.1; 90 | 342.141 | Gleissner, J.; Errandonea, D. Monazite-type SrCrO4 under compression Phys. Rev B, 2016, 94, 134108-134108 |
| 7039788 | CIF | Ba5 Nb4 O15 | P -3 m 1 | 5.7946; 5.7946; 11.7876 90; 90; 120 | 342.77 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12559-12568 |
| 7039792 | CIF | Ba5 O15 Ta4 | P -3 m 1 | 5.7892; 5.7892; 11.8202 90; 90; 120 | 343.078 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12559-12568 |
| 7039789 | CIF | Ba5 Nb3 O15 Ta | P -3 m 1 | 5.79575; 5.79575; 11.7965 90; 90; 120 | 343.165 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12559-12568 |
| 7039790 | CIF | Ba5 Nb2 O15 Ta2 | P -3 m 1 | 5.7947; 5.7947; 11.803 90; 90; 120 | 343.23 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12559-12568 |
| 7039791 | CIF | Ba5 Nb O15 Ta3 | P -3 m 1 | 5.79455; 5.79455; 11.8158 90; 90; 120 | 343.584 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12559-12568 |
| 7055443 | CIF | Al4.68 B8 La2 O22 | P -6 2 m | 4.6149; 4.6149; 18.72 90; 90; 120 | 345.27 | Guo, Shu; Liu, Lijuan; Xia, Mingjun; Wang, Xiaoyang; Bai, Lei; Xu, Bo; Huang, Qian; Chen, Chuangtian Crystal growth, structure and optical properties of a new acentric crystal La2Al4.68B8O22with a short UV absorption edge New J. Chem., 2016, 40, 4870 |
| 4344555 | CIF | Ca2 N O3 P | P n m a | 6.7954; 5.4395; 9.4167 90; 90; 90 | 348.07 | Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type. Inorganic chemistry, 2016, 55, 974-982 |
| 1544460 | CIF | Al7.61 N6.39 O2.61 Si0.39 | P 63/m m c | 3.05831; 3.05831; 42.9942 90; 90; 120 | 348.26 | Nishimine, H.; Suzuki, Y.; Banno, H.; Asaka, T.; Fukuda, K. Disordered crystal structure of 16H-SiAlON, Si3-xAl5+xOxN9-x (x~2.6) Journal of the Ceramic Society of Japan, 2016, 124, 875-880 |
| 9017709 | CIF | Al0.982 Fe1.368 H18 Mg0.27 Mn0.37 O18 P2 Zn0.03 | P -1 | 5.316; 10.62; 7.118 107.33; 111.33; 72.22 | 348.453 | Grey, I. E.; Keck, E.; Mumme, W. G.; Pring, A.; Macrae, C. M.; Glenn, A. M.; Davidson, C. J.; Shanks, F. L.; Mills, S. J. Kummerite, Mn2+Fe3+Al(PO4)2(OH)2*8H2O, a new laueite-group mineral from the Hagendorf Sud pegmatite, Bavaria, with ordering of Al and Fe3+ Mineralogical Magazine, 2016, 80, 1243-1254 |
| 1561357 | CIF | Cl1.5 Cu1.5 O1.5 Te0.5 | P -1 | 6.2477; 6.2509; 9.408 80.674; 75.611; 80.849 | 348.47 | Markovski, Mishel R.; Siidra, Oleg I.; Kayukov, Roman A.; Nazarchuk, Evgeni W. Porous layered and open-framework mixed-valence copper tellurites Journal of Solid State Chemistry, 2016, 243, 215-220 |
| 7225700 | CIF | C2.667 H6 N0.667 O0.667 S1.333 | P 1 | 6.5991; 6.9097; 8.2602 109.839; 95.545; 94.714 | 349.97 | Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M. Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids CrystEngComm, 2016, 18, 5686 |
| 1543233 | CIF HKL Paper | C8 H4 Cl N O2 | P 1 21 1 | 5.6231; 4.993; 12.5145 90; 91.916; 90 | 351.16 | Golen, James A.; Manke, David R. 6-Chloro-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160690 |
| 1551314 | CIF | Fe4 O5 | P 1 21/m 1 (c,2*a+c,b) | 2.861; 9.8123; 12.5425 90; 90; 90 | 352.11 | Sergey V. Ovsyannikov; Maxim Bykov; Elena Bykova; Denis P. Kozlenko; Alexander A. Tsirlin; Alexander E. Karkin; Vladimir V. Shchennikov; Sergey E. Kichanov; Huiyang Gou; Artem M. Abakumov; Ricardo Egoavil; Johan Verbeeck; Catherine McCammon; Vadim Dyadkin; Dmitry Chernyshov; Sander van Smaalen; Leonid S. Dubrovinsky Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation Nature Chemistry, 2016, 8, 501-508 |
| 1542881 | CIF HKL Paper | C7 H5 Br O3 | P -1 | 3.9283; 5.9578; 15.1246 92.925; 90.62; 94.71 | 352.28 | Suchetan, P. A.; Suneetha, V.; Naveen, S.; Lokanath, N. K.; Krishna Murthy, P. 4-Bromo-2-hydroxybenzoic acid IUCrData, 2016, 1, x160325 |
| 7226832 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.1208; 7.1208; 8.0513 90; 90; 120 | 353.55 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 1552015 | CIF | O Xe2 | C 1 2/m 1 | 10.0009; 3.206; 11.0813 90; 93.325; 90 | 354.7 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 9017885 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.97; 7.595; 7.632 90; 118.58; 90 | 354.787 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017884 | CIF | Co0.858 H2 Mg0.142 O5 S | C 1 2/c 1 | 6.963; 7.601; 7.633 90; 118.5; 90 | 355.027 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.14Co0.86 European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017883 | CIF | Co0.509 H2 Mg0.491 O5 S | C 1 2/c 1 | 6.943; 7.614; 7.639 90; 118.33; 90 | 355.461 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.49Co0.51 European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017882 | CIF | Co0.279 H2 Mg0.721 O5 S | C 1 2/c 1 | 6.929; 7.623; 7.641 90; 118.19; 90 | 355.724 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.76Co0.28 European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017881 | CIF | H2 Mg O5 S | C 1 2/c 1 | 6.91; 7.634; 7.643 90; 118; 90 | 355.983 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities European Journal of Mineralogy, 2016, 28, 43-52 |
| 1561624 | CIF | C12 H8 Cl2 Hg N6 | P -1 | 7.171; 7.6105; 7.8242 115.752; 93.948; 107.64 | 356.37 | Saghatforoush, Lotfali; Khoshtarkib, Zeinab; Amani, Vahid; Bakhtiari, Akbar; Hakimi, Mohammad; Keypour, Hassan One-dimensional mercury(II) halide coordination polymers of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine ligand: Synthesis, crystal structure, spectroscopic and DFT studies Journal of Solid State Chemistry, 2016, 233, 311-319 |
| 7226831 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.161; 7.161; 8.0474 90; 90; 120 | 357.38 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 7038683 | CIF | C12 H4 Cl2 F6 N4 | P -1 | 4.7813; 6.6169; 11.691 75.795; 86.893; 88.052 | 357.95 | Kottelat, E.; Ruggi, A.; Zobi, F. Red-light activated photoCORMs of Mn(i) species bearing electron deficient 2,2'-azopyridines. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6920-6927 |
| 2020388 | CIF HKL Paper | C12 H18 Cl2 N2 O2 | P -1 | 5.3844; 7.3682; 9.7405 104.395; 102.234; 97.2263 | 359.25 | Rukiah, Mwaffak; Al-Ktaifani, Mahmoud M.; Sabra, Mohammad K. Reaction-path calculations and crystal structures of 1,1'-(ethylene-1,2-diyl)dipyridinium dichloride dihydrate and 1,1'-(ethylene-1,2-diyl)dipyridinium dibromide Acta Crystallographica Section C, 2016, 72 |
| 7236168 | CIF | C2 H6 N2 O | P 1 21/c 1 | 4.6604; 7.4079; 10.4566 90; 92.007; 90 | 360.78 | Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G. Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities CrystEngComm, 2016, 18, 4772 |
| 7037846 | CIF | C4 H4 N8 O2 | P 1 21/c 1 | 7.581; 6.325; 7.891 90; 107.344; 90 | 361.2 | Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3590-3598 |
| 1543603 | CIF | C8 H14 Cl2 I2 N2 O2 | P -1 | 5.6207; 6.9699; 10.1484 94.689; 105.261; 106.876 | 361.61 | Suponitsky, Kyrill Yu; Burakov, N. I.; Kanibolotsky, Alexander L.; Mikhailov, Vasilii A. Multiple Noncovalent Bonding in Halogen Complexes with Oxygen Organics. I. Tertiary Amides. The journal of physical chemistry. A, 2016, 120, 4179-4190 |
| 1544192 | CIF HKL | C16 H10 N6 O2 | P -1 | 5.1939; 8.0697; 9.1482 106.819; 96.077; 92.804 | 363.69 | Posel, Maciej; Stoeckli-Evans, Helen (<i>E</i>)-<i>N</i>,<i>N</i>'-(1,2-Dicyanoethene-1,2-diyl)dipicolinamide IUCrData, 2016, 1, x161464 |
| 7226257 | CIF | Ga2.4 K2.4 S8 Si1.6 | I 4/m c m | 7.891; 7.891; 5.866 90; 90; 90 | 365.26 | He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses RSC Adv., 2016, 6, 76789 |
| 7226836 | CIF | C3 H7 Fe N O6 | P 1 21 1 | 6.668; 8.298; 7.393 90; 116.64; 90 | 365.6 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 1554044 | CIF | C10 H14 Co N8 O2 | P -1 | 6.4415; 7.3787; 8.5998 105.661; 107.985; 96.254 | 366 | Pal, Pampi; Konar, Saugata; Lama, Prem; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer. The journal of physical chemistry. B, 2016, 120, 6803-6811 |
| 7055524 | CIF | C12 H12 N2 O8 U | P -1 | 5.6911; 7.4024; 9.8667 106.561; 105.897; 99.948 | 368.73 | Gao, Xue; Song, Jian; Sun, Li Xian; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan A family of uranium‒carboxylic acid hybrid materials: synthesis, structure and mixed-dye selective adsorption New J. Chem., 2016, 40, 6077 |
| 7226835 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.26097; 7.26097; 8.0811 90; 90; 120 | 368.969 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 7226121 | CIF HKL | Bi2 Ca | C m c m | 4.697; 17.069; 4.6127 90; 90; 90 | 369.81 | Winiarski, M.J.; Wiendlocha, B.; Golab, S.; Kushwaha, S.K.; Wisniewski, P.; Kaczorowski, D.; Thompson, J.D.; Cava, R.J.; Klimczuk, T. Superconductivity in CaBi2 Physical Chemistry Chemical Physics, 2016, 18, 21737-21745 |
| 7226256 | CIF | Ga2.4 Ge1.6 K2.4 S8 | I 4/m c m | 7.8824; 7.8824; 5.9557 90; 90; 90 | 370.04 | He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses RSC Adv., 2016, 6, 76789 |
| 7040216 | CIF | Fe3.19 Mn0.81 O16 Si2 Sn7 | P -3 m 1 | 6.83663; 6.83663; 9.14429 90; 90; 120 | 370.139 | Allison, M. C.; Avdeev, M.; Schmid, S.; Liu, S.; Söhnel, T; Ling, C. D. Synthesis, structure and geometrically frustrated magnetism of the layered oxide-stannide compounds Fe(Fe3-xMnx)Si2Sn7O16. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9689-9694 |
| 7226834 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.2864; 7.2864; 8.05248 90; 90; 120 | 370.243 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 7039322 | CIF | C3 H3 I2 N3 | P m n 21 | 11.4559; 4.1982; 7.7048 90; 90; 90 | 370.56 | Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9684-9688 |
| 4130729 | CIF | C17 H15 N O4 | P 1 | 6.4718; 7.7276; 7.9956 68.426; 85.638; 87.899 | 370.76 | Huo, Xiaohong; He, Rui; Zhang, Xiao; Zhang, Wanbin An Ir/Zn Dual Catalysis for Enantio- and Diastereodivergent α-Allylation of α-Hydroxyketones. Journal of the American Chemical Society, 2016, 138, 11093-11096 |
| 7039126 | CIF | C10 H10 F2 N2 O8 S2 Ti | P -1 | 4.5768; 8.9162; 10.1236 112.888; 95.196; 98.706 | 371.11 | Marshall, Kayleigh L.; Wang, Qianlong; Sullivan, Hannah S. I.; Weller, Mark T. Synthesis and structural characterisation of transition metal fluoride sulfates. Dalton transactions (Cambridge, England : 2003), 2016, 45, 8854-8861 |
| 3500045 | CIF | F6 K2 Zr | P 4/n m m :2 | 6.33605; 6.33605; 9.29458 90; 90; 90 | 373.136 | Lubomir Smrcok; Armel Le Bail; Miroslav Boca Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT Personal communication to COD, 2016 |
| 7236131 | CIF | C16 H16 Ge2 O4 | P -1 | 5.04; 5.7142; 13.393 78.607; 81.131; 89.16 | 373.54 | Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries Journal of Materials Chemistry A, 2016, 4, 2705 |
| 1553299 | CIF | C14 H22 O6 | P 1 | 6.3082; 7.5108; 8.11 88.911; 85.044; 77.888 | 374.29 | Liu, Shuai; Dai, Haofu; Makhloufi, Gamall; Heering, Christian; Janiak, Christoph; Hartmann, Rudolf; Mándi, Attila; Kurtán, Tibor; Müller, Werner E G; Kassack, Matthias U.; Lin, Wenhan; Liu, Zhen; Proksch, Peter Cytotoxic 14-Membered Macrolides from a Mangrove-Derived Endophytic Fungus, Pestalotiopsis microspora. Journal of natural products, 2016, 79, 2332-2340 |
| 7037879 | CIF | C6 H6 O6 Zn | C 1 2/m 1 | 6.7149; 7.7544; 7.8421 90; 113.45; 90 | 374.61 | Abrahams, Brendan F.; Dharma, A. David; Dyett, Brendan; Hudson, Timothy A.; Maynard-Casely, Helen; Kingsbury, Christopher J.; McCormick, Laura J.; Robson, Richard; Sutton, Ashley L.; White, Keith F. An indirect generation of 1D M(II)-2,5-dihydroxybenzoquinone coordination polymers, their structural rearrangements and generation of materials with a high affinity for H2, CO2 and CH4. Dalton transactions (Cambridge, England : 2003), 2016, 45, 1339-1344 |
| 1561625 | CIF | C12 H8 Br2 Hg N6 | P -1 | 7.366; 7.6676; 7.8964 115.26; 93.94; 107.423 | 374.73 | Saghatforoush, Lotfali; Khoshtarkib, Zeinab; Amani, Vahid; Bakhtiari, Akbar; Hakimi, Mohammad; Keypour, Hassan One-dimensional mercury(II) halide coordination polymers of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine ligand: Synthesis, crystal structure, spectroscopic and DFT studies Journal of Solid State Chemistry, 2016, 233, 311-319 |
| 4129973 | CIF | C6 H2 F I N2 S | P -1 | 7.1942; 7.6321; 8.348 70.391; 67.906; 65.029 | 376.38 | Shi, Qinqin; Zhang, Siyuan; Zhang, Junxiang; Oswald, Victoria F.; Amassian, Aram; Marder, Seth R.; Blakey, Simon B. KO(t)Bu-Initiated Aryl C-H Iodination: A Powerful Tool for the Synthesis of High Electron Affinity Compounds. Journal of the American Chemical Society, 2016, 138, 3946-3949 |
| 7223842 | CIF | C10 H18 O2 Pd S4 | P -1 | 6.0243; 8.0461; 8.9366 111.05; 99.851; 103.836 | 376.42 | Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials CrystEngComm, 2016, 18, 1105 |
| 7037878 | CIF | C6 H6 Mg O6 | C 1 2/m 1 | 6.8276; 7.6461; 7.8635 90; 112.777; 90 | 378.5 | Abrahams, Brendan F.; Dharma, A. David; Dyett, Brendan; Hudson, Timothy A.; Maynard-Casely, Helen; Kingsbury, Christopher J.; McCormick, Laura J.; Robson, Richard; Sutton, Ashley L.; White, Keith F. An indirect generation of 1D M(II)-2,5-dihydroxybenzoquinone coordination polymers, their structural rearrangements and generation of materials with a high affinity for H2, CO2 and CH4. Dalton transactions (Cambridge, England : 2003), 2016, 45, 1339-1344 |
| 7225338 | CIF | C10 H18 Cd N4 O8 | P -1 | 7.2694; 7.2818; 8.2989 111.267; 109.883; 91.968 | 378.69 | Liu, Qi; Liu, Jing; Cheng, Mei-Ling; Yu, Lili; Chen, Sheng-Chun; Shao, Yongliang; Zhai, Changwei; Yin, Fengxiang Three Metal Complexes Derived from 3-Methyl-1H-Pyrazole-4-Carboxylic Acid: Synthesis, Crystal Structures, Luminescence and Electrocatalytic Properties RSC Adv., 2016 |
| 7223841 | CIF | C10 H18 O2 Pd S4 | P -1 | 5.7038; 6.7822; 10.5967 72.42; 78.467; 79.852 | 379.94 | Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials CrystEngComm, 2016, 18, 1105 |
| 7225135 | CIF | C4 H8 Cu F6 O12 S2 | P -1 | 5.4169; 6.2821; 11.269 88.143; 84.561; 87.54 | 381.25 | Zhao, Gang; Wu, Hao; Xiao, Zhiwei; Chen, Qing-Yun; Liu, Chao Trifluoromethylation of Haloarenes with a New Trifluoromethylating Reagent Cu(O2CCF2SO2F)2 RSC Adv., 2016 |
| 4347951 | CIF | C10 H9 Cu I N | P -1 | 4.1218; 9.405; 10.003 89.531; 87.567; 80.085 | 381.64 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7039010 | CIF | C8 H4 Ba O6 | P -1 | 7.3881; 7.43; 8.0377 69.771; 67.998; 79.288 | 383.05 | Wang, Ze-Ping; Hu, Bing; Qi, Xing-Hui; Shen, Nan-Nan; Huang, Xiao-Ying Microwave-assisted ionothermal synthesis of a water-stable Eu-coordination polymer: a Ba(2+) ion detector and fluorescence thermometer. Dalton transactions (Cambridge, England : 2003), 2016, 45, 8745-8752 |
| 4344870 | CIF | Ca Cu2.79 Fe4.21 O12 | P n -3 :2 | 7.26256; 7.26256; 7.26256 90; 90; 90 | 383.062 | Yamada, Ikuya; Murakami, Makoto; Hayashi, Naoaki; Mori, Shigeo Inverse Charge Transfer in the Quadruple Perovskite CaCu3Fe4O12. Inorganic chemistry, 2016, 55, 1715-1719 |
| 7038998 | CIF | C4 H12 Co Na2 O16 | P -1 | 6.7969; 6.9292; 8.8126 86.786; 67.652; 89.192 | 383.26 | Saritha, A.; Raju, B.; Narsimhulu, M.; Rao, D. Narayana; Raghavaiah, P.; Hussain, K. A. A novel blue luminescent material Na2[Co(C2O4)2(H2O)2]·6H2O: synthesis, structure, luminescence and magnetic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 8500-8505 |
| 2241768 | CIF HKL Paper | C7 H7 N5 O3 | P -1 | 6.8925; 7.6352; 8.0605 95.063; 105.135; 107.647 | 383.69 | Guo, Wei; Li, Cheng-Xun; Lv, Jie; Wang, Jing Crystal structure of 6,7-dihydroxy-6,7-dihydro-3<i>H</i>-imidazo[1,2-<i>a</i>]purin-9(5<i>H</i>)-one Acta Crystallographica Section E, 2016, 72, 1147-1149 |
| 7125072 | CIF | C5 H12 N O P | P 1 21/m 1 | 5.941; 7.4092; 8.8324 90; 99.184; 90 | 383.8 | Jost, Maximilian; Finger, Lars H.; Sundermeyer, Jörg; von Hänisch, Carsten Simple access to ionic liquids and organic salts containing the phosphaethynolate (PCO(-)) and Zintl (Sb11(3-)) anions. Chemical communications (Cambridge, England), 2016, 52, 11646-11648 |
| 4347950 | CIF | C10 H9 Cu I N | P -1 | 4.1322; 9.4165; 10.0257 89.417; 87.462; 80.013 | 383.82 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 4036660 | CIF | C6 H6 N O5 P | P -1 | 7.462; 7.805; 8.031 68.53; 63.42; 88.31 | 384.2 | Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł Structural Analogues of Selfotel. The Journal of organic chemistry, 2016, 81, 4947-4954 |
| 4036649 | CIF | C8 H10 N2 | P -1 | 4.1693; 8.687; 10.729 95.442; 90.247; 95.864 | 384.78 | Kerisit, Nicolas; Rouxel, Cédric; Colombel-Rouen, Sophie; Toupet, Loïc; Guillemin, Jean-Claude; Trolez, Yann Synthesis, Chemistry, and Photochemistry of Methylcyanobutadiyne in the Context of Space Science. The Journal of organic chemistry, 2016, 81, 3560-3567 |
| 4347949 | CIF | C10 H9 Cu I N | P -1 | 4.1436; 9.432; 10.0405 89.342; 87.41; 80.047 | 386.1 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 2241547 | CIF HKL Paper | H Mn O9 Pb2 V2 | P 1 21/m 1 | 7.6492; 6.1262; 8.9241 90; 112.195; 90 | 387.202 | Lafuente, Barbara; Downs, Robert T. Redetermination of brackebuschite, Pb~2~Mn^3+^(VO~4~)~2~(OH) Acta Crystallographica Section E, 2016, 72, 293-296 |
| 9017352 | CIF | As0.02 Fe0.09 H Mn0.82 O9 Pb2 V1.98 Zn0.09 | P 1 21/m 1 | 7.6492; 6.1262; 8.9241 90; 112.195; 90 | 387.202 | Lafuente, B.; Downs, R. T. Redetermination of brackebuschite, Pb2Mn3+(VO4)2(OH) Acta Crystallographica, Section E, 2016, 72, 293-296 |
| 7038746 | CIF | H Mn O9 Pb2 V2 | P 1 21/m 1 | 7.672; 6.168; 8.781 90; 111.232; 90 | 387.3 | Zhang, Suyun; Xiang, Hongping; Guo, Wenbin; Tang, Yingying; Cui, Meiyan; He, Zhangzhen Synthesis, characterization, and mechanism analysis of S = 2 quasi-one-dimensional ferromagnetic semiconductor Pb2Mn(VO4)2(OH). Dalton transactions (Cambridge, England : 2003), 2016, 45, 7022-7027 |
| 7039325 | CIF | C4 H5 I N4 O2 | P -1 | 6.9327; 7.2485; 8.5638 77.511; 67.263; 83.499 | 387.3 | Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9684-9688 |
| 4344869 | CIF | Ca Cu2.79 Fe4.21 O12 | I m -3 | 7.29481; 7.29481; 7.29481 90; 90; 90 | 388.188 | Yamada, Ikuya; Murakami, Makoto; Hayashi, Naoaki; Mori, Shigeo Inverse Charge Transfer in the Quadruple Perovskite CaCu3Fe4O12. Inorganic chemistry, 2016, 55, 1715-1719 |
| 7038866 | CIF | C5 H4 Cl N O S Sn | P -1 | 5.9142; 7.4252; 9.479 79.27; 72.376; 82.595 | 388.62 | Karwasara, Surendar; Jha, Chandan Kumar; Sinhababu, Soumen; Nagendran, Selvarajan O,S-Heterocyclic stannylenes: synthesis and reactivity. Dalton transactions (Cambridge, England : 2003), 2016, 45, 7200-7204 |
| 2108019 | CIF HKL | H O4 Rb S | P 1 21/c 1 | 7.3202; 7.765; 7.3247 90; 110.938; 90 | 388.85 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 4344559 | CIF | N O3 P Sr2 | P n m a | 7.1397; 5.5649; 9.7903 90; 90; 90 | 388.99 | Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type. Inorganic chemistry, 2016, 55, 974-982 |
| 7040825 | CIF | C6 H7 Cu O4 P | P m n 21 | 5.65908; 14.3406; 4.79644 90; 90; 90 | 389.25 | Wilke, Manuel; Kabelitz, Anke; Gorelik, Tatiana E.; Buzanich, Ana Guilherme; Reinholz, Uwe; Kolb, Ute; Rademann, Klaus; Emmerling, Franziska The crystallisation of copper(ii) phenylphosphonates. Dalton transactions (Cambridge, England : 2003), 2016, 45, 17453-17463 |
| 4347948 | CIF | C10 H9 Cu I N | P -1 | 4.1523; 9.453; 10.086 89.285; 87.14; 80.077 | 389.48 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 4344554 | CIF | N O3 P Sr2 | P n m a | 7.1421; 5.5677; 9.7964 90; 90; 90 | 389.55 | Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type. Inorganic chemistry, 2016, 55, 974-982 |
| 7039273 | CIF | Eu2 H4 Na2 O18 Si6 | P -1 | 7.056; 7.075; 8.029 102.381; 95.387; 90.552 | 389.6 | Liu, Wei; Ji, Ying; Wang, Ying; Sun, Qiushi; Zhao, Xudong; Liu, Xiaoyang; Jia, Xiaopeng Synthesis, crystal structure, and luminescence properties of a new europium silicate. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9631-9635 |
| 7224682 | CIF HKL | Eu0.13 O16 Si4 Sr7.89 | P n m a | 7.075148; 5.664368; 9.73139 90; 90; 90 | 389.998 | Zhiguo Xia; Shihai Miao; Maxim S. Molokeev; Mingyue Chen; Quanlin Liu Structure and luminescence properties of Eu2+ doped LuxSr2-xSiNxO4-x phosphors evolved from chemical unit cosubstitution Journal of Materials Chemistry C, 2016, 4, 1336-1344 |
| 4344557 | CIF | N O3 P Sr2 | P n m a | 7.1433; 5.5711; 9.8 90; 90; 90 | 390 | Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type. Inorganic chemistry, 2016, 55, 974-982 |
| 7224683 | CIF HKL | Eu0.12 Lu0.02 O16 Si4 Sr7.86 | P n m a | 7.073702; 5.667776; 9.73626 90; 90; 90 | 390.348 | Zhiguo Xia; Shihai Miao; Maxim S. Molokeev; Mingyue Chen; Quanlin Liu Structure and luminescence properties of Eu2+ doped LuxSr2-xSiNxO4-x phosphors evolved from chemical unit cosubstitution Journal of Materials Chemistry C, 2016, 4, 1336-1344 |
| 4344558 | CIF | N O3 P Sr2 | P n m a | 7.1482; 5.5745; 9.8061 90; 90; 90 | 390.75 | Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type. Inorganic chemistry, 2016, 55, 974-982 |
| 4125285 | CIF | B Bi3 O9 Te | P 63 | 8.751; 8.751; 5.8981 90; 90; 120 | 391.16 | Xia, Mingjun; Jiang, Xingxing; Lin, Zheshuai; Li, Rukang "All-Three-in-One": A New Bismuth-Tellurium-Borate Bi3TeBO9 Exhibiting Strong Second Harmonic Generation Response. Journal of the American Chemical Society, 2016, 138, 14190-14193 |
| 4344556 | CIF | N O3 P Sr2 | P n m a | 7.1519; 5.5778; 9.8132 90; 90; 90 | 391.47 | Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type. Inorganic chemistry, 2016, 55, 974-982 |
| 7236167 | CIF | C2 H6 N2 O | P 1 21/c 1 | 4.6147; 6.5781; 12.9004 90; 90.418; 90 | 391.59 | Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G. Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities CrystEngComm, 2016, 18, 4772 |
| 2300614 | CIF HKL | Ba2 Co Ge2 O7 | P -4 21 m | 8.392; 8.392; 5.561 90; 90; 90 | 391.64 | Sazonov, Andrew; Meven, Martin; Roth, Georg; Georgii, Robert; Kézsmárki, István; Kocsis, Vilmos; Tokunaga, Yusuke; Taguchi, Yasujiro; Tokura, Yoshinori; Hutanu, Vladimir Origin of forbidden reflections in multiferroic Ba~2~CoGe~2~O~7~ by neutron diffraction: symmetry lowering or Renninger effect? Journal of Applied Crystallography, 2016, 49, 556-560 |
| 4347947 | CIF | C10 H9 Cu I N | P -1 | 4.1662; 9.4691; 10.1154 89.167; 87.104; 79.977 | 392.46 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 1542288 | CIF | Fe2 O9 Se3 | P 63/m | 7.872; 7.872; 7.3258 90; 90; 120 | 393.15 | Kovrugin, Vadim M.; Gordon, Elijah E.; Kasapbasi, Esra E.; Whangbo, Myung-Hwan; Colmont, Marie; Siidra, Oleg I.; Colis, Silviu; Krivovichev, Sergey V.; Mentré, Olivier Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)2‒Versus (SeO3)2‒Building Units in Solids The Journal of Physical Chemistry C, 2016, 120, 1650 |
| 4130305 | CIF | C19 H21 N O3 | P 1 | 6.7858; 7.7709; 8.1797 112.386; 91.911; 96.499 | 394.89 | Hayashi, Masaki; Bachman, Shoshana; Hashimoto, Satoshi; Eichman, Chad C.; Stoltz, Brian M. Ni-Catalyzed Enantioselective C-Acylation of α-Substituted Lactams. Journal of the American Chemical Society, 2016, 138, 8997-9000 |
| 4347946 | CIF | C10 H9 Cu I N | P -1 | 4.1769; 9.4845; 10.1521 89.116; 86.774; 80.153 | 395.62 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7041327 | CIF | C4 H6 Gd O8 | P -1 | 7.4211; 7.835; 8.56 111.251; 98.87; 114.089 | 395.88 | Liu, Sui-Jun; Cao, Chen; Yao, Shu-Li; Zheng, Teng-Fei; Wang, Zheng-Xiang; Liu, Chao; Liao, Jin-Sheng; Chen, Jing-Lin; Li, Yun-Wu; Wen, He-Rui Temperature- and vapor-induced reversible single-crystal-to-single-crystal transformations of three 2D/3D Gd(III)-organic frameworks exhibiting significant magnetocaloric effects. Dalton transactions (Cambridge, England : 2003), 2016, 46, 64-70 |
| 7224138 | CIF | Al Li3 O5 Si | P n a 21 | 5.331; 15.551; 4.782 90; 90; 90 | 396.4 | Chen, Xinglong; Zhang, Fangfang; Liu, Lili; Lei, Bing-Hua; Dong, Xiaoyu; Yang, Zhihua; Li, Hongyi; Pan, Shilie Li3AlSiO5: the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure. Physical chemistry chemical physics : PCCP, 2016, 18, 4362-4369 |
| 4130017 | CIF | C4 H4 Cu N4 O6 | P m n a | 6.70122; 5.11854; 11.63508 90; 90; 90 | 399.089 | Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets. Journal of the American Chemical Society, 2016, 138, 2280-2291 |
| 7155208 | CIF | C7 H3 Br F N O3 | P 1 21 1 | 4.9191; 6.2146; 13.1151 90; 95.211; 90 | 399.27 | Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors. Organic & biomolecular chemistry, 2016, 14, 8246-8252 |
| 7222921 | CIF | C6 H10 F N O4 | P -1 | 6.5648; 6.6759; 9.6206 98.163; 100.929; 101.047 | 399.3 | Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy Green Chem., 2016, 18, 1313 |
| 7037483 | CIF | Bi2 Cr Fe3 O9 | P b a m | 7.95579; 8.39146; 5.98242 90; 90; 90 | 399.391 | Rozova, M. G.; Grigoriev, V. V.; Bobrikov, I. A.; Filimonov, D. S.; Zakharov, K. V.; Volkova, O. S.; Vasiliev, A. N.; Antipov, E. V.; Tsirlin, A. A.; Abakumov, A. M. Synthesis, structure and magnetic ordering of the mullite-type Bi2Fe4-xCrxO9 solid solutions with a frustrated pentagonal Cairo lattice. Dalton transactions (Cambridge, England : 2003), 2016, 45, 1192-1200 |
| 2241839 | CIF HKL Paper | C10 H8 O2 | P -1 | 6.9725; 7.3174; 8.9189 69.241; 79.975; 70.127 | 399.422 | Hübscher, Jörg; Rosin, Robert; Seichter, Wilhelm; Weber, Edwin Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3,3-dimethyl-1-propynyl)phenol Acta Crystallographica Section E, 2016, 72, 1370-1373 |
| 4347945 | CIF | C10 H9 Cu I N | P -1 | 4.1925; 9.515; 10.199 89.023; 86.675; 80.109 | 400.12 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7225140 | CIF | C10 H18 N12 O4 | P -1 | 5.386; 7.2676; 11.1149 106.362; 92.344; 104.613 | 401 | Shang, Yu; Jin, Bo; Peng, Ru-Fang; Guo, Zhicheng; Liu, Qiangqiang; Zhao, Jun; Zhang, Qingchun Nitrogen-rich Energetic Salts of 1H,1′H-5,5′-Bistetrazole-1,1′-diolate: Synthesis, Characterization, and Thermal Behaviors RSC Adv., 2016 |
| 7038377 | CIF | F7 Ge N3 | P 4/m b m | 8.21714; 8.21714; 5.93902 90; 90; 90 | 401.011 | Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Misyul, S. V. A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization. Dalton transactions (Cambridge, England : 2003), 2016, 45, 5321-5327 |
| 1543547 | CIF | Ba O4 Te | P 1 21/n 1 | 5.9083; 5.0195; 13.538 90; 92.715; 90 | 401.04 | Matthias Weila; Berthold Stogera; Christian Gierl-Mayerb; Eugen Libowitzkyc Structural insights into the thermal decomposition sequence of barium tetrahydrogenorthotellurate(VI), Ba[H4TeO6] Journal of Solid State Chemistry, 2016, 241, 187-197 |
| 7039323 | CIF | C4 H5 I2 N3 | P -1 | 7.274; 7.508; 7.98 84.239; 83.37; 68.174 | 401.1 | Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9684-9688 |
| 4036645 | CIF | C8 H8 O S2 | P -1 | 6.8851; 7.9251; 8.1801 85.683; 89.92; 64.419 | 401.21 | Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J. Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination. The Journal of organic chemistry, 2016, 81, 3214-3226 |
| 1543229 | CIF HKL | C8 H4 I N O2 | P -1 | 6.4152; 7.5089; 8.9546 110.162; 96.12; 91.997 | 401.43 | Golen, James A.; Manke, David R. 6-Iodo-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160700 |
| 7119153 | CIF | C2 H6 Cd | P 1 21/n 1 | 7.483; 7.711; 7.734 90; 115.85; 90 | 401.6 | Hanke, Felix; Hindley, Sarah; Jones, Anthony C.; Steiner, Alexander The solid state structures of the high and low temperature phases of dimethylcadmium Chemical Communications, 2016, 52, 10144 |
| 7041098 | CIF | C4 H6 N4 O7 | P -1 | 6.1081; 7.5366; 8.8543 80.728; 87.505; 88.355 | 401.8 | Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C. Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18909-18920 |
| 4347944 | CIF | C10 H9 Cu I N | P -1 | 4.2027; 9.5344; 10.2292 88.945; 86.478; 80.055 | 402.95 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 1542478 | CIF HKL Paper | Ba5.78 Cl2 F12 Pb1.22 | P -6 | 10.5878; 10.5878; 4.1528 90; 90; 120 | 403.17 | Weil, Matthias The solid solution Ba~5.78~Pb~1.22~F~12~Cl~2~ IUCrData, 2016, 1, x152427 |
| 4349115 | CIF | C8 H3 F Fe N6 O0.5 Pt | P 1 2/m 1 | 7.2782; 7.5613; 7.482 90; 101.494; 90 | 403.5 | Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine. Inorganic chemistry, 2016, 55, 10654-10665 |
| 4036771 | CIF | C13 H25 Br O4 | P 1 | 6.0963; 8.7014; 8.705 66.516; 73.36; 87.831 | 404.25 | Malassis, Julien; Bartlett, Nathan; Hands, Kane; Selby, Matthew D.; Linclau, Bruno Total Synthesis of (-)-Luminacin D. The Journal of organic chemistry, 2016, 81, 3818-3837 |
| 7154955 | CIF | C8 H7 N3 O2 | P -1 | 5.7205; 7.824; 9.811 72.891; 85.142; 74.695 | 404.78 | Patel, Shyam Sunder; Chandna, Nisha; Kumar, Shreemoyee; Jain, Nidhi I2 mediated synthesis of 5-substituted-3-methyl/benzyl-1,3,4-oxadiazol-2(3H)-ones via sequential condensation/oxidative cyclization and rearrangement. Organic & biomolecular chemistry, 2016, 14, 5683-5689 |
| 7224638 | CIF | C10 H15 F | P -4 21 c | 6.7776; 6.7776; 8.8235 90; 90; 90 | 405.32 | Ben Hassine, B.; Negrier, Ph; Romanini, M.; Barrio, M.; Macovez, R.; Kallel, A.; Mondieig, D.; Tamarit, J. Ll Structure and reorientational dynamics of 1-F-adamantane. Physical chemistry chemical physics : PCCP, 2016, 18, 10924-10930 |
| 4347943 | CIF | C10 H9 Cu I N | P -1 | 4.2128; 9.5476; 10.2634 88.839; 86.36; 80.045 | 405.76 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7118599 | CIF | C21 H19 P | P 1 | 5.6674; 8.267; 9.097 101.836; 101.813; 92.712 | 406.5 | Itazaki, Masumi; Katsube, Shinya; Kamitani, Masahiro; Nakazawa, Hiroshi Synthesis of vinylphosphines and unsymmetric diphosphines: iron-catalyzed selective hydrophosphination reaction of alkynes and vinylphosphines with secondary phosphines. Chemical communications (Cambridge, England), 2016, 52, 3163-3166 |
| 7055154 | CIF | C8 H22 N8 Ni O10 | P -1 | 6.881; 7.283; 9.541 105.601; 102.526; 109.834 | 407.4 | Selvakumar, Rajendran; Geib, Steven J.; Premkumar, Thathan; Vairam, Sundararajan; Govindarajan, Subbiah Isomorphic metal malonates with N-aminoguanidine: MCo2O4(M = Ni & Zn) nanoparticle synthesis via a (AmgH)2[M1/3Co2/3(mal)2(H2O)2] precursor solid solution New J. Chem., 2016, 40, 257 |
| 4347942 | CIF | C10 H9 Cu I N | P -1 | 4.2218; 9.5636; 10.291 88.815; 86.218; 80.014 | 408.3 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7226254 | CIF | Ga2.4 Ge1.6 K2.4 Se8 | I 4/m c m | 8.1208; 8.1208; 6.208 90; 90; 90 | 409.4 | He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses RSC Adv., 2016, 6, 76789 |
| 7037890 | CIF | Ba Cu0.5 O4.5 P | P 1 21/m 1 | 8.328; 5.868; 9.078 90; 112.571; 90 | 409.7 | Yang, Ming; Cui, Meiyan; Zhang, Suyun; Xiang, Hongping; Guo, Wenbin; He, Zhangzhen Two S = 1/2 one-dimensional barium copper phosphates showing antiferromagnetic and ferromagnetic intrachain interactions. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3319-3326 |
| 7226124 | CIF | C7 H7 I N2 O | P 1 21 1 | 4.6211; 5.2775; 16.932 90; 96.344; 90 | 410.41 | Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G. The impact of modular substitution on crystal packing: the tale of two ureas CrystEngComm, 2016, 18, 7078 |
| 1542289 | CIF | Fe2 H3 O9 P3 | P 63/m | 8.0195; 8.0195; 7.37 90; 90; 120 | 410.481 | Kovrugin, Vadim M.; Gordon, Elijah E.; Kasapbasi, Esra E.; Whangbo, Myung-Hwan; Colmont, Marie; Siidra, Oleg I.; Colis, Silviu; Krivovichev, Sergey V.; Mentré, Olivier Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)2‒Versus (SeO3)2‒Building Units in Solids The Journal of Physical Chemistry C, 2016, 120, 1650 |
| 7055155 | CIF | C8 H22 Co0.5 N8 Ni0.5 O10 | P -1 | 6.9096; 7.3355; 9.5299 105.577; 102.494; 110.156 | 410.52 | Selvakumar, Rajendran; Geib, Steven J.; Premkumar, Thathan; Vairam, Sundararajan; Govindarajan, Subbiah Isomorphic metal malonates with N-aminoguanidine: MCo2O4(M = Ni & Zn) nanoparticle synthesis via a (AmgH)2[M1/3Co2/3(mal)2(H2O)2] precursor solid solution New J. Chem., 2016, 40, 257 |
| 7224795 | CIF | C10 H14 N2 O | P -1 | 10.027; 7.0054; 6.5581 116.173; 94.86; 90.02 | 411.6 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 4347941 | CIF | C10 H9 Cu I N | P -1 | 4.237; 9.592; 10.329 88.78; 86.13; 80.001 | 412.45 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7055153 | CIF | C8 H22 Co N8 O10 | P -1 | 6.9244; 7.3583; 9.5353 105.537; 102.545; 110.219 | 412.65 | Selvakumar, Rajendran; Geib, Steven J.; Premkumar, Thathan; Vairam, Sundararajan; Govindarajan, Subbiah Isomorphic metal malonates with N-aminoguanidine: MCo2O4(M = Ni & Zn) nanoparticle synthesis via a (AmgH)2[M1/3Co2/3(mal)2(H2O)2] precursor solid solution New J. Chem., 2016, 40, 257 |
| 7226255 | CIF | Ga2.4 K2.4 Se8 Si1.6 | I 4/m c m | 8.1999; 8.1999; 6.146 90; 90; 90 | 413.25 | He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses RSC Adv., 2016, 6, 76789 |
| 7155013 | CIF | C9 H5 Cl N2 O2 | P -1 | 6.6155; 7.022; 9.6435 82.132; 76.879; 71.863 | 413.54 | Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation. Organic & biomolecular chemistry, 2016, 14, 3459-3468 |
| 1542542 | CIF HKL Paper | C16 H22 N2 O7 | P 1 | 6.778; 6.953; 9.458 109.182; 93.369; 98.437 | 413.7 | Numata, Takashi; Ikenomoto, Shun; Akitsu, Takashiro 4,4'-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate IUCrData, 2016, 1, x160252 |
| 7224794 | CIF | C10 H14 N2 O | P -1 | 10.007; 7.0202; 6.5889 115.903; 94.821; 90.068 | 414.53 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 7226634 | CIF | C16 H20 Cd N4 O4 | P -1 | 5.1689; 8.3362; 9.9402 102.695; 95.013; 93.047 | 415.09 | Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities CrystEngComm, 2016, 18, 8309 |
| 7155012 | CIF | C9 H5 Cl N2 O2 | P -1 | 4.6985; 9.6719; 9.8461 111.248; 92.409; 91.899 | 416.09 | Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation. Organic & biomolecular chemistry, 2016, 14, 3459-3468 |
| 1561379 | CIF | Er0.341 Ga2.005 Pt0.75 | C 1 2/m 1 | 7.4879; 4.3204; 13.106 90; 101.01; 90 | 416.18 | Oswald, Iain W.H.; Gourdon, Olivier; Bekins, Amy; Evans, Jess; Treadwell, LaRico J.; Chan, Julia Y.; Macaluso, Robin T. Er1.33Pt3Ga8: A modulated variant of the Er4Pt9Al24-structure type Journal of Solid State Chemistry, 2016, 242, 161-167 |
| 7227107 | CIF | C3 H8 Fe N2 O6 | P 63 | 7.946; 7.946; 7.618 90; 90; 120 | 416.6 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7039069 | CIF | C4 H8 As F6 N | P -1 | 6.0657; 8.0332; 8.9481 94.12; 105.177; 94.836 | 417.3 | Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O. Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions. Dalton transactions (Cambridge, England : 2003), 2016, 45, 8494-8499 |
| 4347940 | CIF | C10 H9 Cu I N | P -1 | 4.2509; 9.6194; 10.3932 88.661; 85.739; 80.044 | 417.41 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7155026 | CIF | C18 H15 Br F3 N O | P 1 | 5.0171; 8.347; 10.439 101.211; 102.192; 91.033 | 418.4 | Ikeda, Kazunori; Futamura, Takashi; Hanakawa, Taisyun; Minakawa, Maki; Kawatsura, Motoi Palladium-catalyzed enantioselective allylic alkylation of trifluoromethyl group substituted racemic and acyclic unsymmetrical 1,3-disubstituted allylic esters with malonate anions. Organic & biomolecular chemistry, 2016, 14, 3501-3505 |
| 7226861 | CIF | C13 H14 Hg I2 N4 O2 | P 1 | 7.6855; 7.8344; 8.1579 91.15; 104.78; 116.81 | 418.7 | Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds CrystEngComm, 2016, 18, 9056 |
| 7055518 | CIF | C4 H6 N6 O5 | P 1 21 1 | 6.761; 5.5064; 11.3925 90; 97.072; 90 | 420.9 | Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines New J. Chem., 2016, 40, 6059 |
| 7223892 | CIF | Fe S8 V4 | I 1 2/m 1 | 7.9; 6.6425; 8.0327 90; 91.202; 90 | 421.43 | Sui, Lifang; Zhang, Xian; Tian, Zhangliu; Huang, Rongtie; Zhang, Hui; Cheng, Jinrong; Huang, Fu Qiang Synthesis, Crystal Structure and Physical Properties of FeV4S8 and KFe2V8S16 RSC Adv., 2016 |
| 7224793 | CIF | C10 H14 N2 O | P -1 | 10.037; 7.0477; 6.6292 115.381; 94.711; 90.103 | 421.88 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 7224981 | CIF | C16 H28 N6 | P -1 | 6.912; 8.356; 8.844 110.9; 97.94; 111.5 | 422.2 | Hornung, Julius; Hübner, Olaf; Kaifer, Elisabeth; Himmel, Hans-Jörg Bent and twisted: the electronic structure of 2-azapropenylium ions obtained by guanidine oxidation RSC Adv., 2016, 6, 39323 |
| 7226153 | CIF | C4 Cu K2 O8 | P 1 21/n 1 | 4.8886; 6.6448; 13.171 90; 96.305; 90 | 425.26 | Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D. Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration CrystEngComm, 2016, 18, 5062 |
| 2107484 | CIF HKL Paper | C6 H6 N4 O4 | P 1 21 1 | 4.1964; 7.0129; 14.4528 90; 90.924; 90 | 425.28 | Pogoda, Dorota; Janczak, Jan; Videnova-Adrabinska, Veneta New polymorphs of an old drug: conformational and synthon polymorphism of 5-nitrofurazone Acta Crystallographica Section B, 2016, 72, 263-273 |
| 7040388 | CIF | K2 O18 Te4 U3 | P -1 | 6.8463; 7.0274; 9.4044 73.579; 81.098; 81.761 | 426.41 | Xiao, Bin; Kegler, Philip; Bosbach, Dirk; Alekseev, Evgeny V. Investigation of reactivity and structure formation in a K-Te-U oxo-system under high-temperature/high-pressure conditions. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15225-15235 |
| 4347898 | CIF | B3 Be6 F3 O9 | R -3 c :H | 4.4426; 4.4426; 24.956 90; 90; 120 | 426.56 | Guo, Shu; Liu, Lijuan; Xia, Mingjun; Kang, Lei; Huang, Qian; Li, Chao; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian Be2BO3F: A Phase of Beryllium Fluoride Borate Derived from KBe2BO3F2 with Short UV Absorption Edge. Inorganic chemistry, 2016, 55, 6586-6591 |
| 7223846 | CIF | C12 H22 O2 Pd S4 | P -1 | 6.5622; 6.8643; 9.8385 84.811; 76.424; 83.388 | 427 | Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials CrystEngComm, 2016, 18, 1105 |
| 4347939 | CIF | C10 H9 Cu I N | P -1 | 4.2816; 9.6687; 10.5131 88.493; 85.206; 80.047 | 427.14 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 4130314 | CIF | C10 H8 F2 O2 | P 1 | 5.4814; 8.5363; 10.1397 71.243; 75.321; 76.523 | 428.59 | Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans. Journal of the American Chemical Society, 2016, 138, 4014-4017 |
| 7055511 | CIF | C4 H7 N7 O4 | P -1 | 6.3027; 6.8628; 10.6253 72.876; 87.968; 77.54 | 428.68 | Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines New J. Chem., 2016, 40, 6059 |
| 7223939 | CIF | C3 H7 N O2 | P 21 21 21 | 5.779; 6.031; 12.318 90; 90; 90 | 429.3 | Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer CrystEngComm, 2016, 18, 2404 |
| 7223940 | CIF | C3 H7 N O2 | P 21 21 21 | 5.7772; 6.035; 12.316 90; 90; 90 | 429.4 | Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer CrystEngComm, 2016, 18, 2404 |
| 7223845 | CIF | C12 H22 O2 Pd S4 | P -1 | 6.882; 7.3531; 10.0455 70.305; 70.788; 67.164 | 429.42 | Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials CrystEngComm, 2016, 18, 1105 |
| 7039025 | CIF | C8 H11 N O2 Zn | P 1 21/m 1 | 8.517; 6.232; 8.78 90; 112.358; 90 | 430.99 | Wróbel, Zbigniew; Justyniak, Iwona; Dranka, Izabela; Lewiński, Janusz Structural diversity of alkylzinc complexes with pyrrole-based N,O-ligands: from molecular complexes to coordination polymers. Dalton transactions (Cambridge, England : 2003), 2016, 45, 7240-7243 |
| 7227108 | CIF | C3 H8 Mn N2 O6 | P 63 | 7.988; 7.988; 7.807 90; 90; 120 | 431.4 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 1549550 | CIF | C H5.2 Cu O4.6 P | C 1 2/m 1 | 14.836; 6.6844; 4.363 90; 93.28; 90 | 431.97 | Köferstein, Roberto; Arnold, Michael; Robl, Christian A Novel Three-Dimensional Copper(II) 1,2-Ethylenediphosphonate Framework with Channel-like Voids Zeitschrift für anorganische und allgemeine Chemie, 2016, 642, 1126 |
| 2241462 | CIF HKL Paper | C7 H2 Br3 N | P 1 21/m 1 | 4.8742; 10.247; 8.683 90; 94.97; 90 | 432 | Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J. Two new polytypes of 2,4,6-tribromobenzonitrile Acta Crystallographica Section E, 2016, 72, 178-183 |
| 1561341 | CIF | C6 H7 Hg O4 P | P m n 21 | 5.886; 14.422; 5.092 90; 90; 90 | 432.2 | Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates Journal of Solid State Chemistry, 2016, 243, 83-94 |
| 1543755 | CIF HKL Paper | C6 H7 N5 S | P -1 | 6.238; 7.234; 10.887 103.331; 92.329; 113.846 | 432.3 | El Bakri, Youness; Harmaoui, Abdallah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen 6-Methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-thione IUCrData, 2016, 1 |
| 4002661 | CIF | O2 Sb2 Se3 Sr2 | P 1 21/c 1 | 9.42424; 4.05707; 13.34148 90; 121.955; 90 | 432.809 | Panella, Jessica R.; Chamorro, Juan; McQueen, Tyrel M. Synthesis and Structure of Three New Oxychalcogenides: A2O2Bi2Se3(A = Sr, Ba) and Sr2O2Sb2Se3 Chemistry of Materials, 2016, 28, 890 |
| 7225909 | CIF | C22 H12 S4 | P -1 | 3.9274; 7.167; 15.716 83.267; 89.379; 80.859 | 433.7 | Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.; Rovira, Concepció; Mas-Torrent, Marta Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors. CrystEngComm, 2016, 18, 6149-6152 |
| 4347938 | CIF | C10 H9 Cu I N | P -1 | 4.3025; 9.705; 10.594 88.464; 84.857; 80.103 | 433.99 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 1544636 | CIF | As H O5 Zn2 | P n n m | 8.3428; 8.566; 6.0769 90; 90; 90 | 434.28 | Jinnouchi, S.; Yoshiasa, A.; Sugiyama, K.; Shimura, R.; Arima, H.; Momma, K.; Miyawaki, R. Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite Journal of Mineralogical and Petrological Sciences, 2016, 111, 35-43 |
| 7224792 | CIF | C10 H14 N2 O | P -1 | 10.11; 7.1; 6.6984 114.72; 94.61; 90.202 | 435 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 1555870 | CIF | C20 H21 N O2 | P 1 | 7.0663; 8.3624; 8.9048 115.442; 109.848; 92.591 | 435.48 | Guo, Jing; Lin, Lili; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Feng, Xiaoming Nickel(II)-Catalyzed Enantioselective α-Vinylation of β-Keto Amides/Esters with Hypervalent Iodine Salts. Organic letters, 2016, 18, 5540-5543 |
| 2241627 | CIF HKL Paper | C8 H8 N6 | P 1 21/n 1 | 5.0618; 14.6282; 6.1294 90; 106.321; 90 | 435.56 | Lee, Chia-Hwa; Lee, Gene-Hsiang Crystal structure of 1,2-bis[(1<i>H</i>-imidazol-2-yl)methylidene]hydrazine and its one-dimensional hydrogen-bonding network Acta Crystallographica Section E, 2016, 72, 556-558 |
| 2241935 | CIF HKL Paper | C9 H8 Br N | P 1 21/m 1 | 4.0382; 8.9362; 12.1015 90; 93.763; 90 | 435.76 | Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain Crystal structures of <i>p</i>-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} <i>Z</i>' {łeq} 4 Acta Crystallographica Section E, 2016, 72, 1762-1767 |
| 4347937 | CIF | C10 H9 Cu I N | P -1 | 4.3086; 9.7205; 10.6226 88.411; 84.745; 80.039 | 436.31 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7226506 | CIF | C H2 Hg N5 | P 1 21/c 1 | 5.0952; 13.021; 6.8264 90; 105.26; 90 | 436.93 | Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands CrystEngComm, 2016, 18, 7865 |
| 2107965 | CIF Paper | C3 H3 N3 O2 | P 1 21/c 1 | 7.3215; 9.8106; 6.7539 90; 115.71; 90 | 437.095 | Kalaiarasi, Chinnasamy; Pavan, Mysore S.; Kumaradhas, Poomani Topological characterization of electron density, electrostatic potential and intermolecular interactions of 2-nitroimidazole: an experimental and theoretical study Acta Crystallographica Section B, 2016, 72, 775-786 |
| 2241944 | CIF HKL Paper | C4 H8 Cu N2 O8 | P 1 21/c 1 | 4.8564; 13.5188; 6.7205 90; 96.992; 90 | 437.94 | Dickie, Diane A.; Kemp, Richard A. Crystal structure of <i>catena</i>-poly[diammonium [di-μ-oxalato-cuprate(II)]] Acta Crystallographica Section E, 2016, 72, 1780-1782 |
| 4002662 | CIF | Bi2 O2 Se3 Sr2 | P 1 21/c 1 | 9.49954; 4.084794; 13.43734 90; 122.861; 90 | 437.984 | Panella, Jessica R.; Chamorro, Juan; McQueen, Tyrel M. Synthesis and Structure of Three New Oxychalcogenides: A2O2Bi2Se3(A = Sr, Ba) and Sr2O2Sb2Se3 Chemistry of Materials, 2016, 28, 890 |
| 7235015 | CIF | C4.5 H5 N O0.5 | P -1 | 5.016; 5.466; 16.124 93.12; 96.16; 93.03 | 438.11 | Yang-Hui Luo; Qing-Ling Liu; Li-Jing Yang; Yu Sun; Jin-Wen Wang; Chao-Qun You; Bai-Wang Sun Magnetic observation of above room-temperature spin transition in vesicular nano-spheres Journal of Materials Chemistry C, 2016, 4, 8061-8069 |
| 1543238 | CIF | Li5.05 S12 Sn4.74 | C 1 2/m 1 | 19.217; 3.6996; 6.529 90; 109.056; 90 | 438.7 | Holzmann, T.; Schoop, L. M.; Ali, M. N.; Moudrakovski, I.; Gregori, G.; Maier, J.; Cava, R. J.; Lotsch, B. V. Li0.6[Li0.2Sn0.8S2] ‒ a layered lithium superionic conductor Energy Environ. Sci., 2016, 9, 2578 |
| 8106999 | CIF | C17 H20 F2 N4 O3 S | P 1 | 6.002; 6.765; 11.831 89.39; 86.29; 66.5 | 439.55 | Wang, Kun-Yan; Yang, Xiao-Li This molecule targets at type 2 diabetes - a single crystal study on (2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl] tetrahydro-2H-pyran-3-amine (Omarigliptin), C17H20F2N4O3S Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 763-765 |
| 4031934 | CIF | C9 H14 O3 | P -1 | 6.1436; 6.8104; 10.8156 87.661; 78.156; 83.52 | 439.99 | Li, Yuanzhen; Yang, Shuang; Wen, Genfa; Lin, Qiqiao; Zhang, Guoxiang; Qiu, Lin; Zhang, Xiaoyan; Du, Guangfen; Fang, Xinqiang Asymmetric Desymmetrization of 1,3-Diketones via Intramolecular Benzoin Reaction. The Journal of organic chemistry, 2016, 81, 2763-2769 |
| 1551598 | CIF | C10 H12 N2 O | P 1 21 1 | 6.345; 9.631; 7.805 90; 112.462; 90 | 440.8 | MITSUHASHI, Ryoji; UEDA, Takaaki; HOSOYA, Satoshi; MIKURIYA, Masahiro Synthesis and Crystal Structure of (<i>R</i>)-2-(4-Methylimidazolin-2-yl)phenol X-ray Structure Analysis Online, 2016, 32, 59 |
| 1543474 | CIF HKL Paper | C9 H7 N3 O3 | P -1 | 7.6004; 7.92; 9.3621 113.02; 91.404; 118.35 | 440.83 | Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 1-(5-Nitro-1<i>H</i>-indazol-1-yl)ethanone IUCrData, 2016, 1, x160939 |
| 4347936 | CIF | C10 H9 Cu I N | P -1 | 4.3221; 9.7472; 10.683 88.353; 84.421; 80.102 | 441.23 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7224190 | CIF | C8 H5 Fe N O2 S | P 1 21/m 1 | 6.324; 8.9082; 7.8468 90; 91.684; 90 | 441.86 | Poh, Hwa Tiong; Ho, Chi Lui Paul; Fan, Wai Yip Cyclopentadienyl iron dicarbonyl (CpFe(CO)2) derivatives as apoptosis-inducing agents RSC Adv., 2016 |
| 7225499 | CIF | C3 H10 N10 O | P -1 | 3.805; 7.898; 15.015 84.83; 82.81; 83.49 | 443.5 | chen, fuxue; Wang, Qi; Lu, Huijie; Pang, Fu-Qing; Huang, Jinglun; Nie, Fude Nitrogen-rich hypergolic ionic salts based on (2-methyltetrazol-5-yl)diazotates RSC Adv., 2016 |
| 4003232 | CIF | C3 Ca2 F Na3 O9 | C 1 m 1 | 8.0892; 15.9002; 3.5273 90; 101.662; 90 | 444.32 | Luo, Min; Song, Yunxia; Lin, Chensheng; Ye, Ning; Cheng, Wendan; Long, XiFa Molecular Engineering as an Approach To Design a New Beryllium-Free Fluoride Carbonate as a Deep-Ultraviolet Nonlinear Optical Material Chemistry of Materials, 2016, 28, 2301 |
| 7055225 | CIF | B3 Cd4 Nd O10 | C 1 m 1 | 8.0536; 15.872; 3.5364 90; 100.268; 90 | 444.81 | Wang, Xing; Xia, Mingjun; Li, R. K. Two potential self-activated orthoborates Cd4NdO(BO3)3and Ca3Nd3(BO3)5: growth, crystal structures and optical properties New J. Chem., 2016, 40, 2057 |
| 7223847 | CIF | C12 H22 O2 Pd S4 | P -1 | 6.2746; 6.3302; 11.4138 79.69; 88.152; 86.065 | 444.89 | Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials CrystEngComm, 2016, 18, 1105 |
| 2241936 | CIF HKL Paper | C8 H8 Br N O2 | P -1 | 4.0502; 9.3817; 12.1823 93.498; 99.284; 101.722 | 445.2 | Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain Crystal structures of <i>p</i>-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} <i>Z</i>' {łeq} 4 Acta Crystallographica Section E, 2016, 72, 1762-1767 |
| 7055831 | CIF | Eu S3 Zr | P n m a | 8.465; 3.8075; 13.823 90; 90; 90 | 445.5 | Guo, Sheng-Ping; Chi, Yang; Zou, Jian-Ping; Xue, Huai-Guo Crystal and electronic structures, and photoluminescence and photocatalytic properties of α-EuZrS3 New J. Chem., 2016, 40, 10219 |
| 1542472 | CIF HKL | C16 H20 N2 O8 | P -1 | 5.4194; 9.0619; 9.4607 81.285; 82.771; 77.208 | 445.8 | Wang, Yi; Stoeckli-Evans, Helen Tetraethyl pyrazine-2,3,5,6-tetracarboxylate IUCrData, 2016, 1, x152174 |
| 4129760 | CIF | C4 Mn16 Si | C 1 2/m 1 | 10.28; 7.7913; 6.3715 90; 119.12; 90 | 445.8 | Fredrickson, Rie T.; Guo, Yiming; Fredrickson, Daniel C. Epitaxial Stabilization between Intermetallic and Carbide Domains in the Structures of Mn16SiC4 and Mn17Si2C4. Journal of the American Chemical Society, 2016, 138, 248-256 |
| 2311854 | CIF | C11 H9 N O2 | P -1 | 5.0425; 9.0386; 10.1045 91.6608; 97.6593; 101.081 | 447.21 | Schirmer, Marie Luis; Spannenberg, Anke; Werner, Thomas Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (E)-3-benzylidenepyrrolidine-2,5-dione, (E)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (E)-3-benzylidene-1-tert-butylpyrrolidine-2,5-dione. Acta crystallographica. Section C, Structural chemistry, 2016, 72, 504-508 |
| 4347935 | CIF | C10 H9 Cu I N | P -1 | 4.3399; 9.782; 10.7842 88.265; 84.017; 80.082 | 448.49 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 4130231 | CIF | C7 H10 B N O4 | P -1 | 3.7693; 8.5103; 14.0577 93.315; 91.465; 94.628 | 448.51 | Mfuh, Adelphe M.; Doyle, John D.; Chhetri, Bhuwan; Arman, Hadi D.; Larionov, Oleg V. Scalable, Metal- and Additive-Free, Photoinduced Borylation of Haloarenes and Quaternary Arylammonium Salts. Journal of the American Chemical Society, 2016, 138, 2985-2988 |
| 7226440 | CIF | C4 H6 N6 O6 | P -1 | 5.0574; 9.395; 9.872 100.11; 97.281; 100.102 | 448.6 | Li, Yanan; Shu, Yuan-jie; Wang, Bozhou; Zhang, Shengyong; Zhai, Lian-jie Synthesis, structure and properties of neutral energetic materials based on N-functionalization of 3,6-dinitropyrazolo[4,3-c]pyrazole RSC Adv., 2016 |
| 7224191 | CIF | C8 H5 Fe N O2 S | P -1 | 6.798; 7.024; 10.813 93.169; 95.036; 118.514 | 449.1 | Poh, Hwa Tiong; Ho, Chi Lui Paul; Fan, Wai Yip Cyclopentadienyl iron dicarbonyl (CpFe(CO)2) derivatives as apoptosis-inducing agents RSC Adv., 2016 |
| 7037269 | CIF | K0.94 Se2 Tl1.06 | I 4/m c m | 8.0075; 8.0075; 7.0104 90; 90; 90 | 449.51 | Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S. Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion. Dalton transactions (Cambridge, England : 2003), 2016, 45, 5958-5967 |
| 7225837 | CIF | B6 Ca8 La0.18 O20 Y1.81 | C 1 m 1 | 8.0806; 16.0141; 3.5431 90; 101.206; 90 | 449.75 | Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals CrystEngComm, 2016, 18, 6205 |
| 4129909 | CIF | C6 H12 B F4 N O2 | P -1 | 5.4701; 7.6337; 11.2184 103.512; 91.167; 98.484 | 449.76 | Liniger, Marc; VanderVelde, David G.; Takase, Michael K.; Shahgholi, Mona; Stoltz, Brian M. Total Synthesis and Characterization of 7-Hypoquinuclidonium Tetrafluoroborate and 7-Hypoquinuclidone BF3 Complex. Journal of the American Chemical Society, 2016, 138, 969-974 |
| 7224993 | CIF | C16 H10 N6 S4 | P -1 | 5.3638; 7.2562; 12.7329 77.773; 80.204; 69.11 | 450.06 | Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt CrystEngComm, 2016, 18, 3925 |
| 7236143 | CIF | C4 H8 N8 O4 | P -1 | 5.4748; 9.655; 9.881 66.29; 75.35; 72.33 | 450.5 | Liu, Qiangqiang; Jin, Bo; Peng, Rufang; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun; Shang, Yu Synthesis, characterization and properties of nitrogen-rich compounds based on cyanuric acid: a promising design in the development of new energetic materials Journal of Materials Chemistry A, 2016, 4, 4971 |
| 4124954 | CIF HKL | Ca1.44 Mg1.44 Na2.56 O24 Sc2.56 Si8 | C 1 2/c 1 | 9.8048; 9.0206; 5.31486 90; 106.544; 90 | 450.61 | Zhiguo Xia; Guokui Liu; Jianguo Wen; Zhigang Mei; Mahalingam Balasubramanian; Maxim S. Molokeev; Licong Peng; Lin Gu; Dean J. Miller; Quanlin Liu; Kenneth R. Poeppelmeier Tuning of Photoluminescence by Cation Nanosegregation in the (CaMg)x(NaSc)1-xSi2O6 Solid Solution Journal of the American Chemical Society, 2016, 138, 1158-1161 |
| 2311331 | CIF | C6 H6 K Na O7 | P -1 | 5.9993; 8.2277; 10.1419 74.8964; 76.0187; 71.4496 | 451.264 | Rammohan, Alagappa; Kaduk, James A. Sodium potassium hydrogen citrate, NaKHC6H5O7. Acta crystallographica. Section E, Crystallographic communications, 2016, 72, 170-173 |
| 2311330 | CIF Paper | C6 H6 K Na O7 | P -1 | 5.99933; 8.2277; 10.1419 74.8964; 76.019; 71.4496 | 451.27 | Rammohan, Alagappa; Kaduk, James A. Sodium potassium hydrogen citrate, NaKHC6H5O7. Acta crystallographica. Section E, Crystallographic communications, 2016, 72, 170-173 |
| 7037848 | CIF | C4 H8 N10 O2 | P -1 | 7.7212; 8.2866; 8.3755 62.684; 71.571; 83.253 | 451.47 | Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3590-3598 |
| 7224738 | CIF | C22 H12 Mn O8 | P -1 | 4.804; 9.8809; 10.0661 75.987; 81.807; 79.391 | 453.26 | Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands CrystEngComm, 2016, 18, 3086 |
| 4348318 | CIF | C6 H8 F5 N S | P -1 | 7.261; 8.419; 8.705 61.9; 82.15; 75.28 | 453.9 | Goettel, James T.; Kostiuk, Nathan; Gerken, Michael Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF. Inorganic chemistry, 2016, 55, 7126-7134 |
| 7037341 | CIF | C10 H10 N2 O2 | P -1 | 7.79; 7.974; 8.279 93.24; 115.09; 99.95 | 453.9 | Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar Group 13 metal complexes containing the bis-(4-methylbenzoxazol-2-yl)-methanide ligand. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6149-6158 |
| 7223913 | CIF | C21 H15 N O9 | P 1 | 12.6465; 7.9602; 5.3536 58.9404; 92.1712; 99.689 | 454.322 | Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization. CrystEngComm, 2016 |
| 4130427 | CIF | C12 H16 Ni S8 | P 1 | 6.9784; 7.8994; 9.217 70.105; 75.451; 75.277 | 454.44 | Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes. Journal of the American Chemical Society, 2016, 138, 6838-6851 |
| 2241960 | CIF HKL | C7 H5 Cl2 F N2 O3 | P -1 | 7.1116; 7.6131; 8.9414 86.927; 80.354; 72.587 | 455.38 | Park, Hyunjin; Choi, Myong Yong; Kwon, Eunjin; Kim, Tae Ho Crystal structure of fluroxypyr Acta Crystallographica Section E, 2016, 72, 1836-1838 |
| 1544304 | CIF | C18 H22 N4 O4 | P -1 | 7.7923; 7.9651; 8.4455 102.627; 95.961; 114.174 | 455.51 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 7225838 | CIF | B3 Ca4.03 La0.11 O10 Y0.86 | C 1 m 1 | 8.1214; 16.1024; 3.5623 90; 101.211; 90 | 456.97 | Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals CrystEngComm, 2016, 18, 6205 |
| 7118284 | CIF | C2 H2 N4 O12 | P 1 21/c 1 | 7.5489; 7.2995; 8.3759 90; 97.935; 90 | 457.12 | Fischer, Dennis; Klapötke, Thomas M; Stierstorfer, Jörg Tetranitratoethane. Chemical communications (Cambridge, England), 2016, 52, 916-918 |
| 4036814 | CIF | C8 H7 N5 O2 | P -1 | 7.0745; 7.2465; 10.1757 76.6471; 71.3133; 68.9809 | 457.29 | Imai, Taro; Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo Preparation of 5-Aryl-2-Alkyltetrazoles with Aromatic Aldehydes, Alkylhydrazine, Di-tert-butyl Azodicarboxylate, and [Bis(trifluoroacetoxy)iodo]benzene. The Journal of organic chemistry, 2016, 81, 3975-3980 |
| 1561343 | CIF | C6 H7 As Hg O4 | P m n 21 | 5.957; 14.76; 5.219 90; 90; 90 | 458.88 | Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates Journal of Solid State Chemistry, 2016, 243, 83-94 |
| 4347934 | CIF | C10 H9 Cu I N | P -1 | 4.3661; 9.84; 10.923 88.206; 83.346; 80.104 | 459.15 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7226509 | CIF | C7 H6 Hg N6 O2 | P m m a | 7.2488; 6.2654; 10.1326 90; 90; 90 | 460.19 | Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands CrystEngComm, 2016, 18, 7865 |
| 7234875 | CIF | Co Gd3 Ni | C 1 2/m 1 | 13.407; 3.8118; 9.5351 90; 109.079; 90 | 460.52 | Alessia Provino; Volodymyr Smetana; Durga Paudyal; Karl A. Gschneidner, Jr.; Anja-Verena Mudring; Vitalij K. Pecharsky; Pietro Manfrinetti; Marina Putti Gd3Ni2 and Gd3CoxNi2-x: magnetism and unexpected Co/Ni crystallographic ordering Journal of Materials Chemistry C, 2016, 4, 6078-6089 |
| 7226098 | CIF | C8 H12 O6 | P 1 21/c 1 | 7.8642; 4.0675; 14.5155 90; 96.896; 90 | 460.96 | Sølvhøj, Amanda; Taarning, Esben; Madsen, Robert Methyl vinyl glycolate as a diverse platform molecule Green Chem., 2016, 18, 5448 |
| 1561615 | CIF | Ba F2 Mn O4 P | P 1 21/c 1 | 5.1463; 12.691; 7.8709 90; 116.24; 90 | 461.09 | Pei, Da-Ting; Sun, Wei; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao Novel phosphate halides BaMnIII[PO4]FCl and BaMnIII[PO4]F2: Effects of mixed halides on crystal structures and magnetic properties Journal of Solid State Chemistry, 2016, 234, 29-35 |
| 7037637 | CIF | C4 H14 Ni O8 | P 1 21/c 1 | 4.74771; 11.7147; 8.3144 90; 93.055; 90 | 461.77 | Möller, F; Merz, K.; Herrmann, C.; Apfel, U.-P. Bimetallic nickel complexes for selective CO2 carbon capture and sequestration. Dalton transactions (Cambridge, England : 2003), 2016, 45, 904-907 |
| 4348823 | CIF | C12 Co O20 U | P -1 | 6.3037; 8.3564; 9.1115 97.919; 91.438; 103.204 | 462.018 | Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process. Inorganic chemistry, 2016, 55, 10453-10466 |
| 4347933 | CIF | C10 H9 Cu I N | P -1 | 4.3745; 9.863; 10.963 88.206; 83.14; 80.11 | 462.61 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7225701 | CIF | C7 H13 N O2 S2 | P 1 21 1 | 6.4993; 8.663; 8.5034 90; 104.738; 90 | 463.02 | Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M. Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids CrystEngComm, 2016, 18, 5686 |
| 7055270 | CIF | C12 H20 Au F6 N4 Sb | P -1 | 7.45; 7.938; 8.481 89.041; 84.027; 68.263 | 463.2 | Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding New J. Chem., 2016, 40, 1944 |
| 7225708 | CIF | C6 H13 N O3 S2 | P 1 21 1 | 6.6882; 8.6039; 8.0793 90; 94.507; 90 | 463.48 | Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M. Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids CrystEngComm, 2016, 18, 5686 |
| 7234874 | CIF | Gd3 Ni2 | C 1 2/m 1 | 13.445; 3.727; 9.646 90; 106.44; 90 | 463.6 | Alessia Provino; Volodymyr Smetana; Durga Paudyal; Karl A. Gschneidner, Jr.; Anja-Verena Mudring; Vitalij K. Pecharsky; Pietro Manfrinetti; Marina Putti Gd3Ni2 and Gd3CoxNi2-x: magnetism and unexpected Co/Ni crystallographic ordering Journal of Materials Chemistry C, 2016, 4, 6078-6089 |
| 7224789 | CIF | C11 H16 N2 O | P -1 | 6.926; 8.343; 9.223 66.57; 81.99; 72.07 | 465.2 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 4130426 | CIF | C12 H16 Au S8 | P 1 | 6.957; 7.938; 9.378 73.394; 74.625; 73.189 | 465.6 | Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes. Journal of the American Chemical Society, 2016, 138, 6838-6851 |
| 1544525 | CIF HKL Paper | C8 H11 N O4 S | P 1 21/m 1 | 8.0644; 6.941; 8.6192 90; 105.039; 90 | 465.94 | Kennedy, Alan R.; Silva de Moraes, Lygia 4-Ammonio-5-methoxy-2-methylbenzenesulfonate IUCrData, 2016, 1, x161778 |
| 4036513 | CIF | C10 H9 Cl O3 | P -1 | 5.1208; 7.8498; 11.9863 99.256; 91.114; 100.217 | 467.43 | Olomola, Temitope O.; Klein, Rosalyn; Caira, Mino R.; Kaye, Perry T. Elucidating Latent Mechanistic Complexity in Competing Acid-Catalyzed Reactions of Salicylaldehyde-Derived Baylis-Hillman Adducts. The Journal of organic chemistry, 2016, 81, 109-120 |
| 7041100 | CIF | C4 H4 N6 O7 | P -1 | 7.416; 7.5385; 9.0347 70.713; 80.1; 81.601 | 467.47 | Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C. Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18909-18920 |
| 7225890 | CIF | C14 H18 Br Cl N4 O8 | P 1 | 8.1185; 8.2996; 8.8998 100.911; 106.931; 117.952 | 467.58 | Spaniol, Jacqueline M.; Wheeler, Kraig A. Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition RSC Adv., 2016, 6, 64921 |
| 7225887 | CIF | C7 H9 Br N2 O4 | P -1 | 8.0994; 8.3605; 8.8967 101.264; 106.468; 118.411 | 467.59 | Spaniol, Jacqueline M.; Wheeler, Kraig A. Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition RSC Adv., 2016, 6, 64921 |
| 2241822 | CIF HKL Paper | B2 Ba Mn O5 | P 1 21/c 1 | 8.2868; 8.657; 6.5263 90; 92.87; 90 | 467.6 | Maschmeyer, Elizabeth M.; Sanjeewa, Liurukara D.; Ranmohotti, Kulugammana G. S. Crystal structure of BaMnB~2~O~5~ containing structurally isolated manganese oxide sheets Acta Crystallographica Section E, 2016, 72, 1315-1320 |
| 7039241 | CIF | C16 H22 N4 O6 U | P -1 | 7.5311; 8.3134; 9.0115 71.652; 66.613; 66.9 | 467.8 | Tsantis, Sokratis T.; Zagoraiou, Eirini; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Psycharis, Vassilis; Szyrwiel, Lukasz; Hołyńska, Małgorzata; Perlepes, Spyros P. Binding of oxime group to uranyl ion. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9307-9319 |
| 7039114 | CIF | Cl4 Cu7 Na2 O14 Se4 | P -1 | 7.446; 8.349; 9.137 110.335; 106.166; 105.161 | 469.3 | Tang, Yingying; Guo, Wenbin; Zhang, Suyun; Xiang, Hongping; Cui, Meiyan; He, Zhangzhen Na2Cu7(SeO3)4O2Cl4: a selenite chloride compound with Cu7 units showing spin-frustration and a magnetization plateau. Dalton transactions (Cambridge, England : 2003), 2016, 45, 8324-8326 |
| 2020522 | CIF HKL Paper | C11 H13 N O | P 1 21 1 | 6.2155; 8.7681; 8.9686 90; 106.14; 90 | 469.51 | Donkeng Dazie, Joel; Liška, Alan; Ludvík, Jiří; Fábry, Jan; Dušek, Michal A study of the planarity of the pyrrolone fragment in 2-isopropyl-2,3-dihydro-1<i>H</i>-isoindol-1-one Acta Crystallographica Section C, 2016, 72, 518-524 |
| 4347528 | CIF | C14 H18 Cu Mg N2 O14 | P -1 | 7.353; 7.3876; 10.1154 73.526; 88.665; 63.878 | 469.8 | Saha, Debraj; Hazra, Dipak K.; Maity, Tanmoy; Koner, Subratanath Heterometallic Metal-Organic Frameworks That Catalyze Two Different Reactions Sequentially. Inorganic chemistry, 2016, 55, 5729-5731 |
| 7225706 | CIF | C7 H13 N O3 S2 | P 1 | 6.8616; 8.8688; 8.9458 66.923; 70.122; 85.373 | 470.12 | Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M. Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids CrystEngComm, 2016, 18, 5686 |
| 2107630 | CIF HKL Paper | C11 H19 N | P 1 21/m 1 | 8.2451; 6.5202; 8.8214 90; 96.509; 90 | 471.18 | Mohamed, Sharmarke; Karothu, Durga Prasad; Naumov, Panče Using crystal structure prediction to rationalize the hydration propensities of substituted adamantane hydrochloride salts Acta Crystallographica Section B, 2016, 72, 551-561 |
| 1542283 | CIF | C12 H26 In2 O6 | P 1 | 6.9927; 8.3025; 8.4128 76.086; 83.924; 87.628 | 471.36 | Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M. Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides Polym. Chem., 2016, 7, 2022 |
| 7226794 | CIF | C8 H14 N16 Na2 O6 | P -1 | 6.766; 7.2849; 10.7541 109.069; 98.932; 103.404 | 471.7 | Qin, Jian; Li, Tong; Zhang, Jianguo; Zhang, Zhibin Nitrogen-rich energetic compounds of 4-carboxamide-5-(1H-tetrazol-5-yl)-1H-1,2,3-triazole and its 1D sodium complex: synthesis and properties RSC Adv., 2016 |
| 7038830 | CIF | C20 H12 P2 S4 | P -1 | 7.5926; 7.7769; 9.5253 100.33; 112.832; 105.952 | 471.75 | Kirst, Christin; Bode, Bela E.; Cordes, David B.; Nejman, Phillip S.; Slawin, Alexandra M. Z.; Karaghiosoff, Konstantin; Woollins, J. Derek Diphosphane 2,2'-binaphtho[1,8-de][1,3,2]dithiaphosphinine and the easy formation of a stable phosphorus radical cation. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6348-6351 |
| 4037029 | CIF | C9 H11 N O2 S | P 1 n 1 | 5.641; 8.206; 10.243 90; 94.7605; 90 | 472.5 | Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z. Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one. The Journal of organic chemistry, 2016, 81, 10527-10531 |
| 2311333 | CIF | C6 H5 K2 Na O7 | P -1 | 5.5128; 7.6258; 11.3712 83.4276; 88.991; 84.3488 | 472.58 | Rammohan, Alagappa; Kaduk, James A. Sodium dipotassium citrate, NaK2C6H5O7. Acta crystallographica. Section E, Crystallographic communications, 2016, 72, 403-406 |
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